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 2qoe_1_A DATA FIRST_RESID 39 DATA SEQUENCE TRKTYTLTDY LKNTYRLKLY SLRWISDHEY LYKQENNILV FNAEYGNSSV DATA SEQUENCE FLENSTFDEF GHSINDYSIS PDGQFILLEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWVTWS PVGHKLAYVW NNDIYVKIEP NLPSYRITWT DATA SEQUENCE GKEDIIYNGI TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRVPYPK AGAVNPTVKF FVVNTDSLSS VTNATSIQIT DATA SEQUENCE APASMLIGDH YLCDVTWATQ ERISLQWLRR IQNYSVMDIc DYDESSGRWN DATA SEQUENCE cLVARQHIEM STTGWVGRFR PSEPHFTLDG NSFYKIISNE EGYRHIcYFQ DATA SEQUENCE IDKKDcTFIT KGTWEVIGIE ALTSDYLYYI SNEYKGMPGG RNLYKIQLSD DATA SEQUENCE YTKVTCLSCE LNPERcQYYS VSFSKEAKYY QLRcSGPGLP LYTLHSSVND DATA SEQUENCE KGLRVLEDNS ALDKMLQNVQ MPSKKLDFII LNETKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLLDVYA GPCSQKADTV FRLNWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE AARQFSKMGF VDNKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGSGSGVFK cGIAVAPVSR WEYYDSVYTE RYMGLPTPED NLDHYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ ISKALVDVGV DFQAMWYTDE DATA SEQUENCE DHGIASSTAH QHIYTHMSHF IKQcFSLP 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 39 T HA 0.000 nan 4.350 nan 0.000 0.228 39 T C 0.000 174.736 174.700 0.060 0.000 1.109 39 T CA 0.000 62.126 62.100 0.044 0.000 1.349 39 T CB 0.000 68.888 68.868 0.034 0.000 0.612 40 R N 3.779 124.324 120.500 0.074 0.000 2.637 40 R HA 0.525 4.866 4.340 0.001 0.000 0.269 40 R C 0.326 176.683 176.300 0.095 0.000 1.089 40 R CA -0.878 55.271 56.100 0.083 0.000 1.177 40 R CB 0.748 31.097 30.300 0.083 0.000 1.091 40 R HN 0.715 nan 8.270 nan 0.000 0.540 41 K N 0.349 120.811 120.400 0.103 0.000 2.149 41 K HA 0.146 4.467 4.320 0.001 0.000 0.245 41 K C -0.103 176.575 176.600 0.129 0.000 1.024 41 K CA -0.498 55.858 56.287 0.116 0.000 0.899 41 K CB 0.469 33.047 32.500 0.130 0.000 1.038 41 K HN 0.791 nan 8.250 nan 0.000 0.496 42 T N -2.369 112.271 114.554 0.143 0.000 2.948 42 T HA 0.169 4.519 4.350 0.001 0.000 0.285 42 T C -0.761 174.072 174.700 0.222 0.000 1.019 42 T CA -0.828 61.371 62.100 0.165 0.000 1.013 42 T CB 0.594 69.556 68.868 0.157 0.000 1.117 42 T HN 0.534 nan 8.240 nan 0.000 0.533 43 Y N 2.550 122.921 120.300 0.118 0.000 2.539 43 Y HA 0.380 4.931 4.550 0.001 0.000 0.352 43 Y C 0.975 177.039 175.900 0.273 0.000 1.004 43 Y CA -0.270 57.935 58.100 0.175 0.000 1.278 43 Y CB -0.100 38.418 38.460 0.096 0.000 1.136 43 Y HN 1.028 nan 8.280 nan 0.000 0.528 44 T N 2.337 116.887 114.554 -0.006 0.000 2.862 44 T HA 0.130 4.480 4.350 0.001 0.000 0.276 44 T C 0.939 175.563 174.700 -0.126 0.000 0.974 44 T CA -0.725 61.428 62.100 0.087 0.000 0.966 44 T CB 1.185 70.070 68.868 0.029 0.000 1.072 44 T HN 0.674 nan 8.240 nan 0.000 0.538 45 L N 0.919 121.890 121.223 -0.420 0.000 2.046 45 L HA 0.030 4.371 4.340 0.001 0.000 0.208 45 L C 2.642 179.369 176.870 -0.238 0.000 1.077 45 L CA 2.166 56.629 54.840 -0.628 0.000 0.747 45 L CB -1.517 40.050 42.059 -0.819 0.000 0.896 45 L HN 0.964 nan 8.230 nan 0.000 0.432 46 T N -0.503 113.941 114.554 -0.183 0.000 2.746 46 T HA -0.161 4.189 4.350 0.001 0.000 0.267 46 T C 1.478 176.089 174.700 -0.148 0.000 1.039 46 T CA 1.466 63.486 62.100 -0.132 0.000 1.142 46 T CB -0.386 68.427 68.868 -0.091 0.000 0.866 46 T HN 0.396 nan 8.240 nan 0.000 0.444 47 D N 0.217 120.495 120.400 -0.203 0.000 2.123 47 D HA -0.103 4.538 4.640 0.001 0.000 0.196 47 D C 1.753 177.947 176.300 -0.177 0.000 0.992 47 D CA 1.073 54.914 54.000 -0.265 0.000 0.833 47 D CB -0.435 40.100 40.800 -0.443 0.000 0.954 47 D HN 0.434 nan 8.370 nan 0.000 0.455 48 Y N 1.440 121.563 120.300 -0.294 0.000 2.163 48 Y HA -0.103 4.448 4.550 0.001 0.000 0.288 48 Y C 2.159 178.073 175.900 0.024 0.000 1.136 48 Y CA 1.228 59.336 58.100 0.013 0.000 1.147 48 Y CB -0.573 37.966 38.460 0.132 0.000 0.987 48 Y HN -0.095 nan 8.280 nan 0.000 0.509 49 L N -0.064 120.977 121.223 -0.302 0.000 2.156 49 L HA -0.129 4.212 4.340 0.001 0.000 0.208 49 L C 1.850 178.611 176.870 -0.182 0.000 1.095 49 L CA 1.121 55.759 54.840 -0.336 0.000 0.770 49 L CB -0.378 41.557 42.059 -0.207 0.000 0.914 49 L HN 0.050 nan 8.230 nan 0.000 0.439 50 K N -0.345 119.975 120.400 -0.134 0.000 2.374 50 K HA 0.059 4.380 4.320 0.001 0.000 0.196 50 K C 0.335 176.886 176.600 -0.081 0.000 1.023 50 K CA -0.104 56.125 56.287 -0.096 0.000 1.103 50 K CB -0.253 32.193 32.500 -0.090 0.000 0.848 50 K HN 0.087 nan 8.250 nan 0.000 0.528 51 N N 1.405 120.068 118.700 -0.062 0.000 2.727 51 N HA -0.159 4.581 4.740 0.001 0.000 0.249 51 N C 0.171 175.665 175.510 -0.027 0.000 1.048 51 N CA 0.995 54.048 53.050 0.005 0.000 0.714 51 N CB -1.545 36.943 38.487 0.002 0.000 0.959 51 N HN 0.153 nan 8.380 nan 0.000 0.544 52 T N -1.062 113.420 114.554 -0.121 0.000 2.737 52 T HA -0.188 4.162 4.350 0.001 0.000 0.269 52 T C 0.398 174.853 174.700 -0.408 0.000 1.040 52 T CA 1.599 63.493 62.100 -0.343 0.000 1.142 52 T CB -0.212 68.309 68.868 -0.577 0.000 0.861 52 T HN 0.421 nan 8.240 nan 0.000 0.456 53 Y N 1.517 121.910 120.300 0.154 0.000 2.587 53 Y HA 0.484 5.035 4.550 0.001 0.000 0.328 53 Y C 0.353 176.363 175.900 0.184 0.000 0.980 53 Y CA -1.109 57.106 58.100 0.192 0.000 1.272 53 Y CB 0.425 39.061 38.460 0.294 0.000 1.094 53 Y HN -0.148 nan 8.280 nan 0.000 0.503 54 R N 2.587 123.226 120.500 0.232 0.000 2.254 54 R HA 0.383 4.724 4.340 0.001 0.000 0.318 54 R C -0.991 175.416 176.300 0.178 0.000 1.031 54 R CA -1.011 55.193 56.100 0.174 0.000 0.905 54 R CB 0.857 31.218 30.300 0.101 0.000 1.050 54 R HN 0.422 nan 8.270 nan 0.000 0.456 55 L N 3.796 125.130 121.223 0.185 0.000 2.462 55 L HA 0.086 4.427 4.340 0.001 0.000 0.272 55 L C 0.447 177.398 176.870 0.135 0.000 1.166 55 L CA 0.705 55.648 54.840 0.172 0.000 0.880 55 L CB 0.199 42.377 42.059 0.198 0.000 1.142 55 L HN 0.377 nan 8.230 nan 0.000 0.473 56 K N 3.154 123.628 120.400 0.124 0.000 2.174 56 K HA 0.533 4.853 4.320 0.001 0.000 0.275 56 K C -0.718 175.933 176.600 0.085 0.000 1.015 56 K CA -0.699 55.643 56.287 0.091 0.000 0.933 56 K CB 1.118 33.666 32.500 0.081 0.000 1.025 56 K HN 0.240 nan 8.250 nan 0.000 0.463 57 L N 1.572 122.779 121.223 -0.028 0.000 2.260 57 L HA 0.427 4.767 4.340 0.001 0.000 0.265 57 L C -1.020 175.598 176.870 -0.420 0.000 1.015 57 L CA -0.566 54.132 54.840 -0.237 0.000 0.826 57 L CB 0.689 42.706 42.059 -0.069 0.000 1.373 57 L HN 0.508 nan 8.230 nan 0.000 0.450 58 Y N -0.037 119.734 120.300 -0.881 0.000 2.517 58 Y HA 0.384 4.934 4.550 0.001 0.000 0.346 58 Y C -0.704 175.045 175.900 -0.252 0.000 1.113 58 Y CA -0.385 57.419 58.100 -0.492 0.000 1.295 58 Y CB 1.121 39.143 38.460 -0.729 0.000 1.094 58 Y HN 0.462 nan 8.280 nan 0.000 0.608 59 S N 5.766 121.419 115.700 -0.080 0.000 2.400 59 S HA 0.421 4.892 4.470 0.001 0.000 0.295 59 S C -0.512 174.074 174.600 -0.023 0.000 1.113 59 S CA -0.538 57.644 58.200 -0.031 0.000 1.064 59 S CB -0.370 62.812 63.200 -0.029 0.000 0.990 59 S HN 0.550 nan 8.310 nan 0.000 0.502 60 L N 1.754 122.926 121.223 -0.084 0.000 2.332 60 L HA 0.766 5.107 4.340 0.001 0.000 0.269 60 L C -0.127 176.656 176.870 -0.144 0.000 1.016 60 L CA -0.775 53.966 54.840 -0.164 0.000 0.809 60 L CB 0.670 42.332 42.059 -0.662 0.000 1.280 60 L HN 0.301 nan 8.230 nan 0.000 0.447 61 R N 1.015 121.469 120.500 -0.077 0.000 2.435 61 R HA 0.351 4.692 4.340 0.001 0.000 0.308 61 R C -1.673 174.647 176.300 0.033 0.000 0.975 61 R CA -0.297 55.805 56.100 0.003 0.000 0.867 61 R CB 1.082 31.421 30.300 0.064 0.000 1.171 61 R HN 0.678 nan 8.270 nan 0.000 0.470 62 W N 4.375 125.766 121.300 0.153 0.000 2.308 62 W HA 0.095 4.756 4.660 0.001 0.000 0.324 62 W C 1.513 178.104 176.519 0.120 0.000 1.387 62 W CA -0.364 57.081 57.345 0.166 0.000 1.250 62 W CB 0.431 29.989 29.460 0.163 0.000 1.257 62 W HN 0.657 nan 8.180 nan 0.000 0.554 63 I N 0.331 121.108 120.570 0.344 0.000 4.181 63 I HA 0.295 4.466 4.170 0.001 0.000 0.331 63 I C 0.697 176.923 176.117 0.182 0.000 1.312 63 I CA -0.072 61.336 61.300 0.180 0.000 1.146 63 I CB -0.102 37.920 38.000 0.037 0.000 1.074 63 I HN 0.253 nan 8.210 nan 0.000 0.402 64 S N 0.397 116.253 115.700 0.259 0.000 2.755 64 S HA 0.184 4.655 4.470 0.001 0.000 0.286 64 S C 0.034 174.787 174.600 0.255 0.000 1.207 64 S CA 0.006 58.342 58.200 0.227 0.000 0.892 64 S CB 0.631 63.955 63.200 0.206 0.000 1.240 64 S HN 0.284 nan 8.310 nan 0.000 0.525 65 D N 0.246 120.805 120.400 0.264 0.000 2.347 65 D HA -0.065 4.575 4.640 0.001 0.000 0.215 65 D C 1.052 177.592 176.300 0.399 0.000 0.976 65 D CA 1.697 55.837 54.000 0.233 0.000 0.884 65 D CB -0.696 40.224 40.800 0.200 0.000 0.915 65 D HN 0.949 nan 8.370 nan 0.000 0.526 66 H N -2.526 116.718 119.070 0.290 0.000 3.360 66 H HA 0.473 5.030 4.556 0.001 0.000 0.262 66 H C -0.030 175.452 175.328 0.255 0.000 1.149 66 H CA -0.609 55.606 56.048 0.279 0.000 1.181 66 H CB 0.543 30.446 29.762 0.235 0.000 1.564 66 H HN -0.068 nan 8.280 nan 0.000 0.565 67 E N 0.786 121.033 120.200 0.079 0.000 2.367 67 E HA 0.317 4.667 4.350 0.001 0.000 0.273 67 E C -1.733 175.015 176.600 0.248 0.000 0.903 67 E CA -1.424 54.972 56.400 -0.007 0.000 0.764 67 E CB 2.829 32.349 29.700 -0.300 0.000 1.252 67 E HN 0.345 nan 8.360 nan 0.000 0.446 68 Y N -0.926 119.355 120.300 -0.033 0.000 2.588 68 Y HA 0.636 5.187 4.550 0.001 0.000 0.343 68 Y C -1.695 174.179 175.900 -0.043 0.000 1.065 68 Y CA -1.298 56.704 58.100 -0.162 0.000 1.038 68 Y CB 0.842 38.891 38.460 -0.686 0.000 1.297 68 Y HN 0.332 nan 8.280 nan 0.000 0.467 69 L N 3.301 124.620 121.223 0.160 0.000 2.307 69 L HA 0.484 4.825 4.340 0.001 0.000 0.282 69 L C -1.335 175.735 176.870 0.332 0.000 1.051 69 L CA -0.900 54.023 54.840 0.139 0.000 0.804 69 L CB 1.418 43.480 42.059 0.006 0.000 1.197 69 L HN 0.778 nan 8.230 nan 0.000 0.431 70 Y N 2.922 123.333 120.300 0.186 0.000 2.361 70 Y HA 0.288 4.839 4.550 0.001 0.000 0.328 70 Y C -0.548 175.397 175.900 0.076 0.000 1.044 70 Y CA -1.109 57.047 58.100 0.094 0.000 1.085 70 Y CB 1.420 39.922 38.460 0.069 0.000 1.194 70 Y HN 0.442 nan 8.280 nan 0.000 0.438 71 K N 5.289 125.411 120.400 -0.464 0.000 2.349 71 K HA 0.197 4.518 4.320 0.001 0.000 0.289 71 K C -0.887 175.363 176.600 -0.584 0.000 1.064 71 K CA -0.137 55.924 56.287 -0.376 0.000 0.947 71 K CB 0.521 32.900 32.500 -0.201 0.000 1.007 71 K HN 0.824 nan 8.250 nan 0.000 0.478 72 Q N 4.134 123.776 119.800 -0.264 0.000 2.290 72 Q HA 0.106 4.446 4.340 0.001 0.000 0.269 72 Q C -1.241 174.722 176.000 -0.062 0.000 1.016 72 Q CA -0.244 55.480 55.803 -0.132 0.000 0.754 72 Q CB 1.046 29.844 28.738 0.100 0.000 1.247 72 Q HN 0.742 nan 8.270 nan 0.000 0.451 73 E N 3.345 123.509 120.200 -0.061 0.000 2.416 73 E HA -0.323 4.028 4.350 0.001 0.000 0.249 73 E C -0.341 176.228 176.600 -0.052 0.000 1.124 73 E CA 0.529 56.905 56.400 -0.041 0.000 0.732 73 E CB -1.021 28.668 29.700 -0.018 0.000 1.286 73 E HN 0.944 nan 8.360 nan 0.000 0.394 74 N N -1.312 117.346 118.700 -0.069 0.000 2.857 74 N HA -0.202 4.539 4.740 0.001 0.000 0.242 74 N C -0.459 175.002 175.510 -0.081 0.000 0.983 74 N CA 1.472 54.482 53.050 -0.067 0.000 0.934 74 N CB -1.034 37.428 38.487 -0.043 0.000 1.115 74 N HN 0.478 nan 8.380 nan 0.000 0.593 75 N N 0.664 119.316 118.700 -0.080 0.000 2.498 75 N HA 0.335 5.076 4.740 0.001 0.000 0.287 75 N C 0.085 175.542 175.510 -0.089 0.000 1.097 75 N CA -0.186 52.815 53.050 -0.082 0.000 0.973 75 N CB 1.090 39.539 38.487 -0.062 0.000 1.153 75 N HN 0.118 nan 8.380 nan 0.000 0.472 76 I N 3.213 123.734 120.570 -0.082 0.000 2.304 76 I HA 0.250 4.421 4.170 0.001 0.000 0.291 76 I C 0.034 176.170 176.117 0.031 0.000 1.018 76 I CA -0.385 60.884 61.300 -0.052 0.000 1.260 76 I CB 0.720 38.659 38.000 -0.102 0.000 1.390 76 I HN 0.220 nan 8.210 nan 0.000 0.475 77 L N 6.520 127.765 121.223 0.036 0.000 2.344 77 L HA 0.629 4.970 4.340 0.001 0.000 0.272 77 L C -0.388 176.449 176.870 -0.054 0.000 1.035 77 L CA -1.099 53.716 54.840 -0.043 0.000 0.807 77 L CB 1.886 43.846 42.059 -0.165 0.000 1.237 77 L HN 0.222 nan 8.230 nan 0.000 0.442 78 V N 1.753 121.559 119.914 -0.180 0.000 2.459 78 V HA 0.420 4.541 4.120 0.001 0.000 0.295 78 V C -0.603 175.238 176.094 -0.421 0.000 1.029 78 V CA -0.297 61.883 62.300 -0.201 0.000 0.874 78 V CB 1.609 33.373 31.823 -0.098 0.000 0.985 78 V HN 0.369 nan 8.190 nan 0.000 0.438 79 F N 3.332 122.973 119.950 -0.516 0.000 2.469 79 F HA 0.422 4.949 4.527 0.001 0.000 0.332 79 F C 0.634 176.135 175.800 -0.497 0.000 1.103 79 F CA -0.503 57.126 58.000 -0.618 0.000 0.979 79 F CB 1.371 39.656 39.000 -1.192 0.000 1.137 79 F HN 0.409 nan 8.300 nan 0.000 0.463 80 N N 2.242 120.883 118.700 -0.098 0.000 2.430 80 N HA 0.163 4.904 4.740 0.001 0.000 0.265 80 N C 0.577 176.063 175.510 -0.040 0.000 1.100 80 N CA 0.180 53.217 53.050 -0.023 0.000 0.961 80 N CB 1.670 40.217 38.487 0.101 0.000 1.075 80 N HN 0.840 nan 8.380 nan 0.000 0.478 81 A N 3.862 126.609 122.820 -0.122 0.000 1.933 81 A HA -0.166 4.154 4.320 0.001 0.000 0.218 81 A C 1.898 179.265 177.584 -0.361 0.000 1.175 81 A CA 1.397 53.283 52.037 -0.252 0.000 0.628 81 A CB -0.389 18.272 19.000 -0.567 0.000 0.814 81 A HN 0.782 nan 8.150 nan 0.000 0.444 82 E N -1.032 118.944 120.200 -0.374 0.000 2.072 82 E HA -0.149 4.201 4.350 0.001 0.000 0.191 82 E C 1.355 177.692 176.600 -0.437 0.000 0.985 82 E CA 1.738 57.920 56.400 -0.363 0.000 0.801 82 E CB -0.335 29.096 29.700 -0.448 0.000 0.750 82 E HN 0.765 nan 8.360 nan 0.000 0.452 83 Y N -2.411 117.901 120.300 0.020 0.000 2.498 83 Y HA 0.311 4.862 4.550 0.001 0.000 0.259 83 Y C 1.598 177.511 175.900 0.022 0.000 1.086 83 Y CA 0.107 58.221 58.100 0.023 0.000 1.287 83 Y CB 1.151 39.627 38.460 0.026 0.000 1.146 83 Y HN 0.187 nan 8.280 nan 0.000 0.523 84 G N 1.100 109.992 108.800 0.153 0.000 2.176 84 G HA2 -0.316 3.645 3.960 0.001 0.000 0.253 84 G HA3 -0.316 3.645 3.960 0.001 0.000 0.253 84 G C -0.079 174.942 174.900 0.200 0.000 0.979 84 G CA 0.186 45.385 45.100 0.164 0.000 0.641 84 G HN 0.427 nan 8.290 nan 0.000 0.530 85 N N 0.781 119.559 118.700 0.130 0.000 2.482 85 N HA 0.527 5.267 4.740 0.001 0.000 0.260 85 N C 0.132 175.567 175.510 -0.125 0.000 1.236 85 N CA 0.756 53.818 53.050 0.020 0.000 0.938 85 N CB 1.378 39.869 38.487 0.006 0.000 1.128 85 N HN 0.989 nan 8.380 nan 0.000 0.448 86 S N -0.599 114.934 115.700 -0.278 0.000 2.661 86 S HA 0.764 5.235 4.470 0.001 0.000 0.285 86 S C -0.877 173.530 174.600 -0.322 0.000 1.138 86 S CA -0.861 57.014 58.200 -0.542 0.000 0.855 86 S CB 1.525 63.994 63.200 -1.218 0.000 1.136 86 S HN 0.617 nan 8.310 nan 0.000 0.484 87 S N -0.027 115.490 115.700 -0.304 0.000 2.595 87 S HA 0.606 5.077 4.470 0.001 0.000 0.281 87 S C -0.932 173.578 174.600 -0.150 0.000 1.117 87 S CA -0.736 57.360 58.200 -0.174 0.000 0.873 87 S CB 1.650 64.787 63.200 -0.105 0.000 1.108 87 S HN 0.736 nan 8.310 nan 0.000 0.477 88 V N 3.057 122.908 119.914 -0.105 0.000 2.470 88 V HA 0.150 4.270 4.120 0.001 0.000 0.276 88 V C 0.532 176.608 176.094 -0.029 0.000 1.040 88 V CA 0.289 62.546 62.300 -0.072 0.000 1.008 88 V CB 0.036 31.807 31.823 -0.086 0.000 0.990 88 V HN 0.945 nan 8.190 nan 0.000 0.477 89 F N 5.444 125.317 119.950 -0.128 0.000 2.262 89 F HA 0.344 4.872 4.527 0.001 0.000 0.292 89 F C 0.482 176.218 175.800 -0.106 0.000 1.081 89 F CA 0.782 58.718 58.000 -0.106 0.000 1.355 89 F CB 0.554 39.501 39.000 -0.089 0.000 1.069 89 F HN 0.376 nan 8.300 nan 0.000 0.506 90 L N 1.156 122.361 121.223 -0.029 0.000 2.516 90 L HA 0.306 4.647 4.340 0.001 0.000 0.267 90 L C -0.942 175.846 176.870 -0.137 0.000 0.957 90 L CA -0.588 54.166 54.840 -0.144 0.000 0.860 90 L CB 1.667 43.678 42.059 -0.081 0.000 1.265 90 L HN -0.029 nan 8.230 nan 0.000 0.403 91 E N 2.432 122.522 120.200 -0.185 0.000 2.392 91 E HA 0.050 4.401 4.350 0.001 0.000 0.264 91 E C 0.610 177.101 176.600 -0.182 0.000 1.024 91 E CA 0.119 56.419 56.400 -0.167 0.000 0.903 91 E CB 0.720 30.318 29.700 -0.170 0.000 0.963 91 E HN 0.674 nan 8.360 nan 0.000 0.432 92 N N 1.580 120.204 118.700 -0.126 0.000 2.094 92 N HA -0.243 4.498 4.740 0.001 0.000 0.191 92 N C 1.318 176.761 175.510 -0.112 0.000 1.023 92 N CA 2.011 55.004 53.050 -0.095 0.000 0.857 92 N CB -0.572 37.875 38.487 -0.066 0.000 1.013 92 N HN 0.365 nan 8.380 nan 0.000 0.426 93 S N -2.183 113.432 115.700 -0.141 0.000 2.603 93 S HA 0.104 4.575 4.470 0.001 0.000 0.220 93 S C 1.343 175.805 174.600 -0.231 0.000 0.967 93 S CA 0.206 58.324 58.200 -0.137 0.000 0.920 93 S CB -0.652 62.485 63.200 -0.105 0.000 0.773 93 S HN 0.299 nan 8.310 nan 0.000 0.529 94 T N 1.737 116.039 114.554 -0.419 0.000 2.833 94 T HA 0.040 4.391 4.350 0.001 0.000 0.269 94 T C 0.204 174.387 174.700 -0.862 0.000 1.054 94 T CA 1.119 62.777 62.100 -0.738 0.000 1.135 94 T CB -0.427 67.746 68.868 -1.159 0.000 0.869 94 T HN 0.607 nan 8.240 nan 0.000 0.466 95 F N 0.967 120.797 119.950 -0.199 0.000 2.850 95 F HA 0.377 4.905 4.527 0.001 0.000 0.306 95 F C 1.154 176.936 175.800 -0.030 0.000 1.162 95 F CA -1.281 56.630 58.000 -0.148 0.000 1.327 95 F CB -0.197 38.626 39.000 -0.295 0.000 0.953 95 F HN -0.075 nan 8.300 nan 0.000 0.507 96 D N 0.958 121.382 120.400 0.040 0.000 2.133 96 D HA -0.170 4.471 4.640 0.001 0.000 0.195 96 D C 1.234 177.570 176.300 0.061 0.000 0.997 96 D CA 1.549 55.570 54.000 0.034 0.000 0.840 96 D CB 0.114 40.905 40.800 -0.016 0.000 0.947 96 D HN 0.305 nan 8.370 nan 0.000 0.452 97 E N -0.938 119.308 120.200 0.076 0.000 2.423 97 E HA 0.104 4.454 4.350 0.001 0.000 0.198 97 E C 0.667 177.331 176.600 0.107 0.000 1.038 97 E CA -0.358 56.078 56.400 0.060 0.000 1.011 97 E CB -0.155 29.562 29.700 0.029 0.000 1.118 97 E HN 0.113 nan 8.360 nan 0.000 0.451 98 F N 0.513 120.462 119.950 -0.002 0.000 2.186 98 F HA 0.014 4.542 4.527 0.001 0.000 0.299 98 F C 1.889 177.592 175.800 -0.161 0.000 1.090 98 F CA 1.958 59.946 58.000 -0.020 0.000 1.307 98 F CB 0.042 39.047 39.000 0.009 0.000 1.019 98 F HN 0.223 nan 8.300 nan 0.000 0.489 99 G N -1.570 107.055 108.800 -0.291 0.000 2.254 99 G HA2 -0.212 3.749 3.960 0.001 0.000 0.225 99 G HA3 -0.212 3.749 3.960 0.001 0.000 0.225 99 G C 0.243 174.702 174.900 -0.734 0.000 1.003 99 G CA 0.202 44.965 45.100 -0.561 0.000 0.622 99 G HN 0.533 nan 8.290 nan 0.000 0.507 100 H N 0.234 119.086 119.070 -0.364 0.000 2.622 100 H HA 0.645 5.202 4.556 0.001 0.000 0.363 100 H C -0.359 174.981 175.328 0.019 0.000 1.151 100 H CA 0.007 55.912 56.048 -0.239 0.000 1.184 100 H CB 1.717 31.113 29.762 -0.610 0.000 1.643 100 H HN 0.153 nan 8.280 nan 0.000 0.531 101 S N 2.091 117.888 115.700 0.161 0.000 2.488 101 S HA 0.188 4.658 4.470 0.001 0.000 0.278 101 S C 0.268 174.971 174.600 0.173 0.000 1.259 101 S CA -0.661 57.621 58.200 0.136 0.000 1.061 101 S CB -0.625 62.630 63.200 0.092 0.000 0.910 101 S HN 0.348 nan 8.310 nan 0.000 0.491 102 I N 5.666 126.312 120.570 0.126 0.000 2.352 102 I HA 0.184 4.355 4.170 0.001 0.000 0.290 102 I C 1.377 177.522 176.117 0.046 0.000 1.036 102 I CA -0.331 61.023 61.300 0.091 0.000 1.336 102 I CB 0.983 38.955 38.000 -0.046 0.000 1.407 102 I HN 0.692 nan 8.210 nan 0.000 0.497 103 N N 3.585 122.307 118.700 0.037 0.000 2.171 103 N HA -0.081 4.660 4.740 0.001 0.000 0.184 103 N C 0.033 175.508 175.510 -0.058 0.000 1.021 103 N CA 1.321 54.337 53.050 -0.056 0.000 0.854 103 N CB 0.349 38.765 38.487 -0.118 0.000 0.994 103 N HN 0.680 nan 8.380 nan 0.000 0.426 104 D N -2.967 117.432 120.400 -0.003 0.000 2.692 104 D HA 0.192 4.832 4.640 0.001 0.000 0.290 104 D C -1.723 174.648 176.300 0.117 0.000 1.281 104 D CA -0.550 53.465 54.000 0.026 0.000 0.804 104 D CB 0.771 41.548 40.800 -0.038 0.000 1.331 104 D HN 0.093 nan 8.370 nan 0.000 0.432 105 Y N -1.166 119.156 120.300 0.037 0.000 2.553 105 Y HA 0.755 5.306 4.550 0.001 0.000 0.347 105 Y C -1.231 174.751 175.900 0.136 0.000 1.019 105 Y CA -0.903 57.236 58.100 0.066 0.000 1.032 105 Y CB 1.953 40.432 38.460 0.033 0.000 1.284 105 Y HN 0.140 nan 8.280 nan 0.000 0.466 106 S N 3.470 119.359 115.700 0.314 0.000 2.750 106 S HA 0.564 5.035 4.470 0.001 0.000 0.276 106 S C -1.387 173.566 174.600 0.588 0.000 1.165 106 S CA -0.532 57.860 58.200 0.320 0.000 1.047 106 S CB 0.133 63.499 63.200 0.276 0.000 1.056 106 S HN 0.690 nan 8.310 nan 0.000 0.481 107 I N 4.446 125.267 120.570 0.418 0.000 2.395 107 I HA 0.261 4.431 4.170 0.001 0.000 0.289 107 I C 0.986 177.003 176.117 -0.167 0.000 1.023 107 I CA -0.283 61.161 61.300 0.241 0.000 1.350 107 I CB 1.610 39.732 38.000 0.202 0.000 1.409 107 I HN 0.747 nan 8.210 nan 0.000 0.507 108 S N 5.996 121.276 115.700 -0.701 0.000 2.573 108 S HA 0.152 4.622 4.470 0.001 0.000 0.277 108 S C -1.820 172.494 174.600 -0.476 0.000 1.346 108 S CA -0.931 56.458 58.200 -1.351 0.000 1.034 108 S CB 0.622 62.825 63.200 -1.662 0.000 0.879 108 S HN 0.423 nan 8.310 nan 0.000 0.528 109 P HA -0.118 nan 4.420 nan 0.000 0.219 109 P C 0.752 178.013 177.300 -0.064 0.000 1.146 109 P CA 1.423 64.456 63.100 -0.112 0.000 0.808 109 P CB -0.148 31.512 31.700 -0.067 0.000 0.779 110 D N -1.955 118.405 120.400 -0.067 0.000 2.349 110 D HA 0.069 4.709 4.640 0.001 0.000 0.224 110 D C 1.432 177.735 176.300 0.005 0.000 1.029 110 D CA 0.617 54.618 54.000 0.000 0.000 0.879 110 D CB -1.113 39.725 40.800 0.062 0.000 0.906 110 D HN 0.197 nan 8.370 nan 0.000 0.528 111 G N 0.429 109.222 108.800 -0.011 0.000 2.168 111 G HA2 -0.407 3.553 3.960 0.001 0.000 0.263 111 G HA3 -0.407 3.553 3.960 0.001 0.000 0.263 111 G C 0.969 175.895 174.900 0.045 0.000 0.977 111 G CA 0.604 45.778 45.100 0.123 0.000 0.659 111 G HN 0.469 nan 8.290 nan 0.000 0.533 112 Q N -1.558 118.151 119.800 -0.152 0.000 2.269 112 Q HA 0.330 4.671 4.340 0.001 0.000 0.201 112 Q C 0.255 175.784 176.000 -0.786 0.000 0.946 112 Q CA 0.708 56.209 55.803 -0.504 0.000 0.877 112 Q CB 0.320 28.655 28.738 -0.670 0.000 0.963 112 Q HN 0.581 nan 8.270 nan 0.000 0.472 113 F N -0.531 119.357 119.950 -0.103 0.000 2.588 113 F HA 0.498 5.026 4.527 0.001 0.000 0.314 113 F C -0.588 175.318 175.800 0.177 0.000 1.069 113 F CA -1.158 56.861 58.000 0.031 0.000 0.931 113 F CB 1.759 40.795 39.000 0.060 0.000 1.260 113 F HN -0.202 nan 8.300 nan 0.000 0.465 114 I N 3.240 124.147 120.570 0.560 0.000 2.466 114 I HA 0.471 4.641 4.170 0.001 0.000 0.289 114 I C -1.722 174.716 176.117 0.535 0.000 1.026 114 I CA -1.074 60.547 61.300 0.536 0.000 1.078 114 I CB 1.403 39.657 38.000 0.423 0.000 1.249 114 I HN 0.532 nan 8.210 nan 0.000 0.429 115 L N 8.418 129.981 121.223 0.568 0.000 2.281 115 L HA 0.412 4.753 4.340 0.001 0.000 0.285 115 L C -1.270 175.747 176.870 0.245 0.000 1.074 115 L CA -0.093 54.953 54.840 0.343 0.000 0.817 115 L CB 0.914 43.082 42.059 0.181 0.000 1.168 115 L HN 0.478 nan 8.230 nan 0.000 0.434 116 L N 5.336 126.649 121.223 0.150 0.000 2.265 116 L HA 0.428 4.769 4.340 0.001 0.000 0.289 116 L C 0.086 177.043 176.870 0.145 0.000 1.033 116 L CA 0.080 54.931 54.840 0.019 0.000 0.814 116 L CB 1.097 42.959 42.059 -0.329 0.000 1.203 116 L HN 0.625 nan 8.230 nan 0.000 0.423 117 E N 4.004 124.254 120.200 0.084 0.000 2.174 117 E HA 0.476 4.826 4.350 0.001 0.000 0.282 117 E C -1.442 175.156 176.600 -0.004 0.000 0.992 117 E CA -0.402 55.912 56.400 -0.143 0.000 0.803 117 E CB 0.828 30.517 29.700 -0.019 0.000 1.090 117 E HN 0.471 nan 8.360 nan 0.000 0.396 118 Y N 1.606 121.759 120.300 -0.246 0.000 2.728 118 Y HA 0.421 4.972 4.550 0.001 0.000 0.330 118 Y C -0.196 175.616 175.900 -0.147 0.000 1.234 118 Y CA -1.543 56.488 58.100 -0.115 0.000 1.070 118 Y CB 0.471 38.925 38.460 -0.010 0.000 1.300 118 Y HN 0.477 nan 8.280 nan 0.000 0.467 119 N N -0.223 118.516 118.700 0.065 0.000 2.727 119 N HA -0.309 4.432 4.740 0.001 0.000 0.249 119 N C -0.965 174.531 175.510 -0.024 0.000 1.048 119 N CA 1.066 54.107 53.050 -0.014 0.000 0.714 119 N CB -1.567 36.840 38.487 -0.133 0.000 0.959 119 N HN 0.861 nan 8.380 nan 0.000 0.544 120 Y N 0.066 120.306 120.300 -0.098 0.000 2.620 120 Y HA 0.250 4.801 4.550 0.001 0.000 0.330 120 Y C 0.053 175.927 175.900 -0.044 0.000 1.186 120 Y CA -0.009 58.033 58.100 -0.097 0.000 1.467 120 Y CB 0.692 39.044 38.460 -0.180 0.000 1.262 120 Y HN -0.005 nan 8.280 nan 0.000 0.550 121 V N 7.994 127.586 119.914 -0.537 0.000 2.447 121 V HA 0.191 4.312 4.120 0.001 0.000 0.292 121 V C -0.267 175.437 176.094 -0.650 0.000 1.021 121 V CA -1.460 60.562 62.300 -0.463 0.000 0.850 121 V CB 1.264 32.961 31.823 -0.210 0.000 1.005 121 V HN 0.751 nan 8.190 nan 0.000 0.426 122 K N 3.492 123.484 120.400 -0.681 0.000 2.489 122 K HA 0.116 4.437 4.320 0.001 0.000 0.278 122 K C 0.483 176.913 176.600 -0.284 0.000 1.000 122 K CA 0.405 56.459 56.287 -0.388 0.000 1.012 122 K CB 0.984 33.445 32.500 -0.065 0.000 0.903 122 K HN 0.825 nan 8.250 nan 0.000 0.485 123 Q N 3.036 122.652 119.800 -0.307 0.000 2.679 123 Q HA 0.152 4.493 4.340 0.001 0.000 0.255 123 Q C 0.043 175.825 176.000 -0.364 0.000 1.053 123 Q CA -0.279 55.165 55.803 -0.599 0.000 0.620 123 Q CB 0.064 28.247 28.738 -0.924 0.000 3.775 123 Q HN 0.709 nan 8.270 nan 0.000 0.446 124 W N 0.155 121.439 121.300 -0.026 0.000 1.836 124 W HA 0.355 5.016 4.660 0.001 0.000 0.628 124 W C 1.848 178.338 176.519 -0.049 0.000 1.626 124 W CA -0.745 56.602 57.345 0.003 0.000 1.714 124 W CB -0.153 29.258 29.460 -0.082 0.000 3.166 124 W HN 0.282 nan 8.180 nan 0.000 0.772 125 R N -0.622 119.945 120.500 0.113 0.000 2.096 125 R HA -0.148 4.193 4.340 0.001 0.000 0.235 125 R C 1.744 177.871 176.300 -0.288 0.000 1.127 125 R CA 1.748 57.745 56.100 -0.171 0.000 0.968 125 R CB -0.349 29.692 30.300 -0.432 0.000 0.861 125 R HN 0.502 nan 8.270 nan 0.000 0.440 126 H N -1.425 117.714 119.070 0.115 0.000 2.800 126 H HA 0.157 4.713 4.556 0.001 0.000 0.257 126 H C 0.548 175.961 175.328 0.142 0.000 0.967 126 H CA 0.445 56.583 56.048 0.149 0.000 1.192 126 H CB 0.182 30.006 29.762 0.103 0.000 1.441 126 H HN 0.115 nan 8.280 nan 0.000 0.461 127 S N 1.648 117.333 115.700 -0.024 0.000 2.564 127 S HA 0.352 4.823 4.470 0.001 0.000 0.278 127 S C -0.284 174.196 174.600 -0.199 0.000 1.333 127 S CA -0.506 57.378 58.200 -0.526 0.000 1.048 127 S CB 0.390 62.700 63.200 -1.482 0.000 0.900 127 S HN 0.435 nan 8.310 nan 0.000 0.505 128 Y N -1.846 118.353 120.300 -0.168 0.000 2.656 128 Y HA 0.726 5.277 4.550 0.001 0.000 0.334 128 Y C -0.556 175.346 175.900 0.004 0.000 1.179 128 Y CA -1.037 56.951 58.100 -0.187 0.000 1.050 128 Y CB 0.610 38.916 38.460 -0.257 0.000 1.308 128 Y HN 0.806 nan 8.280 nan 0.000 0.456 129 T N -0.196 114.414 114.554 0.094 0.000 2.940 129 T HA 0.991 5.342 4.350 0.001 0.000 0.288 129 T C -0.453 174.348 174.700 0.168 0.000 1.033 129 T CA -0.125 62.054 62.100 0.133 0.000 1.033 129 T CB 1.688 70.590 68.868 0.056 0.000 1.079 129 T HN 1.724 nan 8.240 nan 0.000 0.496 130 A N 0.936 123.822 122.820 0.110 0.000 2.599 130 A HA 0.763 5.084 4.320 0.001 0.000 0.290 130 A C -0.425 176.926 177.584 -0.388 0.000 1.101 130 A CA -0.967 50.976 52.037 -0.157 0.000 0.674 130 A CB 1.208 20.078 19.000 -0.215 0.000 1.277 130 A HN 0.844 nan 8.150 nan 0.000 0.419 131 S N -0.665 114.586 115.700 -0.749 0.000 2.654 131 S HA 0.778 5.248 4.470 0.001 0.000 0.283 131 S C -1.449 172.391 174.600 -1.266 0.000 1.180 131 S CA -0.010 57.639 58.200 -0.918 0.000 1.021 131 S CB 0.564 63.041 63.200 -1.206 0.000 1.018 131 S HN 0.446 nan 8.310 nan 0.000 0.532 132 Y N 0.128 120.130 120.300 -0.497 0.000 2.470 132 Y HA 0.421 4.972 4.550 0.001 0.000 0.341 132 Y C -0.284 175.610 175.900 -0.011 0.000 1.021 132 Y CA -0.862 57.104 58.100 -0.223 0.000 1.025 132 Y CB 1.787 40.089 38.460 -0.264 0.000 1.266 132 Y HN 0.519 nan 8.280 nan 0.000 0.448 133 D N 2.899 123.494 120.400 0.326 0.000 2.527 133 D HA 0.563 5.204 4.640 0.001 0.000 0.233 133 D C -0.936 175.489 176.300 0.209 0.000 1.063 133 D CA -0.376 53.800 54.000 0.292 0.000 0.880 133 D CB 2.801 43.889 40.800 0.480 0.000 1.457 133 D HN 0.409 nan 8.370 nan 0.000 0.475 134 I N 1.758 122.443 120.570 0.193 0.000 2.378 134 I HA 0.245 4.415 4.170 0.001 0.000 0.291 134 I C -0.878 175.448 176.117 0.348 0.000 0.992 134 I CA -0.921 60.528 61.300 0.249 0.000 1.154 134 I CB 1.428 39.520 38.000 0.154 0.000 1.315 134 I HN 0.227 nan 8.210 nan 0.000 0.448 135 Y N 5.568 126.039 120.300 0.284 0.000 2.335 135 Y HA 0.300 4.851 4.550 0.001 0.000 0.338 135 Y C -0.175 175.926 175.900 0.334 0.000 0.977 135 Y CA -0.646 57.628 58.100 0.290 0.000 1.114 135 Y CB 1.161 39.818 38.460 0.328 0.000 1.182 135 Y HN 0.499 nan 8.280 nan 0.000 0.463 136 D N 6.066 126.395 120.400 -0.119 0.000 2.325 136 D HA 0.076 4.717 4.640 0.001 0.000 0.251 136 D C 0.553 176.580 176.300 -0.456 0.000 1.196 136 D CA 0.309 54.183 54.000 -0.210 0.000 0.866 136 D CB 1.150 41.876 40.800 -0.122 0.000 1.101 136 D HN 0.884 nan 8.370 nan 0.000 0.476 137 L N 3.783 124.810 121.223 -0.327 0.000 2.313 137 L HA -0.062 4.279 4.340 0.001 0.000 0.214 137 L C 2.051 178.769 176.870 -0.254 0.000 1.119 137 L CA 0.412 55.139 54.840 -0.189 0.000 0.809 137 L CB -0.108 41.840 42.059 -0.184 0.000 0.933 137 L HN 0.402 nan 8.230 nan 0.000 0.449 138 N N 0.740 119.251 118.700 -0.315 0.000 2.278 138 N HA -0.108 4.633 4.740 0.001 0.000 0.181 138 N C 1.440 176.830 175.510 -0.200 0.000 1.023 138 N CA 0.921 53.825 53.050 -0.243 0.000 0.862 138 N CB -0.027 38.313 38.487 -0.246 0.000 1.003 138 N HN 0.437 nan 8.380 nan 0.000 0.431 139 K N 1.148 121.416 120.400 -0.220 0.000 2.417 139 K HA 0.173 4.494 4.320 0.001 0.000 0.196 139 K C -0.287 176.187 176.600 -0.211 0.000 1.023 139 K CA -0.181 56.001 56.287 -0.175 0.000 1.122 139 K CB 0.367 32.787 32.500 -0.133 0.000 0.850 139 K HN -0.185 nan 8.250 nan 0.000 0.521 140 R N 1.187 121.512 120.500 -0.292 0.000 3.251 140 R HA -0.179 4.162 4.340 0.001 0.000 0.249 140 R C -1.043 175.018 176.300 -0.397 0.000 0.949 140 R CA 0.818 56.746 56.100 -0.287 0.000 0.645 140 R CB -2.507 27.753 30.300 -0.067 0.000 1.065 140 R HN 0.663 nan 8.270 nan 0.000 0.452 141 Q N -0.174 119.160 119.800 -0.776 0.000 2.309 141 Q HA 0.413 4.753 4.340 0.001 0.000 0.273 141 Q C -0.330 175.458 176.000 -0.353 0.000 1.040 141 Q CA -0.946 54.629 55.803 -0.381 0.000 0.834 141 Q CB 2.297 30.940 28.738 -0.159 0.000 1.345 141 Q HN 0.218 nan 8.270 nan 0.000 0.414 142 L N 3.092 124.364 121.223 0.082 0.000 2.499 142 L HA 0.106 4.447 4.340 0.001 0.000 0.273 142 L C -0.070 176.875 176.870 0.125 0.000 1.195 142 L CA -0.010 54.975 54.840 0.241 0.000 0.882 142 L CB 0.168 42.440 42.059 0.354 0.000 1.133 142 L HN 0.510 nan 8.230 nan 0.000 0.483 143 I N 2.738 123.388 120.570 0.133 0.000 2.533 143 I HA -0.036 4.135 4.170 0.001 0.000 0.284 143 I C 1.331 177.496 176.117 0.081 0.000 1.109 143 I CA 0.635 61.987 61.300 0.086 0.000 1.412 143 I CB 1.282 39.324 38.000 0.070 0.000 1.396 143 I HN 0.672 nan 8.210 nan 0.000 0.543 144 T N 1.309 115.894 114.554 0.052 0.000 2.985 144 T HA 0.170 4.521 4.350 0.001 0.000 0.254 144 T C 0.408 175.112 174.700 0.007 0.000 1.021 144 T CA -0.406 61.718 62.100 0.039 0.000 0.957 144 T CB -0.108 68.784 68.868 0.040 0.000 1.047 144 T HN 0.561 nan 8.240 nan 0.000 0.511 145 E N 1.994 122.193 120.200 -0.002 0.000 2.266 145 E HA 0.229 4.580 4.350 0.001 0.000 0.277 145 E C -0.620 175.953 176.600 -0.046 0.000 1.018 145 E CA -0.608 55.779 56.400 -0.023 0.000 0.840 145 E CB 0.748 30.438 29.700 -0.017 0.000 1.082 145 E HN 0.115 nan 8.360 nan 0.000 0.395 146 E N 0.951 121.111 120.200 -0.067 0.000 2.252 146 E HA -0.224 4.126 4.350 0.001 0.000 0.218 146 E C -0.631 175.891 176.600 -0.130 0.000 1.253 146 E CA 0.667 57.008 56.400 -0.098 0.000 0.705 146 E CB -1.376 28.273 29.700 -0.084 0.000 1.172 146 E HN 0.531 nan 8.360 nan 0.000 0.369 147 R N -0.134 120.281 120.500 -0.142 0.000 2.539 147 R HA 0.362 4.703 4.340 0.001 0.000 0.275 147 R C 1.110 177.226 176.300 -0.306 0.000 1.077 147 R CA -0.543 55.456 56.100 -0.169 0.000 1.097 147 R CB 0.568 30.802 30.300 -0.110 0.000 1.018 147 R HN 0.151 nan 8.270 nan 0.000 0.483 148 I N 5.070 125.407 120.570 -0.389 0.000 2.752 148 I HA -0.025 4.146 4.170 0.001 0.000 0.289 148 I C -1.512 174.276 176.117 -0.550 0.000 1.197 148 I CA -1.122 59.770 61.300 -0.679 0.000 1.432 148 I CB 0.143 37.723 38.000 -0.701 0.000 1.359 148 I HN 0.368 nan 8.210 nan 0.000 0.571 149 P HA 0.103 nan 4.420 nan 0.000 0.274 149 P C -0.819 176.252 177.300 -0.381 0.000 1.246 149 P CA -0.471 62.232 63.100 -0.662 0.000 0.795 149 P CB 0.453 31.351 31.700 -1.337 0.000 1.006 150 N N 1.551 120.116 118.700 -0.224 0.000 2.415 150 N HA -0.007 4.734 4.740 0.001 0.000 0.248 150 N C 0.689 176.261 175.510 0.105 0.000 1.271 150 N CA 0.310 53.307 53.050 -0.088 0.000 0.913 150 N CB -0.569 37.889 38.487 -0.049 0.000 1.129 150 N HN 0.422 nan 8.380 nan 0.000 0.444 151 N N -1.360 117.389 118.700 0.083 0.000 2.741 151 N HA -0.163 4.578 4.740 0.001 0.000 0.250 151 N C -0.831 174.858 175.510 0.298 0.000 1.115 151 N CA 0.730 53.877 53.050 0.163 0.000 0.724 151 N CB -1.758 36.833 38.487 0.173 0.000 1.090 151 N HN 0.475 nan 8.380 nan 0.000 0.558 152 T N 0.862 115.583 114.554 0.279 0.000 2.870 152 T HA 0.099 4.449 4.350 0.001 0.000 0.300 152 T C 1.694 176.553 174.700 0.265 0.000 0.989 152 T CA 0.177 62.465 62.100 0.313 0.000 1.139 152 T CB 1.142 70.111 68.868 0.168 0.000 0.920 152 T HN 0.175 nan 8.240 nan 0.000 0.537 153 Q N 1.839 121.778 119.800 0.233 0.000 2.339 153 Q HA 0.167 4.508 4.340 0.001 0.000 0.205 153 Q C 0.146 176.270 176.000 0.207 0.000 0.925 153 Q CA 0.372 56.305 55.803 0.217 0.000 0.898 153 Q CB 0.800 29.610 28.738 0.120 0.000 1.013 153 Q HN 0.711 nan 8.270 nan 0.000 0.504 154 W N -0.352 120.887 121.300 -0.102 0.000 3.419 154 W HA 0.512 5.172 4.660 0.001 0.000 0.298 154 W C -2.328 174.092 176.519 -0.164 0.000 1.260 154 W CA -0.723 56.518 57.345 -0.173 0.000 1.199 154 W CB 1.323 30.620 29.460 -0.272 0.000 1.349 154 W HN -0.293 nan 8.180 nan 0.000 0.557 155 V N 4.368 123.542 119.914 -1.234 0.000 2.851 155 V HA 0.749 4.870 4.120 0.001 0.000 0.307 155 V C -1.536 173.862 176.094 -1.159 0.000 1.129 155 V CA -0.070 61.627 62.300 -1.005 0.000 0.932 155 V CB 2.286 33.490 31.823 -1.032 0.000 1.024 155 V HN 0.598 nan 8.190 nan 0.000 0.426 156 T N 5.803 120.011 114.554 -0.577 0.000 3.032 156 T HA 0.499 4.850 4.350 0.001 0.000 0.312 156 T C -1.142 173.556 174.700 -0.003 0.000 1.078 156 T CA -0.308 61.650 62.100 -0.237 0.000 1.028 156 T CB 0.756 69.716 68.868 0.155 0.000 1.091 156 T HN 0.696 nan 8.240 nan 0.000 0.457 157 W N 3.484 124.803 121.300 0.032 0.000 2.148 157 W HA 0.362 5.023 4.660 0.001 0.000 0.347 157 W C 1.377 177.766 176.519 -0.217 0.000 1.288 157 W CA -0.521 56.806 57.345 -0.030 0.000 1.252 157 W CB 0.473 29.916 29.460 -0.028 0.000 1.156 157 W HN 0.801 nan 8.180 nan 0.000 0.580 158 S N 1.730 117.166 115.700 -0.441 0.000 2.580 158 S HA 0.071 4.542 4.470 0.001 0.000 0.266 158 S C -1.737 172.597 174.600 -0.444 0.000 1.354 158 S CA -0.931 56.486 58.200 -1.305 0.000 1.008 158 S CB 0.631 62.926 63.200 -1.508 0.000 0.898 158 S HN 0.310 nan 8.310 nan 0.000 0.555 159 P HA 0.154 nan 4.420 nan 0.000 0.229 159 P C -0.215 177.039 177.300 -0.076 0.000 1.160 159 P CA 0.432 63.490 63.100 -0.069 0.000 0.777 159 P CB 0.106 31.813 31.700 0.011 0.000 0.814 160 V N -1.454 118.366 119.914 -0.157 0.000 2.735 160 V HA 0.654 4.775 4.120 0.001 0.000 0.310 160 V C 0.845 176.838 176.094 -0.170 0.000 1.061 160 V CA 0.169 62.397 62.300 -0.120 0.000 0.913 160 V CB 1.047 32.811 31.823 -0.098 0.000 1.005 160 V HN 0.419 nan 8.190 nan 0.000 0.428 161 G N 3.436 112.165 108.800 -0.118 0.000 2.514 161 G HA2 -0.217 3.743 3.960 0.001 0.000 0.265 161 G HA3 -0.217 3.743 3.960 0.001 0.000 0.265 161 G C 0.172 175.013 174.900 -0.097 0.000 1.150 161 G CA 0.653 45.666 45.100 -0.144 0.000 0.959 161 G HN 1.873 nan 8.290 nan 0.000 0.556 162 H N -0.541 118.513 119.070 -0.028 0.000 3.411 162 H HA 0.364 4.921 4.556 0.001 0.000 0.232 162 H C 0.195 175.678 175.328 0.257 0.000 1.322 162 H CA -0.028 56.064 56.048 0.073 0.000 1.077 162 H CB -0.521 29.280 29.762 0.064 0.000 2.741 162 H HN 0.564 nan 8.280 nan 0.000 0.596 163 K N 1.569 121.992 120.400 0.040 0.000 2.219 163 K HA 0.500 4.821 4.320 0.001 0.000 0.258 163 K C -0.352 176.374 176.600 0.211 0.000 1.008 163 K CA -0.344 55.987 56.287 0.074 0.000 0.928 163 K CB 1.467 33.890 32.500 -0.129 0.000 0.983 163 K HN 0.109 nan 8.250 nan 0.000 0.484 164 L N 0.991 122.354 121.223 0.232 0.000 2.386 164 L HA 0.533 4.874 4.340 0.001 0.000 0.271 164 L C -0.892 176.186 176.870 0.347 0.000 0.993 164 L CA -0.815 54.123 54.840 0.164 0.000 0.819 164 L CB 2.146 44.137 42.059 -0.113 0.000 1.294 164 L HN 0.680 nan 8.230 nan 0.000 0.414 165 A N 2.562 125.587 122.820 0.341 0.000 2.331 165 A HA 0.817 5.138 4.320 0.001 0.000 0.320 165 A C -1.458 176.138 177.584 0.021 0.000 1.138 165 A CA -0.379 51.711 52.037 0.088 0.000 0.790 165 A CB 0.910 19.831 19.000 -0.131 0.000 1.206 165 A HN 0.650 nan 8.150 nan 0.000 0.470 166 Y N -0.253 119.994 120.300 -0.089 0.000 2.581 166 Y HA 0.775 5.326 4.550 0.001 0.000 0.345 166 Y C -1.099 174.810 175.900 0.015 0.000 1.036 166 Y CA -1.606 56.422 58.100 -0.120 0.000 1.042 166 Y CB 1.227 39.553 38.460 -0.225 0.000 1.289 166 Y HN 0.361 nan 8.280 nan 0.000 0.471 167 V N 2.292 122.320 119.914 0.189 0.000 2.448 167 V HA 0.362 4.482 4.120 0.001 0.000 0.295 167 V C -1.404 174.903 176.094 0.355 0.000 1.025 167 V CA -0.639 61.755 62.300 0.157 0.000 0.859 167 V CB 1.225 33.055 31.823 0.011 0.000 0.988 167 V HN 0.890 nan 8.190 nan 0.000 0.431 168 W N 4.989 126.389 121.300 0.166 0.000 3.097 168 W HA 0.467 5.127 4.660 0.001 0.000 0.335 168 W C 0.233 176.807 176.519 0.091 0.000 1.114 168 W CA -0.722 56.696 57.345 0.123 0.000 1.231 168 W CB 1.240 30.761 29.460 0.102 0.000 1.388 168 W HN 0.782 nan 8.180 nan 0.000 0.485 169 N N 5.693 124.035 118.700 -0.596 0.000 2.727 169 N HA -0.359 4.381 4.740 0.001 0.000 0.249 169 N C 0.191 175.525 175.510 -0.292 0.000 1.048 169 N CA 1.038 53.733 53.050 -0.592 0.000 0.714 169 N CB -1.081 36.826 38.487 -0.966 0.000 0.959 169 N HN 0.838 nan 8.380 nan 0.000 0.544 170 N N -2.214 116.379 118.700 -0.177 0.000 2.909 170 N HA -0.166 4.574 4.740 0.001 0.000 0.242 170 N C -1.196 174.228 175.510 -0.143 0.000 0.975 170 N CA 1.146 54.110 53.050 -0.144 0.000 0.921 170 N CB -0.391 37.972 38.487 -0.206 0.000 1.112 170 N HN 0.444 nan 8.380 nan 0.000 0.581 171 D N 0.611 120.928 120.400 -0.139 0.000 2.269 171 D HA 0.504 5.145 4.640 0.001 0.000 0.244 171 D C 0.227 176.334 176.300 -0.322 0.000 0.992 171 D CA -0.334 53.502 54.000 -0.274 0.000 0.894 171 D CB 1.620 42.190 40.800 -0.383 0.000 1.248 171 D HN 0.034 nan 8.370 nan 0.000 0.468 172 I N 1.580 121.808 120.570 -0.570 0.000 2.385 172 I HA 0.242 4.413 4.170 0.001 0.000 0.294 172 I C -0.689 174.928 176.117 -0.834 0.000 0.988 172 I CA -0.459 60.490 61.300 -0.586 0.000 1.265 172 I CB 0.614 38.196 38.000 -0.697 0.000 1.388 172 I HN 0.169 nan 8.210 nan 0.000 0.480 173 Y N 4.027 123.944 120.300 -0.637 0.000 2.545 173 Y HA 0.649 5.200 4.550 0.001 0.000 0.348 173 Y C -0.400 175.165 175.900 -0.559 0.000 1.002 173 Y CA -0.930 56.753 58.100 -0.695 0.000 1.039 173 Y CB 2.117 39.862 38.460 -1.191 0.000 1.271 173 Y HN 0.100 nan 8.280 nan 0.000 0.467 174 V N 2.568 122.427 119.914 -0.092 0.000 2.638 174 V HA 0.434 4.555 4.120 0.001 0.000 0.306 174 V C -0.978 175.247 176.094 0.217 0.000 1.052 174 V CA -1.357 60.988 62.300 0.075 0.000 0.885 174 V CB 1.982 33.866 31.823 0.102 0.000 0.999 174 V HN 0.614 nan 8.190 nan 0.000 0.424 175 K N 4.513 125.045 120.400 0.221 0.000 2.307 175 K HA 0.506 4.827 4.320 0.001 0.000 0.263 175 K C 0.507 177.236 176.600 0.216 0.000 0.973 175 K CA -0.709 55.696 56.287 0.197 0.000 0.846 175 K CB 1.699 34.273 32.500 0.124 0.000 1.100 175 K HN 0.430 nan 8.250 nan 0.000 0.438 176 I N 1.283 121.999 120.570 0.243 0.000 2.286 176 I HA -0.085 4.085 4.170 0.001 0.000 0.245 176 I C 0.401 176.614 176.117 0.159 0.000 1.104 176 I CA 1.471 62.884 61.300 0.188 0.000 1.397 176 I CB -0.367 37.757 38.000 0.208 0.000 1.072 176 I HN 0.573 nan 8.210 nan 0.000 0.417 177 E N -0.087 120.202 120.200 0.148 0.000 2.266 177 E HA 0.283 4.634 4.350 0.001 0.000 0.268 177 E C -1.903 174.700 176.600 0.004 0.000 0.879 177 E CA -2.007 54.469 56.400 0.126 0.000 0.762 177 E CB 1.835 31.603 29.700 0.115 0.000 1.199 177 E HN -0.144 nan 8.360 nan 0.000 0.422 178 P HA -0.165 nan 4.420 nan 0.000 0.217 178 P C 0.832 178.062 177.300 -0.118 0.000 1.148 178 P CA 1.292 64.262 63.100 -0.217 0.000 0.828 178 P CB 0.279 31.644 31.700 -0.559 0.000 0.783 179 N N -1.016 117.638 118.700 -0.076 0.000 2.336 179 N HA -0.008 4.733 4.740 0.001 0.000 0.189 179 N C 0.155 175.650 175.510 -0.026 0.000 1.113 179 N CA 0.292 53.322 53.050 -0.032 0.000 0.858 179 N CB -0.364 38.123 38.487 0.001 0.000 0.970 179 N HN 0.181 nan 8.380 nan 0.000 0.471 180 L N 0.562 121.771 121.223 -0.025 0.000 2.352 180 L HA 0.514 4.855 4.340 0.001 0.000 0.269 180 L C -2.270 174.557 176.870 -0.072 0.000 1.034 180 L CA -2.324 52.497 54.840 -0.031 0.000 0.806 180 L CB 1.496 43.556 42.059 0.001 0.000 1.244 180 L HN -0.195 nan 8.230 nan 0.000 0.447 181 P HA 0.013 nan 4.420 nan 0.000 0.268 181 P C -0.690 176.464 177.300 -0.243 0.000 1.205 181 P CA -0.291 62.711 63.100 -0.163 0.000 0.771 181 P CB 0.546 32.139 31.700 -0.179 0.000 0.858 182 S N 2.178 117.788 115.700 -0.149 0.000 2.585 182 S HA 0.237 4.708 4.470 0.001 0.000 0.273 182 S C -0.672 173.807 174.600 -0.202 0.000 1.339 182 S CA -0.243 57.909 58.200 -0.080 0.000 1.028 182 S CB -0.140 63.104 63.200 0.073 0.000 0.906 182 S HN 0.255 nan 8.310 nan 0.000 0.528 183 Y N 0.592 120.920 120.300 0.046 0.000 2.335 183 Y HA 0.447 4.998 4.550 0.001 0.000 0.339 183 Y C 0.706 176.550 175.900 -0.093 0.000 0.987 183 Y CA -0.910 57.197 58.100 0.012 0.000 1.140 183 Y CB 0.968 39.430 38.460 0.005 0.000 1.173 183 Y HN 0.745 nan 8.280 nan 0.000 0.486 184 R N 3.362 123.833 120.500 -0.049 0.000 2.296 184 R HA 0.184 4.525 4.340 0.001 0.000 0.323 184 R C 0.009 176.042 176.300 -0.445 0.000 1.067 184 R CA 0.128 55.883 56.100 -0.576 0.000 0.946 184 R CB 0.085 29.854 30.300 -0.886 0.000 0.991 184 R HN 0.740 nan 8.270 nan 0.000 0.448 185 I N 2.491 122.716 120.570 -0.574 0.000 2.494 185 I HA -0.016 4.155 4.170 0.001 0.000 0.250 185 I C 0.970 176.870 176.117 -0.361 0.000 1.112 185 I CA 1.037 62.112 61.300 -0.376 0.000 1.438 185 I CB -1.051 36.686 38.000 -0.438 0.000 1.111 185 I HN 0.758 nan 8.210 nan 0.000 0.431 186 T N -3.899 110.305 114.554 -0.582 0.000 2.908 186 T HA 0.392 4.743 4.350 0.001 0.000 0.290 186 T C -0.551 173.851 174.700 -0.497 0.000 1.034 186 T CA -0.537 61.330 62.100 -0.390 0.000 1.010 186 T CB 1.948 70.574 68.868 -0.404 0.000 1.068 186 T HN 0.182 nan 8.240 nan 0.000 0.481 187 W N 0.299 121.482 121.300 -0.196 0.000 2.714 187 W HA 0.226 4.887 4.660 0.001 0.000 0.353 187 W C 1.928 178.387 176.519 -0.101 0.000 0.999 187 W CA -0.060 57.206 57.345 -0.132 0.000 1.629 187 W CB 0.330 29.734 29.460 -0.093 0.000 1.106 187 W HN 0.915 nan 8.180 nan 0.000 0.545 188 T N -2.691 111.901 114.554 0.062 0.000 3.086 188 T HA 0.275 4.625 4.350 0.001 0.000 0.250 188 T C 1.253 175.943 174.700 -0.016 0.000 1.074 188 T CA 0.171 62.291 62.100 0.034 0.000 0.988 188 T CB -0.181 68.705 68.868 0.030 0.000 0.988 188 T HN 0.001 nan 8.240 nan 0.000 0.530 189 G N 1.346 110.105 108.800 -0.069 0.000 2.265 189 G HA2 0.337 4.298 3.960 0.001 0.000 0.240 189 G HA3 0.337 4.298 3.960 0.001 0.000 0.240 189 G C -0.578 174.254 174.900 -0.113 0.000 1.270 189 G CA -0.346 44.687 45.100 -0.110 0.000 0.901 189 G HN 0.560 nan 8.290 nan 0.000 0.507 190 K N 1.926 122.239 120.400 -0.145 0.000 2.616 190 K HA 0.154 4.474 4.320 0.001 0.000 0.255 190 K C -0.164 176.313 176.600 -0.205 0.000 0.995 190 K CA -0.639 55.566 56.287 -0.136 0.000 0.860 190 K CB 1.416 33.873 32.500 -0.072 0.000 1.264 190 K HN 0.609 nan 8.250 nan 0.000 0.451 191 E N 3.213 123.299 120.200 -0.190 0.000 2.820 191 E HA -0.163 4.187 4.350 0.001 0.000 0.251 191 E C -0.603 175.905 176.600 -0.154 0.000 0.944 191 E CA 1.129 57.415 56.400 -0.190 0.000 0.955 191 E CB 0.227 29.854 29.700 -0.123 0.000 0.904 191 E HN 0.657 nan 8.360 nan 0.000 0.513 192 D N 2.599 122.880 120.400 -0.198 0.000 3.079 192 D HA -0.232 4.409 4.640 0.001 0.000 0.214 192 D C 0.396 176.739 176.300 0.071 0.000 1.145 192 D CA 1.181 55.193 54.000 0.020 0.000 0.958 192 D CB -0.516 40.340 40.800 0.092 0.000 1.117 192 D HN 0.409 nan 8.370 nan 0.000 0.416 193 I N -1.082 119.436 120.570 -0.086 0.000 3.620 193 I HA 0.100 4.271 4.170 0.001 0.000 0.255 193 I C 0.606 176.792 176.117 0.115 0.000 1.124 193 I CA 0.356 61.697 61.300 0.069 0.000 1.526 193 I CB 0.131 38.149 38.000 0.031 0.000 1.681 193 I HN -0.150 nan 8.210 nan 0.000 0.420 194 I N 2.065 122.617 120.570 -0.030 0.000 2.362 194 I HA 0.245 4.416 4.170 0.001 0.000 0.289 194 I C -1.220 174.873 176.117 -0.039 0.000 0.994 194 I CA -0.494 60.847 61.300 0.068 0.000 1.158 194 I CB 0.613 38.640 38.000 0.046 0.000 1.315 194 I HN 0.071 nan 8.210 nan 0.000 0.451 195 Y N 4.732 125.122 120.300 0.150 0.000 2.402 195 Y HA 0.367 4.917 4.550 0.001 0.000 0.332 195 Y C 0.468 176.432 175.900 0.108 0.000 0.960 195 Y CA -0.761 57.429 58.100 0.151 0.000 1.228 195 Y CB 0.760 39.387 38.460 0.278 0.000 1.120 195 Y HN 0.416 nan 8.280 nan 0.000 0.491 196 N N 2.391 121.152 118.700 0.102 0.000 2.426 196 N HA 0.296 5.036 4.740 0.001 0.000 0.257 196 N C 0.924 176.378 175.510 -0.093 0.000 1.002 196 N CA 0.505 53.550 53.050 -0.009 0.000 0.942 196 N CB 1.761 40.145 38.487 -0.172 0.000 1.112 196 N HN 0.990 nan 8.380 nan 0.000 0.499 197 G N 1.678 110.446 108.800 -0.055 0.000 2.168 197 G HA2 -0.264 3.696 3.960 0.001 0.000 0.263 197 G HA3 -0.264 3.696 3.960 0.001 0.000 0.263 197 G C 0.130 174.887 174.900 -0.237 0.000 0.977 197 G CA 0.856 45.851 45.100 -0.176 0.000 0.659 197 G HN 0.678 nan 8.290 nan 0.000 0.533 198 I N -2.287 118.213 120.570 -0.116 0.000 2.934 198 I HA 0.826 4.997 4.170 0.001 0.000 0.306 198 I C 0.293 176.455 176.117 0.074 0.000 1.110 198 I CA -0.712 60.444 61.300 -0.239 0.000 1.019 198 I CB 2.052 39.731 38.000 -0.534 0.000 1.227 198 I HN 0.152 nan 8.210 nan 0.000 0.434 199 T N -0.376 114.163 114.554 -0.025 0.000 2.918 199 T HA 0.382 4.732 4.350 0.001 0.000 0.283 199 T C -0.165 174.383 174.700 -0.253 0.000 1.001 199 T CA -0.669 61.291 62.100 -0.233 0.000 1.041 199 T CB 1.270 70.066 68.868 -0.120 0.000 1.028 199 T HN 0.774 nan 8.240 nan 0.000 0.511 200 D N 0.375 120.348 120.400 -0.713 0.000 2.440 200 D HA 0.012 4.653 4.640 0.001 0.000 0.269 200 D C 1.021 177.268 176.300 -0.087 0.000 1.249 200 D CA -1.058 52.539 54.000 -0.671 0.000 1.055 200 D CB 0.082 40.372 40.800 -0.850 0.000 1.104 200 D HN 0.717 nan 8.370 nan 0.000 0.561 201 W N -0.020 121.246 121.300 -0.057 0.000 2.317 201 W HA -0.225 4.435 4.660 0.001 0.000 0.318 201 W C 2.160 178.600 176.519 -0.132 0.000 1.227 201 W CA 2.335 59.646 57.345 -0.056 0.000 1.269 201 W CB -0.394 28.979 29.460 -0.146 0.000 1.155 201 W HN 0.181 nan 8.180 nan 0.000 0.484 202 V N -0.381 119.643 119.914 0.183 0.000 2.488 202 V HA -0.252 3.869 4.120 0.001 0.000 0.246 202 V C 1.803 177.775 176.094 -0.204 0.000 1.046 202 V CA 1.814 64.121 62.300 0.012 0.000 1.053 202 V CB -0.693 31.120 31.823 -0.016 0.000 0.679 202 V HN 0.282 nan 8.190 nan 0.000 0.458 203 Y N 0.709 120.863 120.300 -0.242 0.000 2.242 203 Y HA -0.172 4.378 4.550 0.001 0.000 0.291 203 Y C 2.572 178.393 175.900 -0.132 0.000 1.137 203 Y CA 2.099 60.058 58.100 -0.235 0.000 1.181 203 Y CB -0.024 38.163 38.460 -0.455 0.000 0.989 203 Y HN 0.391 nan 8.280 nan 0.000 0.527 204 E N 0.408 120.593 120.200 -0.024 0.000 2.031 204 E HA -0.290 4.060 4.350 0.001 0.000 0.193 204 E C 2.032 178.605 176.600 -0.045 0.000 0.994 204 E CA 1.563 57.968 56.400 0.009 0.000 0.800 204 E CB -0.025 29.677 29.700 0.004 0.000 0.752 204 E HN 0.400 nan 8.360 nan 0.000 0.447 205 E N 0.303 120.297 120.200 -0.344 0.000 2.046 205 E HA -0.159 4.191 4.350 0.001 0.000 0.190 205 E C 1.638 178.150 176.600 -0.147 0.000 0.982 205 E CA 1.592 57.776 56.400 -0.359 0.000 0.800 205 E CB 0.139 29.298 29.700 -0.901 0.000 0.756 205 E HN 0.233 nan 8.360 nan 0.000 0.449 206 E N -0.892 119.200 120.200 -0.180 0.000 2.473 206 E HA 0.112 4.462 4.350 0.001 0.000 0.204 206 E C 1.517 178.007 176.600 -0.184 0.000 0.994 206 E CA 0.276 56.607 56.400 -0.114 0.000 0.945 206 E CB 1.148 30.770 29.700 -0.129 0.000 0.990 206 E HN 0.196 nan 8.360 nan 0.000 0.493 207 V N -0.654 119.109 119.914 -0.251 0.000 3.001 207 V HA 0.067 4.187 4.120 0.001 0.000 0.228 207 V C 1.311 177.187 176.094 -0.364 0.000 1.204 207 V CA 0.515 62.567 62.300 -0.415 0.000 1.247 207 V CB -0.211 31.214 31.823 -0.664 0.000 1.093 207 V HN 0.009 nan 8.190 nan 0.000 0.504 208 F N 0.923 120.904 119.950 0.051 0.000 2.754 208 F HA 0.263 4.790 4.527 0.001 0.000 0.297 208 F C 1.510 177.283 175.800 -0.046 0.000 1.122 208 F CA 0.313 58.351 58.000 0.064 0.000 1.400 208 F CB -0.337 38.745 39.000 0.137 0.000 1.117 208 F HN 0.084 nan 8.300 nan 0.000 0.587 209 S N 0.601 116.326 115.700 0.042 0.000 3.559 209 S HA 0.034 4.505 4.470 0.001 0.000 0.369 209 S C 0.039 174.200 174.600 -0.732 0.000 0.987 209 S CA 0.375 58.454 58.200 -0.202 0.000 1.187 209 S CB -1.880 61.265 63.200 -0.090 0.000 0.914 209 S HN 0.696 nan 8.310 nan 0.000 0.480 210 A N -0.387 122.225 122.820 -0.348 0.000 2.590 210 A HA 0.646 4.967 4.320 0.001 0.000 0.294 210 A C -0.284 177.274 177.584 -0.043 0.000 1.046 210 A CA -0.540 51.336 52.037 -0.268 0.000 0.684 210 A CB 0.227 19.086 19.000 -0.236 0.000 1.279 210 A HN 0.325 nan 8.150 nan 0.000 0.415 211 Y N 1.504 121.654 120.300 -0.249 0.000 2.420 211 Y HA 0.174 4.724 4.550 0.001 0.000 0.292 211 Y C 1.623 177.236 175.900 -0.478 0.000 1.119 211 Y CA 1.132 59.084 58.100 -0.246 0.000 1.229 211 Y CB 0.019 38.376 38.460 -0.172 0.000 1.026 211 Y HN 0.729 nan 8.280 nan 0.000 0.554 212 S N 0.550 115.722 115.700 -0.881 0.000 2.549 212 S HA 0.443 4.914 4.470 0.001 0.000 0.283 212 S C 0.278 174.356 174.600 -0.870 0.000 1.320 212 S CA 0.114 57.562 58.200 -1.254 0.000 1.058 212 S CB 0.534 62.616 63.200 -1.864 0.000 0.882 212 S HN 0.395 nan 8.310 nan 0.000 0.498 213 A N 5.688 128.014 122.820 -0.824 0.000 2.959 213 A HA 0.520 4.840 4.320 0.001 0.000 0.280 213 A C -0.547 176.361 177.584 -1.126 0.000 0.953 213 A CA -0.508 50.960 52.037 -0.948 0.000 1.047 213 A CB -0.064 18.826 19.000 -0.183 0.000 1.147 213 A HN 0.734 nan 8.150 nan 0.000 0.489 214 L N 0.425 120.865 121.223 -1.305 0.000 2.365 214 L HA 0.604 4.945 4.340 0.001 0.000 0.273 214 L C -1.113 175.235 176.870 -0.869 0.000 1.000 214 L CA -0.564 53.811 54.840 -0.775 0.000 0.819 214 L CB 1.904 43.730 42.059 -0.388 0.000 1.284 214 L HN 0.467 nan 8.230 nan 0.000 0.418 215 W N 2.477 123.812 121.300 0.058 0.000 2.591 215 W HA 0.221 4.882 4.660 0.001 0.000 0.311 215 W C -1.079 175.656 176.519 0.360 0.000 1.003 215 W CA -1.097 56.406 57.345 0.263 0.000 1.332 215 W CB 1.183 30.849 29.460 0.344 0.000 1.272 215 W HN 0.502 nan 8.180 nan 0.000 0.412 216 W N 2.653 124.165 121.300 0.354 0.000 2.210 216 W HA 0.164 4.825 4.660 0.001 0.000 0.330 216 W C 1.413 177.788 176.519 -0.240 0.000 1.334 216 W CA 0.449 57.867 57.345 0.122 0.000 1.227 216 W CB 0.726 30.230 29.460 0.074 0.000 1.178 216 W HN 0.195 nan 8.180 nan 0.000 0.560 217 S N 2.952 118.378 115.700 -0.457 0.000 2.584 217 S HA 0.141 4.612 4.470 0.001 0.000 0.270 217 S C -1.705 172.647 174.600 -0.415 0.000 1.346 217 S CA -1.010 56.398 58.200 -1.320 0.000 1.018 217 S CB 1.067 63.494 63.200 -1.287 0.000 0.899 217 S HN 0.303 nan 8.310 nan 0.000 0.542 218 P HA -0.105 nan 4.420 nan 0.000 0.218 218 P C 0.760 178.029 177.300 -0.052 0.000 1.148 218 P CA 1.375 64.442 63.100 -0.054 0.000 0.822 218 P CB -0.204 31.513 31.700 0.029 0.000 0.784 219 N N -1.928 116.722 118.700 -0.083 0.000 2.203 219 N HA 0.143 4.884 4.740 0.001 0.000 0.207 219 N C 1.095 176.523 175.510 -0.137 0.000 1.130 219 N CA 0.337 53.334 53.050 -0.088 0.000 0.861 219 N CB -0.673 37.779 38.487 -0.060 0.000 1.005 219 N HN 0.124 nan 8.380 nan 0.000 0.507 220 G N -0.729 107.996 108.800 -0.125 0.000 2.179 220 G HA2 -0.354 3.607 3.960 0.001 0.000 0.260 220 G HA3 -0.354 3.607 3.960 0.001 0.000 0.260 220 G C 0.976 175.897 174.900 0.036 0.000 0.977 220 G CA 0.816 45.845 45.100 -0.118 0.000 0.641 220 G HN 0.373 nan 8.290 nan 0.000 0.533 221 T N -0.022 114.475 114.554 -0.096 0.000 2.652 221 T HA 0.121 4.472 4.350 0.001 0.000 0.267 221 T C 0.883 175.427 174.700 -0.260 0.000 1.039 221 T CA 1.484 63.418 62.100 -0.276 0.000 1.153 221 T CB -0.103 68.440 68.868 -0.541 0.000 0.863 221 T HN 0.312 nan 8.240 nan 0.000 0.428 222 F N 0.122 120.116 119.950 0.073 0.000 2.458 222 F HA 0.630 5.157 4.527 0.001 0.000 0.330 222 F C -0.232 175.645 175.800 0.128 0.000 1.082 222 F CA -1.608 56.467 58.000 0.124 0.000 0.995 222 F CB 1.206 40.337 39.000 0.219 0.000 1.170 222 F HN -0.096 nan 8.300 nan 0.000 0.478 223 L N 2.765 124.141 121.223 0.254 0.000 2.342 223 L HA 0.790 5.130 4.340 0.001 0.000 0.276 223 L C -0.540 176.434 176.870 0.173 0.000 0.997 223 L CA -0.417 54.406 54.840 -0.029 0.000 0.838 223 L CB 0.767 42.495 42.059 -0.552 0.000 1.224 223 L HN 0.680 nan 8.230 nan 0.000 0.416 224 A N 4.699 127.704 122.820 0.309 0.000 2.316 224 A HA 0.723 5.044 4.320 0.001 0.000 0.284 224 A C -1.312 176.361 177.584 0.148 0.000 1.115 224 A CA -0.152 51.941 52.037 0.094 0.000 0.812 224 A CB 0.412 19.530 19.000 0.196 0.000 1.064 224 A HN 0.891 nan 8.150 nan 0.000 0.489 225 Y N -1.700 118.395 120.300 -0.341 0.000 2.592 225 Y HA 0.712 5.263 4.550 0.001 0.000 0.334 225 Y C -0.393 175.366 175.900 -0.236 0.000 1.136 225 Y CA -0.891 57.106 58.100 -0.171 0.000 1.042 225 Y CB 0.804 39.134 38.460 -0.217 0.000 1.325 225 Y HN 0.914 nan 8.280 nan 0.000 0.457 226 A N 2.774 125.670 122.820 0.128 0.000 2.312 226 A HA 0.648 4.968 4.320 0.001 0.000 0.328 226 A C -1.045 176.438 177.584 -0.167 0.000 1.158 226 A CA -0.824 51.156 52.037 -0.094 0.000 0.821 226 A CB 1.593 20.490 19.000 -0.171 0.000 1.170 226 A HN 0.810 nan 8.150 nan 0.000 0.490 227 Q N 1.294 120.939 119.800 -0.259 0.000 2.330 227 Q HA 0.585 4.925 4.340 0.001 0.000 0.269 227 Q C -1.996 173.784 176.000 -0.367 0.000 1.022 227 Q CA -0.361 55.377 55.803 -0.109 0.000 0.796 227 Q CB 0.981 29.863 28.738 0.239 0.000 1.271 227 Q HN 0.604 nan 8.270 nan 0.000 0.450 228 F N 2.342 122.393 119.950 0.168 0.000 2.443 228 F HA 0.389 4.917 4.527 0.001 0.000 0.335 228 F C 0.475 176.429 175.800 0.256 0.000 1.104 228 F CA -0.914 57.165 58.000 0.131 0.000 1.013 228 F CB 1.261 40.239 39.000 -0.037 0.000 1.136 228 F HN 0.426 nan 8.300 nan 0.000 0.470 229 N N 2.013 120.933 118.700 0.367 0.000 2.511 229 N HA 0.209 4.949 4.740 0.001 0.000 0.249 229 N C -0.812 174.875 175.510 0.295 0.000 0.971 229 N CA -0.292 52.939 53.050 0.300 0.000 0.938 229 N CB 0.954 39.563 38.487 0.202 0.000 1.131 229 N HN 0.550 nan 8.380 nan 0.000 0.505 230 D N 1.270 121.871 120.400 0.335 0.000 2.388 230 D HA 0.117 4.758 4.640 0.001 0.000 0.221 230 D C 1.216 177.639 176.300 0.206 0.000 1.133 230 D CA 0.156 54.330 54.000 0.288 0.000 0.831 230 D CB 0.530 41.563 40.800 0.389 0.000 0.962 230 D HN 0.464 nan 8.370 nan 0.000 0.502 231 T N 0.394 115.049 114.554 0.169 0.000 2.649 231 T HA -0.237 4.114 4.350 0.001 0.000 0.268 231 T C 1.336 176.095 174.700 0.099 0.000 1.036 231 T CA 1.429 63.599 62.100 0.118 0.000 1.157 231 T CB -0.068 68.858 68.868 0.096 0.000 0.861 231 T HN 0.320 nan 8.240 nan 0.000 0.445 232 E N 0.118 120.376 120.200 0.098 0.000 2.501 232 E HA 0.182 4.533 4.350 0.001 0.000 0.201 232 E C -0.436 176.213 176.600 0.082 0.000 1.016 232 E CA -0.247 56.199 56.400 0.077 0.000 0.920 232 E CB 0.664 30.402 29.700 0.063 0.000 1.023 232 E HN 0.201 nan 8.360 nan 0.000 0.474 233 V N 3.678 123.655 119.914 0.105 0.000 2.508 233 V HA 0.092 4.213 4.120 0.001 0.000 0.281 233 V C -2.002 174.149 176.094 0.095 0.000 1.041 233 V CA -1.421 60.944 62.300 0.108 0.000 1.016 233 V CB 0.250 32.157 31.823 0.139 0.000 0.984 233 V HN 0.045 nan 8.190 nan 0.000 0.478 234 P HA 0.288 nan 4.420 nan 0.000 0.272 234 P C -0.765 176.573 177.300 0.064 0.000 1.230 234 P CA -0.347 62.790 63.100 0.062 0.000 0.788 234 P CB 0.513 32.246 31.700 0.055 0.000 0.949 235 L N 1.997 123.236 121.223 0.028 0.000 2.289 235 L HA 0.400 4.740 4.340 0.001 0.000 0.285 235 L C 0.457 177.284 176.870 -0.072 0.000 1.049 235 L CA -0.961 53.878 54.840 -0.001 0.000 0.804 235 L CB 0.789 42.842 42.059 -0.012 0.000 1.195 235 L HN 0.290 nan 8.230 nan 0.000 0.428 236 I N 2.910 123.387 120.570 -0.154 0.000 2.529 236 I HA 0.130 4.300 4.170 0.001 0.000 0.284 236 I C -0.107 175.866 176.117 -0.240 0.000 1.082 236 I CA 0.379 61.485 61.300 -0.324 0.000 1.406 236 I CB 0.458 37.980 38.000 -0.798 0.000 1.405 236 I HN 0.580 nan 8.210 nan 0.000 0.548 237 E N 7.532 127.610 120.200 -0.204 0.000 2.222 237 E HA 0.519 4.869 4.350 0.001 0.000 0.267 237 E C -1.708 174.825 176.600 -0.111 0.000 0.884 237 E CA -0.602 55.678 56.400 -0.200 0.000 0.764 237 E CB 2.008 31.621 29.700 -0.146 0.000 1.169 237 E HN 0.567 nan 8.360 nan 0.000 0.413 238 Y N -1.872 118.343 120.300 -0.141 0.000 2.609 238 Y HA 0.519 5.070 4.550 0.001 0.000 0.336 238 Y C -0.732 175.103 175.900 -0.109 0.000 1.129 238 Y CA -1.280 56.746 58.100 -0.124 0.000 1.040 238 Y CB 0.837 39.232 38.460 -0.109 0.000 1.310 238 Y HN 0.212 nan 8.280 nan 0.000 0.460 239 S N 1.946 117.645 115.700 -0.002 0.000 2.565 239 S HA 0.462 4.933 4.470 0.001 0.000 0.276 239 S C -1.353 173.126 174.600 -0.201 0.000 1.326 239 S CA -0.349 57.700 58.200 -0.253 0.000 1.045 239 S CB 0.344 63.223 63.200 -0.535 0.000 0.918 239 S HN 0.530 nan 8.310 nan 0.000 0.505 240 F N 2.193 121.905 119.950 -0.396 0.000 2.493 240 F HA 0.442 4.970 4.527 0.001 0.000 0.329 240 F C -0.266 175.336 175.800 -0.331 0.000 1.126 240 F CA -0.821 57.043 58.000 -0.227 0.000 0.937 240 F CB 0.917 39.898 39.000 -0.030 0.000 1.146 240 F HN 0.657 nan 8.300 nan 0.000 0.442 241 Y N 2.682 122.776 120.300 -0.342 0.000 2.436 241 Y HA 0.151 4.702 4.550 0.001 0.000 0.288 241 Y C 1.654 177.487 175.900 -0.111 0.000 1.112 241 Y CA 1.091 59.087 58.100 -0.174 0.000 1.220 241 Y CB -0.329 38.018 38.460 -0.189 0.000 1.073 241 Y HN 0.752 nan 8.280 nan 0.000 0.552 242 S N -0.288 115.330 115.700 -0.138 0.000 3.569 242 S HA -0.214 4.257 4.470 0.001 0.000 0.635 242 S C -0.665 173.980 174.600 0.075 0.000 2.396 242 S CA 0.243 58.505 58.200 0.104 0.000 2.612 242 S CB -1.238 62.132 63.200 0.283 0.000 0.331 242 S HN 0.430 nan 8.310 nan 0.000 1.764 243 D N 1.597 122.063 120.400 0.109 0.000 2.368 243 D HA 0.175 4.816 4.640 0.001 0.000 0.240 243 D C 1.397 177.732 176.300 0.058 0.000 1.169 243 D CA 0.390 54.434 54.000 0.074 0.000 0.906 243 D CB 0.225 41.071 40.800 0.076 0.000 1.187 243 D HN 0.614 nan 8.370 nan 0.000 0.435 244 E N 0.580 120.802 120.200 0.037 0.000 2.147 244 E HA -0.262 4.089 4.350 0.001 0.000 0.199 244 E C 1.546 178.162 176.600 0.026 0.000 1.005 244 E CA 1.558 57.971 56.400 0.023 0.000 0.810 244 E CB 0.123 29.830 29.700 0.012 0.000 0.736 244 E HN 0.458 nan 8.360 nan 0.000 0.460 245 S N 0.102 115.823 115.700 0.035 0.000 2.474 245 S HA -0.137 4.333 4.470 0.001 0.000 0.235 245 S C 0.920 175.547 174.600 0.046 0.000 0.997 245 S CA 0.038 58.259 58.200 0.035 0.000 0.949 245 S CB -0.164 63.059 63.200 0.038 0.000 0.766 245 S HN 0.223 nan 8.310 nan 0.000 0.517 246 L N 2.543 123.803 121.223 0.062 0.000 2.385 246 L HA 0.291 4.632 4.340 0.001 0.000 0.281 246 L C 1.398 178.307 176.870 0.065 0.000 1.106 246 L CA 0.120 55.009 54.840 0.080 0.000 0.856 246 L CB 0.535 42.658 42.059 0.106 0.000 1.186 246 L HN 0.283 nan 8.230 nan 0.000 0.453 247 Q N 3.966 123.806 119.800 0.068 0.000 2.046 247 Q HA -0.096 4.244 4.340 0.001 0.000 0.200 247 Q C -0.494 175.436 176.000 -0.116 0.000 0.975 247 Q CA 1.396 57.189 55.803 -0.018 0.000 0.836 247 Q CB 0.120 28.868 28.738 0.018 0.000 0.896 247 Q HN 0.676 nan 8.270 nan 0.000 0.428 248 Y N 0.664 120.980 120.300 0.027 0.000 2.352 248 Y HA 0.382 4.933 4.550 0.001 0.000 0.339 248 Y C -2.000 173.912 175.900 0.020 0.000 0.992 248 Y CA -2.937 55.176 58.100 0.021 0.000 1.100 248 Y CB 1.317 39.780 38.460 0.006 0.000 1.192 248 Y HN 0.179 nan 8.280 nan 0.000 0.458 249 P HA 0.026 nan 4.420 nan 0.000 0.269 249 P C -0.955 176.355 177.300 0.016 0.000 1.217 249 P CA -0.536 62.581 63.100 0.028 0.000 0.783 249 P CB 0.664 32.295 31.700 -0.116 0.000 0.898 250 K N 0.538 120.934 120.400 -0.008 0.000 2.130 250 K HA 0.400 4.721 4.320 0.001 0.000 0.268 250 K C -0.856 175.699 176.600 -0.074 0.000 0.983 250 K CA -0.434 55.849 56.287 -0.007 0.000 0.893 250 K CB 0.588 33.113 32.500 0.042 0.000 1.066 250 K HN 0.281 nan 8.250 nan 0.000 0.450 251 T N 3.161 117.656 114.554 -0.098 0.000 2.744 251 T HA 0.229 4.580 4.350 0.001 0.000 0.291 251 T C -0.501 174.075 174.700 -0.207 0.000 0.957 251 T CA -0.687 61.318 62.100 -0.158 0.000 1.002 251 T CB 0.996 69.786 68.868 -0.129 0.000 0.919 251 T HN 0.356 nan 8.240 nan 0.000 0.468 252 V N 5.374 125.067 119.914 -0.368 0.000 2.465 252 V HA 0.442 4.562 4.120 0.001 0.000 0.279 252 V C 0.428 176.260 176.094 -0.438 0.000 1.045 252 V CA -0.619 61.420 62.300 -0.436 0.000 0.938 252 V CB 0.905 32.313 31.823 -0.691 0.000 0.986 252 V HN 0.727 nan 8.190 nan 0.000 0.467 253 R N 3.409 123.781 120.500 -0.213 0.000 2.476 253 R HA 0.717 5.058 4.340 0.001 0.000 0.305 253 R C -1.687 174.606 176.300 -0.011 0.000 0.965 253 R CA -0.563 55.459 56.100 -0.131 0.000 0.867 253 R CB 2.227 32.480 30.300 -0.078 0.000 1.176 253 R HN 0.520 nan 8.270 nan 0.000 0.447 254 V N 4.222 124.132 119.914 -0.007 0.000 2.483 254 V HA 0.328 4.449 4.120 0.001 0.000 0.297 254 V C -2.362 173.789 176.094 0.094 0.000 1.027 254 V CA -2.451 59.913 62.300 0.106 0.000 0.855 254 V CB 2.110 33.945 31.823 0.020 0.000 0.995 254 V HN 0.614 nan 8.190 nan 0.000 0.424 255 P HA 0.166 nan 4.420 nan 0.000 0.265 255 P C -1.315 176.092 177.300 0.179 0.000 1.222 255 P CA 0.317 63.529 63.100 0.186 0.000 0.767 255 P CB -0.166 31.688 31.700 0.258 0.000 0.801 256 Y N 6.399 126.673 120.300 -0.045 0.000 2.307 256 Y HA 0.386 4.937 4.550 0.001 0.000 0.323 256 Y C -2.769 173.095 175.900 -0.061 0.000 1.100 256 Y CA -2.780 55.233 58.100 -0.145 0.000 1.140 256 Y CB 1.866 40.117 38.460 -0.349 0.000 1.159 256 Y HN 0.277 nan 8.280 nan 0.000 0.436 257 P HA 0.291 nan 4.420 nan 0.000 0.292 257 P C -0.948 176.372 177.300 0.035 0.000 1.326 257 P CA -0.290 62.832 63.100 0.038 0.000 0.787 257 P CB 1.420 33.134 31.700 0.023 0.000 0.903 258 K N 1.926 122.438 120.400 0.187 0.000 2.120 258 K HA 0.504 4.824 4.320 0.001 0.000 0.245 258 K C 0.548 177.239 176.600 0.151 0.000 1.024 258 K CA -0.703 55.717 56.287 0.221 0.000 0.906 258 K CB 0.451 33.111 32.500 0.267 0.000 1.051 258 K HN 0.450 nan 8.250 nan 0.000 0.491 259 A N 0.841 123.780 122.820 0.198 0.000 2.561 259 A HA 0.286 4.606 4.320 0.001 0.000 0.251 259 A C 1.171 178.788 177.584 0.055 0.000 1.062 259 A CA 1.038 53.180 52.037 0.175 0.000 0.761 259 A CB -1.293 17.911 19.000 0.340 0.000 0.986 259 A HN 0.892 nan 8.150 nan 0.000 0.510 260 G N 1.063 109.883 108.800 0.034 0.000 2.217 260 G HA2 0.131 4.092 3.960 0.001 0.000 0.246 260 G HA3 0.131 4.092 3.960 0.001 0.000 0.246 260 G C 0.681 175.588 174.900 0.012 0.000 0.990 260 G CA 0.544 45.637 45.100 -0.011 0.000 0.627 260 G HN 2.165 nan 8.290 nan 0.000 0.522 261 A N 0.007 122.852 122.820 0.040 0.000 2.296 261 A HA 0.699 5.020 4.320 0.001 0.000 0.264 261 A C 0.943 178.553 177.584 0.045 0.000 1.097 261 A CA 0.385 52.450 52.037 0.047 0.000 0.811 261 A CB 0.572 19.614 19.000 0.071 0.000 1.072 261 A HN 1.217 nan 8.150 nan 0.000 0.495 262 V N 2.179 122.121 119.914 0.046 0.000 2.493 262 V HA -0.033 4.088 4.120 0.001 0.000 0.292 262 V C 0.722 176.856 176.094 0.067 0.000 1.016 262 V CA 0.447 62.776 62.300 0.048 0.000 1.097 262 V CB -0.673 31.179 31.823 0.049 0.000 0.947 262 V HN 0.865 nan 8.190 nan 0.000 0.479 263 N N 5.918 124.656 118.700 0.065 0.000 2.495 263 N HA 0.408 5.149 4.740 0.001 0.000 0.280 263 N C -2.421 173.170 175.510 0.134 0.000 1.168 263 N CA -1.387 51.723 53.050 0.100 0.000 0.978 263 N CB 1.233 39.770 38.487 0.082 0.000 1.191 263 N HN 0.459 nan 8.380 nan 0.000 0.497 264 P HA 0.005 nan 4.420 nan 0.000 0.269 264 P C -0.616 176.839 177.300 0.259 0.000 1.215 264 P CA -0.062 63.198 63.100 0.267 0.000 0.780 264 P CB 0.434 32.354 31.700 0.367 0.000 0.898 265 T N -1.262 113.422 114.554 0.217 0.000 2.927 265 T HA 0.569 4.919 4.350 0.001 0.000 0.281 265 T C -0.244 174.588 174.700 0.220 0.000 0.998 265 T CA -0.829 61.362 62.100 0.151 0.000 1.019 265 T CB 1.475 70.395 68.868 0.086 0.000 1.061 265 T HN 0.322 nan 8.240 nan 0.000 0.518 266 V N 0.681 120.698 119.914 0.172 0.000 2.841 266 V HA 0.716 4.837 4.120 0.001 0.000 0.310 266 V C -1.394 174.781 176.094 0.134 0.000 1.090 266 V CA -0.804 61.564 62.300 0.114 0.000 0.930 266 V CB 2.002 33.952 31.823 0.211 0.000 1.014 266 V HN 1.045 nan 8.190 nan 0.000 0.425 267 K N 4.562 124.968 120.400 0.011 0.000 2.443 267 K HA 0.612 4.933 4.320 0.001 0.000 0.251 267 K C -1.944 174.566 176.600 -0.151 0.000 0.972 267 K CA -0.582 55.678 56.287 -0.045 0.000 0.833 267 K CB 2.899 35.331 32.500 -0.114 0.000 1.317 267 K HN 0.547 nan 8.250 nan 0.000 0.441 268 F N 1.854 121.486 119.950 -0.531 0.000 2.547 268 F HA 0.557 5.084 4.527 0.001 0.000 0.316 268 F C -1.606 173.672 175.800 -0.870 0.000 1.121 268 F CA -0.665 57.020 58.000 -0.525 0.000 0.911 268 F CB 0.941 39.765 39.000 -0.293 0.000 1.179 268 F HN 0.386 nan 8.300 nan 0.000 0.443 269 F N 4.105 123.312 119.950 -1.238 0.000 2.588 269 F HA 0.764 5.292 4.527 0.001 0.000 0.314 269 F C -0.983 174.166 175.800 -1.084 0.000 1.069 269 F CA -1.220 56.163 58.000 -1.027 0.000 0.931 269 F CB 2.160 40.455 39.000 -1.174 0.000 1.260 269 F HN 0.129 nan 8.300 nan 0.000 0.465 270 V N 2.621 122.314 119.914 -0.369 0.000 2.577 270 V HA 0.601 4.722 4.120 0.001 0.000 0.303 270 V C -1.093 175.087 176.094 0.144 0.000 1.042 270 V CA -0.840 61.332 62.300 -0.213 0.000 0.872 270 V CB 1.897 33.380 31.823 -0.567 0.000 0.998 270 V HN 0.606 nan 8.190 nan 0.000 0.423 271 V N 4.101 124.172 119.914 0.261 0.000 2.628 271 V HA 0.576 4.697 4.120 0.001 0.000 0.306 271 V C -0.297 176.031 176.094 0.390 0.000 1.045 271 V CA -0.616 61.867 62.300 0.305 0.000 0.905 271 V CB 2.132 34.076 31.823 0.201 0.000 0.997 271 V HN 0.926 nan 8.190 nan 0.000 0.436 272 N N 3.395 122.302 118.700 0.345 0.000 2.406 272 N HA 0.135 4.875 4.740 0.001 0.000 0.251 272 N C 1.003 176.514 175.510 0.003 0.000 1.069 272 N CA 0.599 53.733 53.050 0.139 0.000 0.947 272 N CB 1.585 40.127 38.487 0.092 0.000 1.111 272 N HN 0.905 nan 8.380 nan 0.000 0.497 273 T N -0.465 114.075 114.554 -0.022 0.000 3.148 273 T HA 0.067 4.417 4.350 0.001 0.000 0.253 273 T C 0.607 175.258 174.700 -0.081 0.000 1.134 273 T CA 0.404 62.492 62.100 -0.020 0.000 1.051 273 T CB 0.177 69.135 68.868 0.149 0.000 0.959 273 T HN 0.201 nan 8.240 nan 0.000 0.525 274 D N 1.922 122.248 120.400 -0.124 0.000 2.333 274 D HA 0.067 4.708 4.640 0.001 0.000 0.208 274 D C 1.403 177.638 176.300 -0.109 0.000 0.984 274 D CA 0.694 54.621 54.000 -0.123 0.000 0.873 274 D CB 0.199 40.904 40.800 -0.157 0.000 0.935 274 D HN 0.630 nan 8.370 nan 0.000 0.521 275 S N -0.321 115.315 115.700 -0.107 0.000 2.581 275 S HA 0.300 4.770 4.470 0.001 0.000 0.245 275 S C 0.381 174.915 174.600 -0.111 0.000 1.115 275 S CA -0.593 57.562 58.200 -0.076 0.000 1.093 275 S CB -0.252 62.935 63.200 -0.023 0.000 0.853 275 S HN -0.025 nan 8.310 nan 0.000 0.479 276 L N 1.743 122.821 121.223 -0.242 0.000 2.452 276 L HA 0.549 4.889 4.340 0.001 0.000 0.267 276 L C 0.568 177.261 176.870 -0.295 0.000 1.188 276 L CA -0.171 54.418 54.840 -0.419 0.000 0.821 276 L CB 1.231 42.690 42.059 -1.000 0.000 1.102 276 L HN 0.368 nan 8.230 nan 0.000 0.470 277 S N -0.490 115.149 115.700 -0.102 0.000 2.541 277 S HA 0.309 4.779 4.470 0.001 0.000 0.280 277 S C 0.534 175.341 174.600 0.345 0.000 1.112 277 S CA -0.632 57.647 58.200 0.132 0.000 0.925 277 S CB 1.942 65.192 63.200 0.084 0.000 1.067 277 S HN 0.583 nan 8.310 nan 0.000 0.479 278 S N 2.262 118.161 115.700 0.332 0.000 2.406 278 S HA -0.053 4.418 4.470 0.001 0.000 0.228 278 S C 1.708 176.401 174.600 0.154 0.000 1.020 278 S CA 1.122 59.457 58.200 0.225 0.000 0.965 278 S CB -0.146 63.132 63.200 0.131 0.000 0.798 278 S HN 0.599 nan 8.310 nan 0.000 0.488 279 V N 1.015 121.005 119.914 0.127 0.000 2.535 279 V HA 0.032 4.153 4.120 0.001 0.000 0.246 279 V C 0.865 177.009 176.094 0.083 0.000 1.045 279 V CA 0.961 63.314 62.300 0.087 0.000 1.058 279 V CB -0.622 31.240 31.823 0.065 0.000 0.689 279 V HN 0.362 nan 8.190 nan 0.000 0.461 280 T N 0.673 115.283 114.554 0.095 0.000 2.855 280 T HA 0.368 4.718 4.350 0.001 0.000 0.281 280 T C -0.230 174.534 174.700 0.106 0.000 1.007 280 T CA -0.554 61.591 62.100 0.074 0.000 1.009 280 T CB 1.243 70.144 68.868 0.055 0.000 0.983 280 T HN 0.114 nan 8.240 nan 0.000 0.455 281 N N 1.872 120.622 118.700 0.083 0.000 2.454 281 N HA 0.310 5.051 4.740 0.001 0.000 0.254 281 N C 0.190 175.767 175.510 0.111 0.000 1.228 281 N CA -0.110 53.019 53.050 0.132 0.000 0.900 281 N CB 0.540 39.048 38.487 0.035 0.000 1.089 281 N HN 0.847 nan 8.380 nan 0.000 0.449 282 A N 1.876 124.777 122.820 0.135 0.000 2.498 282 A HA 0.214 4.534 4.320 0.001 0.000 0.239 282 A C 0.274 177.908 177.584 0.083 0.000 1.068 282 A CA 0.137 52.223 52.037 0.082 0.000 0.766 282 A CB 0.025 19.055 19.000 0.050 0.000 1.003 282 A HN 0.546 nan 8.150 nan 0.000 0.497 283 T N 2.654 117.260 114.554 0.087 0.000 2.744 283 T HA 0.427 4.778 4.350 0.001 0.000 0.291 283 T C 0.099 174.882 174.700 0.139 0.000 0.957 283 T CA -0.000 62.162 62.100 0.103 0.000 1.002 283 T CB 0.697 69.632 68.868 0.110 0.000 0.919 283 T HN 0.552 nan 8.240 nan 0.000 0.468 284 S N 3.722 119.499 115.700 0.128 0.000 2.462 284 S HA 0.453 4.923 4.470 0.001 0.000 0.294 284 S C 0.109 174.862 174.600 0.254 0.000 1.144 284 S CA -0.826 57.477 58.200 0.171 0.000 1.088 284 S CB 0.418 63.648 63.200 0.050 0.000 1.009 284 S HN 0.479 nan 8.310 nan 0.000 0.484 285 I N 3.303 124.039 120.570 0.277 0.000 2.312 285 I HA 0.255 4.425 4.170 0.001 0.000 0.291 285 I C 0.615 176.845 176.117 0.188 0.000 1.031 285 I CA -0.217 61.250 61.300 0.278 0.000 1.293 285 I CB 0.628 38.873 38.000 0.407 0.000 1.403 285 I HN 0.670 nan 8.210 nan 0.000 0.484 286 Q N 6.038 125.927 119.800 0.148 0.000 2.314 286 Q HA 0.427 4.768 4.340 0.001 0.000 0.258 286 Q C -0.928 175.015 176.000 -0.094 0.000 0.954 286 Q CA -0.297 55.404 55.803 -0.170 0.000 0.890 286 Q CB 1.146 29.735 28.738 -0.249 0.000 1.210 286 Q HN 0.552 nan 8.270 nan 0.000 0.410 287 I N 4.037 124.533 120.570 -0.123 0.000 2.354 287 I HA 0.189 4.359 4.170 0.001 0.000 0.286 287 I C 0.326 176.436 176.117 -0.012 0.000 1.007 287 I CA -0.664 60.634 61.300 -0.003 0.000 1.167 287 I CB 1.446 39.487 38.000 0.070 0.000 1.320 287 I HN 0.654 nan 8.210 nan 0.000 0.458 288 T N 3.061 117.566 114.554 -0.082 0.000 2.904 288 T HA 0.640 4.990 4.350 0.001 0.000 0.290 288 T C 0.400 174.892 174.700 -0.347 0.000 1.018 288 T CA -0.804 61.186 62.100 -0.183 0.000 1.075 288 T CB 1.561 70.324 68.868 -0.175 0.000 0.986 288 T HN 0.581 nan 8.240 nan 0.000 0.523 289 A N 3.355 125.711 122.820 -0.773 0.000 2.425 289 A HA 0.551 4.872 4.320 0.001 0.000 0.242 289 A C -2.102 174.995 177.584 -0.811 0.000 1.077 289 A CA -1.412 49.734 52.037 -1.486 0.000 0.781 289 A CB -0.928 16.753 19.000 -2.198 0.000 1.020 289 A HN 0.752 nan 8.150 nan 0.000 0.494 290 P HA 0.162 nan 4.420 nan 0.000 0.268 290 P C 0.841 177.933 177.300 -0.347 0.000 1.208 290 P CA 0.664 63.537 63.100 -0.378 0.000 0.777 290 P CB 0.559 32.103 31.700 -0.260 0.000 0.875 291 A N 2.351 125.037 122.820 -0.224 0.000 1.948 291 A HA -0.227 4.093 4.320 0.001 0.000 0.220 291 A C 2.137 179.618 177.584 -0.172 0.000 1.177 291 A CA 2.453 54.380 52.037 -0.182 0.000 0.636 291 A CB -1.832 17.094 19.000 -0.123 0.000 0.815 291 A HN 0.638 nan 8.150 nan 0.000 0.449 292 S N -1.311 114.306 115.700 -0.138 0.000 2.469 292 S HA -0.111 4.360 4.470 0.001 0.000 0.238 292 S C 1.751 176.271 174.600 -0.134 0.000 0.998 292 S CA 1.585 59.723 58.200 -0.102 0.000 0.957 292 S CB -0.329 62.880 63.200 0.014 0.000 0.764 292 S HN 0.421 nan 8.310 nan 0.000 0.514 293 M N 0.802 120.256 119.600 -0.243 0.000 2.429 293 M HA 0.340 4.821 4.480 0.001 0.000 0.265 293 M C 2.082 178.133 176.300 -0.416 0.000 1.120 293 M CA 0.715 55.795 55.300 -0.367 0.000 1.173 293 M CB -1.198 31.008 32.600 -0.657 0.000 1.343 293 M HN 0.320 nan 8.290 nan 0.000 0.464 294 L N 1.024 122.001 121.223 -0.409 0.000 2.265 294 L HA -0.152 4.188 4.340 0.001 0.000 0.215 294 L C 2.340 179.154 176.870 -0.093 0.000 1.117 294 L CA 0.650 55.346 54.840 -0.239 0.000 0.782 294 L CB -0.919 41.004 42.059 -0.227 0.000 0.914 294 L HN 0.310 nan 8.230 nan 0.000 0.441 295 I N -2.353 118.156 120.570 -0.102 0.000 2.530 295 I HA 0.007 4.178 4.170 0.001 0.000 0.257 295 I C 1.129 177.227 176.117 -0.032 0.000 1.179 295 I CA 1.013 62.274 61.300 -0.066 0.000 1.440 295 I CB -0.582 37.368 38.000 -0.083 0.000 1.087 295 I HN 0.112 nan 8.210 nan 0.000 0.440 296 G N -0.217 108.585 108.800 0.004 0.000 2.706 296 G HA2 0.297 4.258 3.960 0.001 0.000 0.307 296 G HA3 0.297 4.258 3.960 0.001 0.000 0.307 296 G C -1.789 173.160 174.900 0.083 0.000 1.307 296 G CA -0.606 44.507 45.100 0.021 0.000 0.790 296 G HN 0.030 nan 8.290 nan 0.000 0.503 297 D N 1.212 121.606 120.400 -0.009 0.000 2.472 297 D HA 0.415 5.056 4.640 0.001 0.000 0.237 297 D C 0.432 176.666 176.300 -0.111 0.000 1.141 297 D CA 0.869 54.798 54.000 -0.117 0.000 0.875 297 D CB 0.350 41.057 40.800 -0.155 0.000 1.192 297 D HN 0.570 nan 8.370 nan 0.000 0.450 298 H N -1.046 117.872 119.070 -0.253 0.000 2.932 298 H HA 0.393 4.950 4.556 0.001 0.000 0.307 298 H C -1.443 173.723 175.328 -0.269 0.000 1.391 298 H CA -0.818 55.088 56.048 -0.236 0.000 1.130 298 H CB 0.219 29.981 29.762 -0.000 0.000 1.836 298 H HN 0.303 nan 8.280 nan 0.000 0.522 299 Y N 0.069 120.614 120.300 0.408 0.000 2.570 299 Y HA 0.429 4.980 4.550 0.001 0.000 0.345 299 Y C -0.309 175.897 175.900 0.509 0.000 1.014 299 Y CA -1.184 57.160 58.100 0.408 0.000 1.063 299 Y CB 1.871 40.403 38.460 0.121 0.000 1.272 299 Y HN 0.478 nan 8.280 nan 0.000 0.477 300 L N 2.748 124.332 121.223 0.602 0.000 2.265 300 L HA 0.395 4.736 4.340 0.001 0.000 0.288 300 L C 0.387 177.331 176.870 0.124 0.000 1.058 300 L CA -0.224 54.634 54.840 0.029 0.000 0.809 300 L CB 0.460 42.427 42.059 -0.154 0.000 1.179 300 L HN 0.998 nan 8.230 nan 0.000 0.429 301 C N 1.154 120.377 119.300 -0.128 0.000 3.403 301 C HA 0.493 4.953 4.460 0.001 0.000 0.317 301 C C 0.228 175.070 174.990 -0.246 0.000 1.346 301 C CA -0.431 58.433 59.018 -0.255 0.000 1.743 301 C CB -0.521 27.122 27.740 -0.162 0.000 2.308 301 C HN 0.830 nan 8.230 nan 0.000 0.675 302 D N 0.432 120.722 120.400 -0.183 0.000 2.927 302 D HA 0.475 5.115 4.640 0.001 0.000 0.219 302 D C -1.813 174.236 176.300 -0.418 0.000 1.248 302 D CA 0.114 54.027 54.000 -0.146 0.000 0.861 302 D CB 2.932 43.631 40.800 -0.167 0.000 1.677 302 D HN 0.071 nan 8.370 nan 0.000 0.511 303 V N 2.451 122.043 119.914 -0.537 0.000 2.525 303 V HA 0.537 4.658 4.120 0.001 0.000 0.299 303 V C -0.400 175.317 176.094 -0.628 0.000 1.034 303 V CA -0.409 61.327 62.300 -0.940 0.000 0.863 303 V CB 1.939 32.651 31.823 -1.852 0.000 0.999 303 V HN 0.628 nan 8.190 nan 0.000 0.423 304 T N 3.539 117.807 114.554 -0.476 0.000 3.031 304 T HA 0.334 4.684 4.350 0.001 0.000 0.305 304 T C -0.864 173.701 174.700 -0.226 0.000 0.985 304 T CA -0.455 61.526 62.100 -0.198 0.000 1.008 304 T CB 0.742 69.570 68.868 -0.065 0.000 1.005 304 T HN 0.529 nan 8.240 nan 0.000 0.444 305 W N 2.314 123.563 121.300 -0.084 0.000 2.251 305 W HA 0.447 5.107 4.660 0.001 0.000 0.327 305 W C 1.203 177.604 176.519 -0.197 0.000 1.361 305 W CA -0.279 57.007 57.345 -0.099 0.000 1.234 305 W CB 0.512 29.999 29.460 0.044 0.000 1.212 305 W HN 0.861 nan 8.180 nan 0.000 0.557 306 A N 2.291 124.976 122.820 -0.225 0.000 1.887 306 A HA 0.154 4.475 4.320 0.001 0.000 0.210 306 A C 1.007 178.550 177.584 -0.069 0.000 1.221 306 A CA 1.629 53.294 52.037 -0.618 0.000 0.635 306 A CB -0.470 17.660 19.000 -1.450 0.000 0.881 306 A HN 0.539 nan 8.150 nan 0.000 0.456 307 T N -5.667 108.947 114.554 0.099 0.000 2.626 307 T HA 0.358 4.708 4.350 0.001 0.000 0.279 307 T C 0.306 175.173 174.700 0.278 0.000 0.983 307 T CA -0.366 61.842 62.100 0.180 0.000 1.059 307 T CB 0.638 69.596 68.868 0.150 0.000 1.396 307 T HN -0.017 nan 8.240 nan 0.000 0.519 308 Q N 0.419 120.346 119.800 0.211 0.000 2.234 308 Q HA -0.015 4.326 4.340 0.001 0.000 0.206 308 Q C 0.922 177.165 176.000 0.406 0.000 0.980 308 Q CA 1.611 57.539 55.803 0.208 0.000 0.869 308 Q CB -0.176 28.649 28.738 0.144 0.000 0.912 308 Q HN 0.830 nan 8.270 nan 0.000 0.436 309 E N -0.450 120.005 120.200 0.426 0.000 2.810 309 E HA 0.189 4.540 4.350 0.001 0.000 0.214 309 E C -0.197 176.695 176.600 0.487 0.000 0.980 309 E CA -0.175 56.499 56.400 0.457 0.000 1.159 309 E CB 1.076 30.943 29.700 0.278 0.000 1.047 309 E HN -0.038 nan 8.360 nan 0.000 0.484 310 R N 1.651 122.454 120.500 0.505 0.000 2.514 310 R HA 0.509 4.850 4.340 0.001 0.000 0.296 310 R C -1.703 174.631 176.300 0.057 0.000 1.012 310 R CA -0.430 55.831 56.100 0.268 0.000 0.897 310 R CB 1.265 31.608 30.300 0.072 0.000 1.184 310 R HN 0.052 nan 8.270 nan 0.000 0.440 311 I N 3.253 123.691 120.570 -0.221 0.000 2.569 311 I HA 0.406 4.576 4.170 0.001 0.000 0.296 311 I C -0.786 175.021 176.117 -0.516 0.000 1.028 311 I CA -0.509 60.378 61.300 -0.688 0.000 1.082 311 I CB 2.161 39.327 38.000 -1.390 0.000 1.264 311 I HN 0.837 nan 8.210 nan 0.000 0.429 312 S N 7.819 123.199 115.700 -0.533 0.000 2.501 312 S HA 0.795 5.266 4.470 0.001 0.000 0.301 312 S C -0.983 173.302 174.600 -0.525 0.000 1.096 312 S CA -0.693 57.274 58.200 -0.389 0.000 1.063 312 S CB 1.431 64.522 63.200 -0.180 0.000 1.042 312 S HN 0.538 nan 8.310 nan 0.000 0.494 313 L N 1.707 122.629 121.223 -0.502 0.000 2.401 313 L HA 0.607 4.947 4.340 0.001 0.000 0.266 313 L C -0.565 176.008 176.870 -0.494 0.000 0.991 313 L CA -0.940 53.490 54.840 -0.683 0.000 0.818 313 L CB 1.930 43.407 42.059 -0.970 0.000 1.321 313 L HN 0.636 nan 8.230 nan 0.000 0.413 314 Q N 1.226 120.713 119.800 -0.522 0.000 2.316 314 Q HA 0.479 4.820 4.340 0.001 0.000 0.264 314 Q C -1.739 174.024 176.000 -0.396 0.000 0.987 314 Q CA -0.513 55.101 55.803 -0.314 0.000 0.852 314 Q CB 2.409 31.027 28.738 -0.201 0.000 1.287 314 Q HN 0.447 nan 8.270 nan 0.000 0.448 315 W N 2.282 123.538 121.300 -0.074 0.000 2.639 315 W HA 0.633 5.294 4.660 0.001 0.000 0.347 315 W C -0.857 175.695 176.519 0.056 0.000 1.067 315 W CA -0.677 56.672 57.345 0.005 0.000 1.218 315 W CB 1.048 30.482 29.460 -0.043 0.000 1.393 315 W HN 0.385 nan 8.180 nan 0.000 0.557 316 L N 2.559 124.014 121.223 0.385 0.000 2.410 316 L HA 0.552 4.893 4.340 0.001 0.000 0.270 316 L C -0.175 176.896 176.870 0.336 0.000 0.983 316 L CA -1.143 53.885 54.840 0.314 0.000 0.822 316 L CB 1.348 43.576 42.059 0.282 0.000 1.285 316 L HN 0.401 nan 8.230 nan 0.000 0.409 317 R N 2.663 123.323 120.500 0.266 0.000 2.694 317 R HA 0.216 4.557 4.340 0.001 0.000 0.268 317 R C 1.027 177.403 176.300 0.128 0.000 1.061 317 R CA -0.169 56.035 56.100 0.173 0.000 1.133 317 R CB 0.551 30.936 30.300 0.141 0.000 1.020 317 R HN 0.655 nan 8.270 nan 0.000 0.475 318 R N 1.375 121.856 120.500 -0.031 0.000 2.117 318 R HA -0.098 4.242 4.340 0.001 0.000 0.243 318 R C 0.424 176.783 176.300 0.098 0.000 1.143 318 R CA 1.162 57.239 56.100 -0.039 0.000 0.968 318 R CB 0.139 30.361 30.300 -0.129 0.000 0.863 318 R HN 0.395 nan 8.270 nan 0.000 0.444 319 I N 2.850 123.459 120.570 0.066 0.000 2.311 319 I HA -0.005 4.166 4.170 0.001 0.000 0.297 319 I C 0.219 176.399 176.117 0.106 0.000 1.131 319 I CA 0.547 61.888 61.300 0.068 0.000 1.289 319 I CB 0.815 38.837 38.000 0.038 0.000 1.446 319 I HN 0.262 nan 8.210 nan 0.000 0.524 320 Q N 4.248 124.110 119.800 0.103 0.000 2.292 320 Q HA -0.008 4.333 4.340 0.001 0.000 0.247 320 Q C 0.520 176.602 176.000 0.138 0.000 0.911 320 Q CA 0.009 55.888 55.803 0.126 0.000 0.948 320 Q CB -0.264 28.510 28.738 0.060 0.000 1.093 320 Q HN 0.631 nan 8.270 nan 0.000 0.428 321 N N -0.783 117.999 118.700 0.137 0.000 2.238 321 N HA -0.020 4.721 4.740 0.001 0.000 0.222 321 N C -1.057 174.565 175.510 0.186 0.000 1.133 321 N CA -0.208 52.916 53.050 0.122 0.000 0.854 321 N CB 0.279 38.813 38.487 0.079 0.000 1.041 321 N HN 0.178 nan 8.380 nan 0.000 0.510 322 Y N 0.062 120.392 120.300 0.050 0.000 2.330 322 Y HA 0.536 5.086 4.550 0.001 0.000 0.324 322 Y C -1.155 174.785 175.900 0.066 0.000 1.093 322 Y CA -0.875 57.253 58.100 0.047 0.000 1.103 322 Y CB 1.550 40.030 38.460 0.033 0.000 1.183 322 Y HN 0.033 nan 8.280 nan 0.000 0.433 323 S N 4.183 119.800 115.700 -0.138 0.000 2.568 323 S HA 0.905 5.376 4.470 0.001 0.000 0.293 323 S C -1.977 172.531 174.600 -0.153 0.000 1.089 323 S CA -0.483 57.694 58.200 -0.039 0.000 0.945 323 S CB 1.464 64.663 63.200 -0.002 0.000 1.077 323 S HN 0.431 nan 8.310 nan 0.000 0.485 324 V N 4.512 124.427 119.914 0.001 0.000 2.577 324 V HA 0.486 4.607 4.120 0.001 0.000 0.303 324 V C -0.323 175.808 176.094 0.062 0.000 1.042 324 V CA -0.621 61.684 62.300 0.008 0.000 0.872 324 V CB 1.713 33.571 31.823 0.057 0.000 0.998 324 V HN 0.967 nan 8.190 nan 0.000 0.423 325 M N 3.907 123.516 119.600 0.014 0.000 2.157 325 M HA 0.471 4.952 4.480 0.001 0.000 0.354 325 M C -1.056 175.258 176.300 0.022 0.000 1.170 325 M CA -0.255 55.036 55.300 -0.016 0.000 1.060 325 M CB 0.872 33.424 32.600 -0.079 0.000 1.615 325 M HN 0.596 nan 8.290 nan 0.000 0.460 326 D N 5.393 125.802 120.400 0.014 0.000 2.175 326 D HA 0.487 5.128 4.640 0.001 0.000 0.248 326 D C -0.868 175.402 176.300 -0.050 0.000 1.047 326 D CA -0.001 54.001 54.000 0.003 0.000 0.883 326 D CB 1.561 42.386 40.800 0.042 0.000 1.180 326 D HN 0.590 nan 8.370 nan 0.000 0.438 327 I N 2.549 123.115 120.570 -0.008 0.000 2.382 327 I HA 0.274 4.444 4.170 0.001 0.000 0.286 327 I C -0.592 175.527 176.117 0.002 0.000 1.002 327 I CA -0.577 60.718 61.300 -0.009 0.000 1.135 327 I CB 1.249 39.304 38.000 0.093 0.000 1.288 327 I HN 0.157 nan 8.210 nan 0.000 0.448 328 c N 3.900 122.491 118.600 -0.016 0.000 2.379 328 c HA 0.530 5.100 4.570 0.001 0.000 0.323 328 c C -0.349 173.878 174.090 0.228 0.000 1.262 328 c CA -0.751 55.633 56.329 0.091 0.000 1.581 328 c CB 1.019 43.577 42.510 0.079 0.000 2.221 328 c HN 0.583 nan 8.230 nan 0.000 0.497 329 D N 0.496 121.017 120.400 0.201 0.000 2.256 329 D HA 0.310 4.951 4.640 0.001 0.000 0.246 329 D C -0.604 175.645 176.300 -0.085 0.000 1.042 329 D CA -0.214 53.863 54.000 0.129 0.000 0.841 329 D CB 0.836 41.660 40.800 0.040 0.000 1.223 329 D HN 0.574 nan 8.370 nan 0.000 0.470 330 Y N 1.522 121.456 120.300 -0.610 0.000 2.442 330 Y HA 0.167 4.718 4.550 0.001 0.000 0.330 330 Y C -0.089 175.520 175.900 -0.485 0.000 1.129 330 Y CA -0.028 57.391 58.100 -1.135 0.000 1.365 330 Y CB 0.633 38.256 38.460 -1.395 0.000 1.233 330 Y HN 0.178 nan 8.280 nan 0.000 0.529 331 D N 5.353 125.099 120.400 -1.091 0.000 2.443 331 D HA 0.082 4.723 4.640 0.001 0.000 0.221 331 D C 0.754 176.506 176.300 -0.913 0.000 1.097 331 D CA -0.066 53.507 54.000 -0.712 0.000 0.865 331 D CB 0.772 41.307 40.800 -0.441 0.000 1.034 331 D HN 0.838 nan 8.370 nan 0.000 0.511 332 E N 1.757 121.644 120.200 -0.522 0.000 2.204 332 E HA -0.171 4.180 4.350 0.001 0.000 0.194 332 E C 1.390 177.906 176.600 -0.139 0.000 0.989 332 E CA 1.001 57.271 56.400 -0.217 0.000 0.824 332 E CB 0.344 30.072 29.700 0.046 0.000 0.756 332 E HN 0.491 nan 8.360 nan 0.000 0.477 333 S N -0.569 115.039 115.700 -0.153 0.000 2.446 333 S HA -0.065 4.405 4.470 0.001 0.000 0.225 333 S C 1.954 176.497 174.600 -0.095 0.000 1.016 333 S CA 0.953 59.100 58.200 -0.088 0.000 0.943 333 S CB 0.238 63.397 63.200 -0.069 0.000 0.786 333 S HN 0.227 nan 8.310 nan 0.000 0.508 334 S N -0.260 115.341 115.700 -0.165 0.000 2.520 334 S HA 0.470 4.941 4.470 0.001 0.000 0.219 334 S C 1.598 176.123 174.600 -0.125 0.000 1.028 334 S CA 0.610 58.735 58.200 -0.126 0.000 0.921 334 S CB -0.318 62.806 63.200 -0.127 0.000 0.844 334 S HN 1.470 nan 8.310 nan 0.000 0.495 335 G N 2.008 110.663 108.800 -0.242 0.000 2.168 335 G HA2 -0.235 3.726 3.960 0.001 0.000 0.257 335 G HA3 -0.235 3.726 3.960 0.001 0.000 0.257 335 G C 0.099 174.933 174.900 -0.109 0.000 0.997 335 G CA 0.296 45.325 45.100 -0.119 0.000 0.708 335 G HN 0.534 nan 8.290 nan 0.000 0.520 336 R N -1.510 118.817 120.500 -0.288 0.000 2.674 336 R HA 0.602 4.943 4.340 0.001 0.000 0.266 336 R C -0.730 175.394 176.300 -0.294 0.000 1.016 336 R CA -0.808 55.218 56.100 -0.123 0.000 1.062 336 R CB 0.740 31.005 30.300 -0.058 0.000 1.142 336 R HN 0.192 nan 8.270 nan 0.000 0.517 337 W N 0.830 122.113 121.300 -0.028 0.000 2.361 337 W HA 0.374 5.034 4.660 0.001 0.000 0.314 337 W C -0.305 176.187 176.519 -0.046 0.000 1.041 337 W CA -0.417 56.912 57.345 -0.026 0.000 1.241 337 W CB 0.904 30.361 29.460 -0.005 0.000 1.279 337 W HN 0.394 nan 8.180 nan 0.000 0.436 338 N N 2.439 121.203 118.700 0.107 0.000 2.392 338 N HA 0.496 5.237 4.740 0.001 0.000 0.283 338 N C -1.388 174.158 175.510 0.060 0.000 1.003 338 N CA -0.635 52.445 53.050 0.051 0.000 0.892 338 N CB 1.093 39.572 38.487 -0.013 0.000 1.193 338 N HN 0.184 nan 8.380 nan 0.000 0.487 339 c N 3.108 121.731 118.600 0.037 0.000 2.258 339 c HA 0.358 4.929 4.570 0.001 0.000 0.321 339 c C 0.461 174.549 174.090 -0.003 0.000 1.168 339 c CA -1.126 55.215 56.329 0.020 0.000 1.531 339 c CB -1.355 41.159 42.510 0.007 0.000 2.095 339 c HN 0.623 nan 8.230 nan 0.000 0.449 340 L N 2.898 124.122 121.223 0.000 0.000 2.513 340 L HA 0.043 4.384 4.340 0.001 0.000 0.272 340 L C 1.557 178.410 176.870 -0.028 0.000 1.187 340 L CA 0.093 54.926 54.840 -0.012 0.000 0.895 340 L CB 0.662 42.718 42.059 -0.004 0.000 1.147 340 L HN 0.615 nan 8.230 nan 0.000 0.483 341 V N 3.290 123.182 119.914 -0.037 0.000 2.380 341 V HA -0.347 3.774 4.120 0.001 0.000 0.251 341 V C 2.316 178.370 176.094 -0.066 0.000 1.063 341 V CA 2.114 64.384 62.300 -0.051 0.000 1.055 341 V CB -0.855 30.941 31.823 -0.046 0.000 0.657 341 V HN 1.027 nan 8.190 nan 0.000 0.455 342 A N -0.309 122.479 122.820 -0.054 0.000 2.178 342 A HA -0.135 4.186 4.320 0.001 0.000 0.218 342 A C 2.188 179.717 177.584 -0.092 0.000 1.157 342 A CA 1.246 53.246 52.037 -0.062 0.000 0.689 342 A CB -0.403 18.577 19.000 -0.033 0.000 0.787 342 A HN 0.586 nan 8.150 nan 0.000 0.465 343 R N -0.780 119.671 120.500 -0.082 0.000 2.468 343 R HA 0.174 4.515 4.340 0.001 0.000 0.280 343 R C 0.046 176.233 176.300 -0.189 0.000 0.963 343 R CA -0.183 55.870 56.100 -0.078 0.000 1.083 343 R CB 0.262 30.592 30.300 0.050 0.000 1.200 343 R HN 0.552 nan 8.270 nan 0.000 0.541 344 Q N 0.810 120.470 119.800 -0.233 0.000 2.314 344 Q HA 0.101 4.442 4.340 0.001 0.000 0.258 344 Q C -0.694 175.048 176.000 -0.431 0.000 0.954 344 Q CA 0.289 55.967 55.803 -0.208 0.000 0.890 344 Q CB 0.807 29.477 28.738 -0.114 0.000 1.210 344 Q HN 0.228 nan 8.270 nan 0.000 0.410 345 H N 3.211 122.282 119.070 0.001 0.000 2.727 345 H HA 0.348 4.905 4.556 0.001 0.000 0.330 345 H C -0.677 174.622 175.328 -0.049 0.000 0.986 345 H CA -0.457 55.595 56.048 0.007 0.000 1.251 345 H CB 0.831 30.595 29.762 0.003 0.000 1.493 345 H HN 0.521 nan 8.280 nan 0.000 0.515 346 I N 2.287 122.871 120.570 0.023 0.000 2.365 346 I HA 0.119 4.290 4.170 0.001 0.000 0.291 346 I C 0.458 176.520 176.117 -0.092 0.000 1.004 346 I CA 0.001 61.223 61.300 -0.130 0.000 1.311 346 I CB 1.221 39.102 38.000 -0.197 0.000 1.401 346 I HN 0.475 nan 8.210 nan 0.000 0.491 347 E N 7.778 127.874 120.200 -0.173 0.000 2.216 347 E HA 0.527 4.878 4.350 0.001 0.000 0.260 347 E C -1.190 175.317 176.600 -0.156 0.000 0.880 347 E CA -0.806 55.538 56.400 -0.093 0.000 0.765 347 E CB 1.304 30.986 29.700 -0.030 0.000 1.174 347 E HN 0.559 nan 8.360 nan 0.000 0.417 348 M N 1.623 121.167 119.600 -0.094 0.000 2.727 348 M HA 0.637 5.118 4.480 0.001 0.000 0.300 348 M C -0.898 175.407 176.300 0.008 0.000 1.246 348 M CA -0.785 54.493 55.300 -0.036 0.000 0.835 348 M CB 2.160 34.772 32.600 0.020 0.000 1.755 348 M HN 0.121 nan 8.290 nan 0.000 0.473 349 S N -1.126 114.588 115.700 0.022 0.000 2.571 349 S HA 0.600 5.070 4.470 0.001 0.000 0.284 349 S C 0.214 174.813 174.600 -0.002 0.000 1.128 349 S CA -0.080 58.117 58.200 -0.005 0.000 0.970 349 S CB 1.362 64.528 63.200 -0.056 0.000 1.039 349 S HN 0.959 nan 8.310 nan 0.000 0.485 350 T N 0.222 114.774 114.554 -0.002 0.000 3.057 350 T HA 0.050 4.401 4.350 0.001 0.000 0.254 350 T C 1.538 176.225 174.700 -0.022 0.000 1.094 350 T CA 0.973 63.072 62.100 -0.002 0.000 1.088 350 T CB -0.345 68.528 68.868 0.007 0.000 0.934 350 T HN 0.685 nan 8.240 nan 0.000 0.497 351 T N -2.026 112.505 114.554 -0.037 0.000 3.000 351 T HA 0.591 4.942 4.350 0.001 0.000 0.248 351 T C 1.152 175.696 174.700 -0.259 0.000 1.034 351 T CA 0.377 62.455 62.100 -0.038 0.000 1.060 351 T CB 0.381 69.304 68.868 0.091 0.000 0.983 351 T HN 0.559 nan 8.240 nan 0.000 0.482 352 G N 0.333 108.789 108.800 -0.574 0.000 2.827 352 G HA2 0.505 4.466 3.960 0.001 0.000 0.202 352 G HA3 0.505 4.466 3.960 0.001 0.000 0.202 352 G C -1.589 173.046 174.900 -0.443 0.000 1.185 352 G CA -0.629 43.903 45.100 -0.946 0.000 0.920 352 G HN 0.500 nan 8.290 nan 0.000 0.550 353 W N -0.189 120.850 121.300 -0.435 0.000 2.260 353 W HA 0.748 5.408 4.660 0.001 0.000 0.366 353 W C -0.451 176.021 176.519 -0.079 0.000 1.315 353 W CA -1.279 55.944 57.345 -0.204 0.000 1.458 353 W CB 0.676 29.991 29.460 -0.241 0.000 1.255 353 W HN 0.254 nan 8.180 nan 0.000 0.671 354 V N 2.948 122.932 119.914 0.117 0.000 2.407 354 V HA 0.709 4.830 4.120 0.001 0.000 0.278 354 V C 0.760 176.925 176.094 0.118 0.000 1.037 354 V CA 0.360 62.691 62.300 0.051 0.000 0.900 354 V CB 0.029 31.884 31.823 0.054 0.000 0.983 354 V HN 1.289 nan 8.190 nan 0.000 0.459 355 G N 5.063 113.894 108.800 0.051 0.000 2.795 355 G HA2 -0.181 3.779 3.960 0.001 0.000 0.664 355 G HA3 -0.181 3.779 3.960 0.001 0.000 0.664 355 G C 0.280 175.268 174.900 0.148 0.000 1.381 355 G CA 0.185 45.345 45.100 0.099 0.000 0.853 355 G HN 0.644 nan 8.290 nan 0.000 0.545 356 R N -0.700 119.898 120.500 0.163 0.000 2.061 356 R HA 0.131 4.472 4.340 0.001 0.000 0.230 356 R C 2.087 178.425 176.300 0.062 0.000 1.140 356 R CA 2.188 58.372 56.100 0.139 0.000 0.940 356 R CB -0.131 30.282 30.300 0.189 0.000 0.839 356 R HN 0.468 nan 8.270 nan 0.000 0.429 357 F N -0.583 119.514 119.950 0.245 0.000 2.746 357 F HA 0.267 4.795 4.527 0.001 0.000 0.313 357 F C 0.363 176.198 175.800 0.057 0.000 1.095 357 F CA -0.446 57.645 58.000 0.152 0.000 1.224 357 F CB 0.732 39.815 39.000 0.139 0.000 1.060 357 F HN -0.063 nan 8.300 nan 0.000 0.584 358 R N -1.419 119.215 120.500 0.223 0.000 2.765 358 R HA 0.378 4.718 4.340 0.001 0.000 0.277 358 R C -3.364 172.995 176.300 0.098 0.000 1.028 358 R CA -1.946 54.213 56.100 0.100 0.000 0.860 358 R CB 0.005 30.308 30.300 0.004 0.000 1.270 358 R HN -0.373 nan 8.270 nan 0.000 0.484 359 P HA -0.042 nan 4.420 nan 0.000 0.264 359 P C -0.244 177.079 177.300 0.039 0.000 1.183 359 P CA 0.205 63.327 63.100 0.036 0.000 0.763 359 P CB 0.631 32.329 31.700 -0.003 0.000 0.807 360 S N 1.200 116.935 115.700 0.059 0.000 2.600 360 S HA 0.158 4.628 4.470 0.001 0.000 0.265 360 S C 0.102 174.729 174.600 0.046 0.000 1.325 360 S CA -0.695 57.557 58.200 0.087 0.000 1.002 360 S CB 0.444 63.717 63.200 0.121 0.000 0.921 360 S HN 0.497 nan 8.310 nan 0.000 0.554 361 E N 1.706 121.955 120.200 0.081 0.000 2.313 361 E HA 0.364 4.715 4.350 0.001 0.000 0.276 361 E C -2.335 174.276 176.600 0.018 0.000 1.031 361 E CA -2.286 54.123 56.400 0.014 0.000 0.857 361 E CB 0.593 30.307 29.700 0.023 0.000 1.040 361 E HN 0.463 nan 8.360 nan 0.000 0.408 362 P HA 0.123 nan 4.420 nan 0.000 0.281 362 P C -1.168 176.041 177.300 -0.152 0.000 1.249 362 P CA -0.138 62.847 63.100 -0.191 0.000 0.810 362 P CB 0.745 31.976 31.700 -0.781 0.000 1.008 363 H N 1.905 120.992 119.070 0.028 0.000 2.786 363 H HA 0.276 4.833 4.556 0.001 0.000 0.284 363 H C -0.208 175.241 175.328 0.201 0.000 1.104 363 H CA -0.387 55.762 56.048 0.168 0.000 1.339 363 H CB 0.107 29.994 29.762 0.208 0.000 1.427 363 H HN 0.309 nan 8.280 nan 0.000 0.497 364 F N 1.974 122.098 119.950 0.291 0.000 2.459 364 F HA 0.004 4.532 4.527 0.001 0.000 0.346 364 F C 1.768 177.759 175.800 0.318 0.000 1.128 364 F CA -0.234 57.947 58.000 0.303 0.000 1.268 364 F CB 0.847 39.955 39.000 0.181 0.000 1.161 364 F HN 0.382 nan 8.300 nan 0.000 0.583 365 T N 0.340 115.195 114.554 0.502 0.000 2.726 365 T HA 0.098 4.448 4.350 0.001 0.000 0.294 365 T C 1.216 176.108 174.700 0.322 0.000 1.013 365 T CA -0.823 61.510 62.100 0.388 0.000 0.996 365 T CB 0.606 69.689 68.868 0.358 0.000 1.016 365 T HN 0.385 nan 8.240 nan 0.000 0.529 366 L N 1.652 123.020 121.223 0.242 0.000 2.013 366 L HA -0.057 4.283 4.340 0.001 0.000 0.212 366 L C 2.374 179.354 176.870 0.184 0.000 1.073 366 L CA 2.224 57.180 54.840 0.193 0.000 0.753 366 L CB -1.469 40.681 42.059 0.150 0.000 0.890 366 L HN 0.955 nan 8.230 nan 0.000 0.432 367 D N -1.703 118.808 120.400 0.185 0.000 2.363 367 D HA 0.061 4.701 4.640 0.001 0.000 0.220 367 D C 1.577 177.992 176.300 0.191 0.000 0.994 367 D CA 0.791 54.891 54.000 0.167 0.000 0.890 367 D CB -0.447 40.440 40.800 0.145 0.000 0.906 367 D HN 0.312 nan 8.370 nan 0.000 0.530 368 G N 0.496 109.453 108.800 0.262 0.000 2.179 368 G HA2 -0.361 3.600 3.960 0.001 0.000 0.257 368 G HA3 -0.361 3.600 3.960 0.001 0.000 0.257 368 G C 0.894 176.017 174.900 0.370 0.000 1.010 368 G CA 0.448 45.742 45.100 0.323 0.000 0.736 368 G HN 0.354 nan 8.290 nan 0.000 0.513 369 N N -0.097 118.787 118.700 0.307 0.000 2.373 369 N HA 0.162 4.903 4.740 0.001 0.000 0.181 369 N C 1.071 176.721 175.510 0.232 0.000 1.082 369 N CA 1.143 54.338 53.050 0.242 0.000 0.885 369 N CB 0.425 39.010 38.487 0.162 0.000 0.977 369 N HN 0.910 nan 8.380 nan 0.000 0.462 370 S N -0.514 115.351 115.700 0.274 0.000 2.607 370 S HA 0.764 5.234 4.470 0.001 0.000 0.273 370 S C -0.943 173.759 174.600 0.169 0.000 1.148 370 S CA -0.971 57.278 58.200 0.080 0.000 0.833 370 S CB 1.780 64.940 63.200 -0.066 0.000 1.130 370 S HN 0.120 nan 8.310 nan 0.000 0.470 371 F N -1.825 117.972 119.950 -0.256 0.000 2.686 371 F HA 0.823 5.351 4.527 0.001 0.000 0.311 371 F C -2.199 173.430 175.800 -0.285 0.000 1.128 371 F CA -1.527 56.263 58.000 -0.349 0.000 0.946 371 F CB 0.659 39.060 39.000 -0.998 0.000 1.336 371 F HN 0.595 nan 8.300 nan 0.000 0.457 372 Y N 1.118 121.573 120.300 0.259 0.000 2.377 372 Y HA 0.680 5.231 4.550 0.001 0.000 0.339 372 Y C -0.259 175.801 175.900 0.266 0.000 1.011 372 Y CA -0.880 57.347 58.100 0.213 0.000 1.093 372 Y CB 2.152 40.681 38.460 0.116 0.000 1.201 372 Y HN 0.681 nan 8.280 nan 0.000 0.455 373 K N 3.306 123.922 120.400 0.361 0.000 2.550 373 K HA 0.487 4.807 4.320 0.001 0.000 0.252 373 K C -1.615 175.120 176.600 0.224 0.000 0.943 373 K CA -0.572 55.890 56.287 0.291 0.000 0.806 373 K CB 1.504 34.150 32.500 0.242 0.000 1.289 373 K HN 0.706 nan 8.250 nan 0.000 0.435 374 I N 6.409 127.085 120.570 0.177 0.000 2.533 374 I HA 0.191 4.362 4.170 0.001 0.000 0.284 374 I C 0.321 176.529 176.117 0.152 0.000 1.109 374 I CA -0.036 61.350 61.300 0.144 0.000 1.412 374 I CB 0.178 38.244 38.000 0.110 0.000 1.396 374 I HN 0.464 nan 8.210 nan 0.000 0.543 375 I N 1.804 122.489 120.570 0.191 0.000 3.095 375 I HA 0.485 4.655 4.170 0.001 0.000 0.310 375 I C -0.295 175.943 176.117 0.202 0.000 1.196 375 I CA -0.836 60.575 61.300 0.184 0.000 0.985 375 I CB 2.139 40.258 38.000 0.199 0.000 1.250 375 I HN 0.332 nan 8.210 nan 0.000 0.446 376 S N 2.896 118.654 115.700 0.098 0.000 2.488 376 S HA 0.208 4.679 4.470 0.001 0.000 0.278 376 S C 0.044 174.689 174.600 0.075 0.000 1.259 376 S CA -0.494 57.710 58.200 0.007 0.000 1.061 376 S CB -0.376 62.768 63.200 -0.093 0.000 0.910 376 S HN 0.822 nan 8.310 nan 0.000 0.491 377 N N 4.202 122.846 118.700 -0.093 0.000 2.322 377 N HA 0.149 4.889 4.740 0.001 0.000 0.270 377 N C 0.757 176.168 175.510 -0.166 0.000 1.286 377 N CA -0.272 52.579 53.050 -0.331 0.000 0.948 377 N CB 0.027 37.897 38.487 -1.027 0.000 1.164 377 N HN 0.526 nan 8.380 nan 0.000 0.551 378 E N -0.528 119.567 120.200 -0.176 0.000 2.268 378 E HA -0.115 4.236 4.350 0.001 0.000 0.195 378 E C 0.694 177.240 176.600 -0.089 0.000 0.995 378 E CA 0.852 57.196 56.400 -0.093 0.000 0.836 378 E CB -0.080 29.577 29.700 -0.072 0.000 0.763 378 E HN 0.636 nan 8.360 nan 0.000 0.491 379 E N -0.271 119.872 120.200 -0.094 0.000 2.481 379 E HA 0.057 4.407 4.350 0.001 0.000 0.195 379 E C 1.287 177.847 176.600 -0.067 0.000 1.047 379 E CA 0.649 57.040 56.400 -0.014 0.000 0.867 379 E CB 0.164 29.923 29.700 0.099 0.000 0.858 379 E HN 0.306 nan 8.360 nan 0.000 0.513 380 G N 1.004 109.718 108.800 -0.144 0.000 2.136 380 G HA2 -0.287 3.674 3.960 0.001 0.000 0.242 380 G HA3 -0.287 3.674 3.960 0.001 0.000 0.242 380 G C -0.378 174.263 174.900 -0.431 0.000 0.989 380 G CA 0.019 44.946 45.100 -0.289 0.000 0.682 380 G HN 0.236 nan 8.290 nan 0.000 0.522 381 Y N 0.144 120.308 120.300 -0.225 0.000 2.323 381 Y HA 0.613 5.163 4.550 0.001 0.000 0.331 381 Y C 1.239 176.956 175.900 -0.305 0.000 1.092 381 Y CA -0.833 57.111 58.100 -0.260 0.000 1.150 381 Y CB 0.984 39.303 38.460 -0.235 0.000 1.200 381 Y HN 0.083 nan 8.280 nan 0.000 0.472 382 R N 3.809 124.158 120.500 -0.252 0.000 2.248 382 R HA 0.258 4.599 4.340 0.001 0.000 0.328 382 R C -0.779 175.221 176.300 -0.501 0.000 1.067 382 R CA -0.058 55.903 56.100 -0.233 0.000 0.924 382 R CB 0.094 30.321 30.300 -0.123 0.000 1.013 382 R HN 0.664 nan 8.270 nan 0.000 0.454 383 H N 1.739 120.788 119.070 -0.035 0.000 2.949 383 H HA 0.344 4.900 4.556 0.001 0.000 0.356 383 H C -0.231 175.168 175.328 0.117 0.000 1.212 383 H CA -0.943 55.066 56.048 -0.065 0.000 1.136 383 H CB 1.613 31.233 29.762 -0.236 0.000 1.869 383 H HN 0.317 nan 8.280 nan 0.000 0.556 384 I N 1.246 121.912 120.570 0.159 0.000 2.352 384 I HA 0.073 4.244 4.170 0.001 0.000 0.290 384 I C 0.334 176.484 176.117 0.056 0.000 1.036 384 I CA 0.047 61.393 61.300 0.077 0.000 1.336 384 I CB 0.430 38.388 38.000 -0.070 0.000 1.407 384 I HN 0.152 nan 8.210 nan 0.000 0.497 385 c N 6.956 125.516 118.600 -0.066 0.000 2.376 385 c HA 0.442 5.013 4.570 0.001 0.000 0.335 385 c C -0.485 173.457 174.090 -0.246 0.000 1.229 385 c CA -0.443 55.616 56.329 -0.450 0.000 1.867 385 c CB 0.945 42.913 42.510 -0.905 0.000 2.319 385 c HN 0.633 nan 8.230 nan 0.000 0.515 386 Y N 4.336 124.285 120.300 -0.585 0.000 2.342 386 Y HA 0.651 5.202 4.550 0.001 0.000 0.338 386 Y C -1.068 174.358 175.900 -0.791 0.000 0.965 386 Y CA -1.168 56.540 58.100 -0.654 0.000 1.159 386 Y CB 0.264 38.431 38.460 -0.488 0.000 1.157 386 Y HN 0.624 nan 8.280 nan 0.000 0.486 387 F N 4.461 123.666 119.950 -1.240 0.000 2.480 387 F HA 0.445 4.973 4.527 0.001 0.000 0.329 387 F C -0.055 175.004 175.800 -1.236 0.000 1.091 387 F CA -0.966 56.247 58.000 -1.312 0.000 0.972 387 F CB 1.447 39.258 39.000 -1.982 0.000 1.150 387 F HN 0.299 nan 8.300 nan 0.000 0.467 388 Q N 3.358 122.798 119.800 -0.600 0.000 2.259 388 Q HA 0.270 4.611 4.340 0.001 0.000 0.249 388 Q C 1.310 177.294 176.000 -0.027 0.000 0.914 388 Q CA -0.308 55.311 55.803 -0.307 0.000 0.904 388 Q CB 1.608 30.222 28.738 -0.206 0.000 1.213 388 Q HN 0.879 nan 8.270 nan 0.000 0.428 389 I N -1.153 119.503 120.570 0.144 0.000 2.361 389 I HA -0.201 3.970 4.170 0.001 0.000 0.251 389 I C 0.375 176.716 176.117 0.373 0.000 1.133 389 I CA 1.565 63.103 61.300 0.396 0.000 1.413 389 I CB -0.149 38.078 38.000 0.379 0.000 1.073 389 I HN 0.375 nan 8.210 nan 0.000 0.424 390 D N 0.510 121.016 120.400 0.177 0.000 2.755 390 D HA 0.282 4.923 4.640 0.001 0.000 0.257 390 D C -0.200 176.130 176.300 0.049 0.000 1.291 390 D CA -0.378 53.671 54.000 0.083 0.000 0.836 390 D CB 0.041 40.870 40.800 0.047 0.000 1.059 390 D HN 0.316 nan 8.370 nan 0.000 0.486 391 K N 0.389 120.849 120.400 0.101 0.000 2.378 391 K HA 0.250 4.571 4.320 0.001 0.000 0.252 391 K C 0.453 177.123 176.600 0.117 0.000 0.931 391 K CA -0.721 55.591 56.287 0.042 0.000 0.794 391 K CB 3.028 35.505 32.500 -0.038 0.000 1.181 391 K HN -0.135 nan 8.250 nan 0.000 0.425 392 K N 1.089 121.511 120.400 0.037 0.000 2.062 392 K HA -0.045 4.276 4.320 0.001 0.000 0.205 392 K C -0.233 176.378 176.600 0.018 0.000 1.051 392 K CA 1.241 57.562 56.287 0.057 0.000 0.941 392 K CB 0.298 32.799 32.500 0.002 0.000 0.719 392 K HN 0.500 nan 8.250 nan 0.000 0.440 393 D N 1.439 121.790 120.400 -0.082 0.000 2.277 393 D HA 0.061 4.702 4.640 0.001 0.000 0.249 393 D C -0.050 176.026 176.300 -0.374 0.000 1.134 393 D CA -0.216 53.673 54.000 -0.186 0.000 0.863 393 D CB 1.080 41.796 40.800 -0.141 0.000 1.143 393 D HN 0.303 nan 8.370 nan 0.000 0.458 394 c N 0.957 119.169 118.600 -0.646 0.000 2.335 394 c HA 0.758 5.329 4.570 0.001 0.000 0.363 394 c C 0.375 174.057 174.090 -0.680 0.000 1.198 394 c CA -0.597 55.124 56.329 -1.013 0.000 2.279 394 c CB 0.855 42.108 42.510 -2.095 0.000 2.334 394 c HN 0.470 nan 8.230 nan 0.000 0.559 395 T N 2.307 116.521 114.554 -0.567 0.000 2.770 395 T HA 0.457 4.808 4.350 0.001 0.000 0.283 395 T C -0.616 173.885 174.700 -0.332 0.000 0.988 395 T CA 0.136 62.060 62.100 -0.295 0.000 0.957 395 T CB 0.295 69.132 68.868 -0.052 0.000 0.930 395 T HN 0.496 nan 8.240 nan 0.000 0.443 396 F N 3.315 123.149 119.950 -0.194 0.000 2.504 396 F HA 0.239 4.766 4.527 0.001 0.000 0.369 396 F C 1.635 177.263 175.800 -0.287 0.000 1.082 396 F CA -0.729 57.140 58.000 -0.218 0.000 1.216 396 F CB 0.386 39.261 39.000 -0.208 0.000 1.108 396 F HN 0.587 nan 8.300 nan 0.000 0.554 397 I N -0.705 119.732 120.570 -0.222 0.000 3.854 397 I HA 0.191 4.362 4.170 0.001 0.000 0.312 397 I C 0.444 176.352 176.117 -0.349 0.000 1.273 397 I CA 0.168 61.087 61.300 -0.635 0.000 1.298 397 I CB 0.139 37.507 38.000 -1.053 0.000 1.071 397 I HN 0.493 nan 8.210 nan 0.000 0.428 398 T N 0.512 114.937 114.554 -0.215 0.000 2.924 398 T HA 0.725 5.075 4.350 0.001 0.000 0.291 398 T C -0.630 173.708 174.700 -0.604 0.000 1.045 398 T CA -0.687 61.277 62.100 -0.227 0.000 1.015 398 T CB 2.474 71.282 68.868 -0.101 0.000 1.103 398 T HN 0.505 nan 8.240 nan 0.000 0.496 399 K N -0.291 119.589 120.400 -0.867 0.000 2.597 399 K HA 0.754 5.074 4.320 0.001 0.000 0.282 399 K C -0.423 175.548 176.600 -1.047 0.000 0.975 399 K CA -0.926 54.603 56.287 -1.264 0.000 0.867 399 K CB 1.313 33.438 32.500 -0.625 0.000 1.465 399 K HN 1.540 nan 8.250 nan 0.000 0.417 400 G N 0.032 108.231 108.800 -1.003 0.000 2.353 400 G HA2 0.076 4.037 3.960 0.001 0.000 0.424 400 G HA3 0.076 4.037 3.960 0.001 0.000 0.424 400 G C -0.831 173.491 174.900 -0.962 0.000 1.320 400 G CA -0.394 44.281 45.100 -0.709 0.000 0.995 400 G HN 1.082 nan 8.290 nan 0.000 0.580 401 T N -0.503 113.618 114.554 -0.722 0.000 3.855 401 T HA 0.591 4.942 4.350 0.001 0.000 0.306 401 T C 0.152 174.630 174.700 -0.370 0.000 1.575 401 T CA 0.552 62.015 62.100 -1.062 0.000 1.214 401 T CB -0.899 67.609 68.868 -0.600 0.000 1.262 401 T HN 1.625 nan 8.240 nan 0.000 0.883 402 W N -0.211 120.926 121.300 -0.272 0.000 2.926 402 W HA 0.605 5.266 4.660 0.001 0.000 0.361 402 W C -1.643 174.876 176.519 -0.001 0.000 1.195 402 W CA -0.952 56.385 57.345 -0.014 0.000 1.177 402 W CB 0.576 30.017 29.460 -0.031 0.000 1.453 402 W HN 0.226 nan 8.180 nan 0.000 0.571 403 E N 0.873 121.265 120.200 0.319 0.000 2.317 403 E HA 0.433 4.784 4.350 0.001 0.000 0.270 403 E C -1.079 175.654 176.600 0.221 0.000 0.885 403 E CA -1.160 55.236 56.400 -0.007 0.000 0.760 403 E CB 3.428 33.158 29.700 0.050 0.000 1.227 403 E HN 0.172 nan 8.360 nan 0.000 0.434 404 V N 4.154 124.069 119.914 0.001 0.000 2.508 404 V HA -0.014 4.107 4.120 0.001 0.000 0.281 404 V C 1.256 177.438 176.094 0.147 0.000 1.041 404 V CA 0.092 62.482 62.300 0.150 0.000 1.016 404 V CB 0.423 32.235 31.823 -0.018 0.000 0.984 404 V HN 0.693 nan 8.190 nan 0.000 0.478 405 I N 3.284 123.966 120.570 0.186 0.000 2.339 405 I HA 0.235 4.406 4.170 0.001 0.000 0.245 405 I C 1.136 177.356 176.117 0.172 0.000 1.096 405 I CA 1.223 62.617 61.300 0.157 0.000 1.408 405 I CB -0.821 37.208 38.000 0.048 0.000 1.092 405 I HN 0.737 nan 8.210 nan 0.000 0.423 406 G N 0.722 109.626 108.800 0.173 0.000 2.732 406 G HA2 0.561 4.522 3.960 0.001 0.000 0.296 406 G HA3 0.561 4.522 3.960 0.001 0.000 0.296 406 G C -1.142 173.840 174.900 0.137 0.000 1.448 406 G CA -0.538 44.659 45.100 0.162 0.000 0.911 406 G HN -0.025 nan 8.290 nan 0.000 0.528 407 I N 1.704 122.287 120.570 0.022 0.000 2.416 407 I HA 0.215 4.385 4.170 0.001 0.000 0.288 407 I C 0.726 176.775 176.117 -0.113 0.000 1.051 407 I CA -0.395 60.807 61.300 -0.163 0.000 1.375 407 I CB 1.525 39.142 38.000 -0.638 0.000 1.407 407 I HN 0.497 nan 8.210 nan 0.000 0.516 408 E N 4.807 125.000 120.200 -0.012 0.000 2.290 408 E HA 0.347 4.698 4.350 0.001 0.000 0.199 408 E C 0.140 176.686 176.600 -0.089 0.000 0.912 408 E CA 0.276 56.718 56.400 0.071 0.000 0.924 408 E CB 0.726 30.550 29.700 0.207 0.000 0.901 408 E HN 0.678 nan 8.360 nan 0.000 0.487 409 A N 0.585 123.237 122.820 -0.280 0.000 2.606 409 A HA 0.650 4.971 4.320 0.001 0.000 0.293 409 A C -1.942 175.565 177.584 -0.129 0.000 1.082 409 A CA -0.590 51.207 52.037 -0.399 0.000 0.685 409 A CB 1.444 19.632 19.000 -1.353 0.000 1.284 409 A HN 0.040 nan 8.150 nan 0.000 0.408 410 L N 1.268 122.464 121.223 -0.044 0.000 2.476 410 L HA 0.761 5.102 4.340 0.001 0.000 0.269 410 L C 0.099 177.006 176.870 0.061 0.000 0.965 410 L CA 0.475 55.321 54.840 0.010 0.000 0.845 410 L CB 1.995 44.084 42.059 0.049 0.000 1.259 410 L HN 1.203 nan 8.230 nan 0.000 0.403 411 T N -0.285 114.318 114.554 0.080 0.000 2.905 411 T HA 0.430 4.781 4.350 0.001 0.000 0.283 411 T C 1.061 175.797 174.700 0.060 0.000 1.031 411 T CA 0.083 62.242 62.100 0.098 0.000 1.002 411 T CB 1.236 70.198 68.868 0.157 0.000 1.200 411 T HN 0.664 nan 8.240 nan 0.000 0.560 412 S N -0.514 115.223 115.700 0.061 0.000 2.447 412 S HA -0.076 4.395 4.470 0.001 0.000 0.233 412 S C 0.908 175.483 174.600 -0.042 0.000 1.006 412 S CA 1.008 59.228 58.200 0.033 0.000 0.957 412 S CB -0.492 62.734 63.200 0.044 0.000 0.773 412 S HN 0.714 nan 8.310 nan 0.000 0.507 413 D N -0.762 119.592 120.400 -0.076 0.000 2.422 413 D HA 0.260 4.901 4.640 0.001 0.000 0.218 413 D C -0.526 175.419 176.300 -0.591 0.000 1.047 413 D CA 0.547 54.371 54.000 -0.293 0.000 0.885 413 D CB 0.369 41.020 40.800 -0.249 0.000 1.035 413 D HN 0.437 nan 8.370 nan 0.000 0.502 414 Y N -0.090 120.126 120.300 -0.140 0.000 2.524 414 Y HA 0.459 5.010 4.550 0.001 0.000 0.347 414 Y C -0.621 175.065 175.900 -0.357 0.000 1.005 414 Y CA -1.003 56.913 58.100 -0.305 0.000 1.025 414 Y CB 2.559 40.702 38.460 -0.528 0.000 1.275 414 Y HN -0.280 nan 8.280 nan 0.000 0.460 415 L N 2.811 123.887 121.223 -0.246 0.000 2.341 415 L HA 0.612 4.953 4.340 0.001 0.000 0.278 415 L C -1.833 174.885 176.870 -0.254 0.000 1.005 415 L CA -0.631 54.048 54.840 -0.268 0.000 0.818 415 L CB 0.984 42.797 42.059 -0.410 0.000 1.259 415 L HN 0.619 nan 8.230 nan 0.000 0.418 416 Y N 4.826 125.047 120.300 -0.133 0.000 2.331 416 Y HA 0.518 5.069 4.550 0.001 0.000 0.338 416 Y C -0.529 175.363 175.900 -0.013 0.000 0.992 416 Y CA -0.295 57.718 58.100 -0.144 0.000 1.121 416 Y CB 1.300 39.534 38.460 -0.376 0.000 1.184 416 Y HN 0.531 nan 8.280 nan 0.000 0.469 417 Y N 1.080 121.429 120.300 0.082 0.000 2.588 417 Y HA 0.760 5.310 4.550 0.001 0.000 0.343 417 Y C -1.680 174.297 175.900 0.128 0.000 1.065 417 Y CA -1.811 56.330 58.100 0.069 0.000 1.038 417 Y CB 1.089 39.565 38.460 0.025 0.000 1.297 417 Y HN 0.272 nan 8.280 nan 0.000 0.467 418 I N 3.373 124.081 120.570 0.230 0.000 2.385 418 I HA 0.542 4.713 4.170 0.001 0.000 0.294 418 I C 0.005 176.284 176.117 0.270 0.000 0.988 418 I CA -0.197 61.196 61.300 0.154 0.000 1.265 418 I CB 1.367 39.418 38.000 0.085 0.000 1.388 418 I HN 0.873 nan 8.210 nan 0.000 0.480 419 S N 4.061 119.886 115.700 0.208 0.000 2.651 419 S HA 0.440 4.911 4.470 0.001 0.000 0.279 419 S C -0.205 174.438 174.600 0.072 0.000 1.148 419 S CA -0.813 57.499 58.200 0.187 0.000 0.837 419 S CB 1.927 65.224 63.200 0.162 0.000 1.138 419 S HN 0.599 nan 8.310 nan 0.000 0.478 420 N N -0.134 118.611 118.700 0.076 0.000 2.320 420 N HA 0.130 4.870 4.740 0.001 0.000 0.237 420 N C 0.625 176.120 175.510 -0.025 0.000 1.129 420 N CA -0.241 52.819 53.050 0.017 0.000 0.854 420 N CB 0.149 38.640 38.487 0.007 0.000 1.083 420 N HN 0.810 nan 8.380 nan 0.000 0.504 421 E N -0.192 119.851 120.200 -0.262 0.000 2.077 421 E HA -0.214 4.137 4.350 0.001 0.000 0.193 421 E C -0.373 176.091 176.600 -0.226 0.000 0.989 421 E CA 0.450 56.461 56.400 -0.648 0.000 0.800 421 E CB -0.065 28.663 29.700 -1.620 0.000 0.746 421 E HN 0.433 nan 8.360 nan 0.000 0.452 422 Y N 1.764 121.978 120.300 -0.144 0.000 2.717 422 Y HA -0.109 4.442 4.550 0.001 0.000 0.330 422 Y C 0.491 176.357 175.900 -0.056 0.000 1.217 422 Y CA 0.753 58.815 58.100 -0.063 0.000 1.506 422 Y CB 0.187 38.635 38.460 -0.020 0.000 1.268 422 Y HN 0.050 nan 8.280 nan 0.000 0.561 423 K N 3.448 123.543 120.400 -0.508 0.000 3.104 423 K HA -0.257 4.063 4.320 0.001 0.000 0.285 423 K C 0.851 177.375 176.600 -0.127 0.000 1.136 423 K CA 0.844 56.904 56.287 -0.379 0.000 0.842 423 K CB -1.754 30.470 32.500 -0.460 0.000 1.217 423 K HN 1.269 nan 8.250 nan 0.000 0.467 424 G N 0.684 109.431 108.800 -0.089 0.000 2.258 424 G HA2 -0.332 3.628 3.960 0.001 0.000 0.274 424 G HA3 -0.332 3.628 3.960 0.001 0.000 0.274 424 G C 0.021 174.905 174.900 -0.026 0.000 1.021 424 G CA 0.857 45.954 45.100 -0.006 0.000 0.798 424 G HN 0.343 nan 8.290 nan 0.000 0.507 425 M N 0.123 119.637 119.600 -0.143 0.000 2.069 425 M HA 0.246 4.727 4.480 0.001 0.000 0.349 425 M C -1.256 174.812 176.300 -0.387 0.000 1.194 425 M CA -2.016 53.039 55.300 -0.408 0.000 1.081 425 M CB 1.585 34.004 32.600 -0.301 0.000 1.500 425 M HN -0.131 nan 8.290 nan 0.000 0.438 426 P HA -0.060 nan 4.420 nan 0.000 0.222 426 P C 1.128 178.308 177.300 -0.200 0.000 1.147 426 P CA 0.959 63.901 63.100 -0.263 0.000 0.790 426 P CB 0.191 31.736 31.700 -0.257 0.000 0.780 427 G N -1.096 107.522 108.800 -0.303 0.000 3.284 427 G HA2 0.315 4.275 3.960 0.001 0.000 0.236 427 G HA3 0.315 4.275 3.960 0.001 0.000 0.236 427 G C 0.594 175.523 174.900 0.047 0.000 1.158 427 G CA 0.036 45.087 45.100 -0.081 0.000 0.774 427 G HN 0.378 nan 8.290 nan 0.000 0.545 428 G N -0.096 108.670 108.800 -0.056 0.000 2.471 428 G HA2 0.652 4.613 3.960 0.001 0.000 0.332 428 G HA3 0.652 4.613 3.960 0.001 0.000 0.332 428 G C -0.821 173.967 174.900 -0.186 0.000 1.176 428 G CA -0.754 44.336 45.100 -0.016 0.000 0.949 428 G HN 0.089 nan 8.290 nan 0.000 0.488 429 R N 1.023 121.360 120.500 -0.271 0.000 2.564 429 R HA 0.432 4.773 4.340 0.001 0.000 0.284 429 R C -1.310 174.950 176.300 -0.066 0.000 1.031 429 R CA -0.816 55.100 56.100 -0.308 0.000 0.904 429 R CB 2.142 32.013 30.300 -0.715 0.000 1.199 429 R HN 0.604 nan 8.270 nan 0.000 0.443 430 N N 1.604 120.288 118.700 -0.027 0.000 2.329 430 N HA 0.305 5.046 4.740 0.001 0.000 0.282 430 N C -1.261 174.124 175.510 -0.208 0.000 1.198 430 N CA -0.834 52.126 53.050 -0.151 0.000 0.790 430 N CB 2.759 41.061 38.487 -0.310 0.000 1.579 430 N HN 0.255 nan 8.380 nan 0.000 0.475 431 L N 2.205 123.168 121.223 -0.433 0.000 2.305 431 L HA 0.428 4.768 4.340 0.001 0.000 0.281 431 L C -1.353 175.129 176.870 -0.648 0.000 1.085 431 L CA 0.165 54.765 54.840 -0.399 0.000 0.813 431 L CB -0.195 41.628 42.059 -0.393 0.000 1.157 431 L HN 0.406 nan 8.230 nan 0.000 0.436 432 Y N 3.471 123.413 120.300 -0.597 0.000 2.570 432 Y HA 0.599 5.149 4.550 0.001 0.000 0.345 432 Y C -0.415 175.127 175.900 -0.596 0.000 1.014 432 Y CA -0.898 56.792 58.100 -0.684 0.000 1.063 432 Y CB 1.678 39.487 38.460 -1.086 0.000 1.272 432 Y HN 0.545 nan 8.280 nan 0.000 0.477 433 K N 2.145 122.377 120.400 -0.281 0.000 2.318 433 K HA 0.787 5.108 4.320 0.001 0.000 0.249 433 K C -1.728 174.853 176.600 -0.031 0.000 0.942 433 K CA -0.772 55.307 56.287 -0.345 0.000 0.808 433 K CB 2.931 34.967 32.500 -0.772 0.000 1.189 433 K HN 0.745 nan 8.250 nan 0.000 0.428 434 I N 1.838 122.460 120.570 0.087 0.000 2.465 434 I HA 0.144 4.314 4.170 0.001 0.000 0.291 434 I C -0.812 175.389 176.117 0.141 0.000 1.014 434 I CA -0.839 60.567 61.300 0.178 0.000 1.093 434 I CB 2.073 40.191 38.000 0.198 0.000 1.267 434 I HN 0.834 nan 8.210 nan 0.000 0.431 435 Q N 6.288 126.150 119.800 0.104 0.000 2.281 435 Q HA 0.175 4.516 4.340 0.001 0.000 0.267 435 Q C 0.298 176.232 176.000 -0.110 0.000 1.053 435 Q CA -0.136 55.545 55.803 -0.204 0.000 0.905 435 Q CB 1.088 29.741 28.738 -0.141 0.000 1.195 435 Q HN 0.808 nan 8.270 nan 0.000 0.398 436 L N 2.497 123.595 121.223 -0.210 0.000 2.275 436 L HA -0.133 4.208 4.340 0.001 0.000 0.215 436 L C 2.109 178.877 176.870 -0.169 0.000 1.119 436 L CA 1.119 55.924 54.840 -0.057 0.000 0.790 436 L CB -0.275 41.715 42.059 -0.115 0.000 0.919 436 L HN 0.661 nan 8.230 nan 0.000 0.443 437 S N -2.593 112.968 115.700 -0.231 0.000 2.558 437 S HA -0.013 4.457 4.470 0.001 0.000 0.217 437 S C 0.437 174.862 174.600 -0.291 0.000 0.975 437 S CA -0.068 57.983 58.200 -0.248 0.000 0.912 437 S CB 0.119 63.209 63.200 -0.183 0.000 0.776 437 S HN 0.342 nan 8.310 nan 0.000 0.526 438 D N -0.163 120.076 120.400 -0.269 0.000 2.318 438 D HA 0.212 4.853 4.640 0.001 0.000 0.233 438 D C -0.569 175.697 176.300 -0.057 0.000 1.348 438 D CA -0.532 53.345 54.000 -0.206 0.000 0.983 438 D CB 0.130 40.863 40.800 -0.111 0.000 1.416 438 D HN -0.028 nan 8.370 nan 0.000 0.558 439 Y N 0.927 121.207 120.300 -0.034 0.000 2.574 439 Y HA -0.069 4.482 4.550 0.001 0.000 0.294 439 Y C 2.547 178.452 175.900 0.008 0.000 1.142 439 Y CA 1.369 59.460 58.100 -0.015 0.000 1.314 439 Y CB -0.828 37.623 38.460 -0.015 0.000 0.991 439 Y HN 0.433 nan 8.280 nan 0.000 0.555 440 T N -2.565 112.065 114.554 0.128 0.000 3.085 440 T HA -0.029 4.321 4.350 0.001 0.000 0.263 440 T C 0.684 175.433 174.700 0.082 0.000 1.127 440 T CA 0.253 62.406 62.100 0.087 0.000 1.103 440 T CB -0.188 68.707 68.868 0.046 0.000 0.921 440 T HN 0.109 nan 8.240 nan 0.000 0.510 441 K N 2.113 122.565 120.400 0.087 0.000 2.244 441 K HA 0.495 4.815 4.320 0.001 0.000 0.263 441 K C -1.296 175.377 176.600 0.122 0.000 1.103 441 K CA -0.357 55.982 56.287 0.086 0.000 0.966 441 K CB 1.403 33.943 32.500 0.067 0.000 1.429 441 K HN 0.129 nan 8.250 nan 0.000 0.434 442 V N 2.482 122.467 119.914 0.119 0.000 2.384 442 V HA 0.249 4.370 4.120 0.001 0.000 0.287 442 V C -0.106 176.050 176.094 0.104 0.000 1.020 442 V CA -0.644 61.742 62.300 0.144 0.000 0.850 442 V CB 1.801 33.729 31.823 0.175 0.000 0.987 442 V HN 0.580 nan 8.190 nan 0.000 0.436 443 T N 3.490 118.075 114.554 0.051 0.000 2.786 443 T HA 0.235 4.586 4.350 0.001 0.000 0.283 443 T C -0.292 174.308 174.700 -0.167 0.000 0.992 443 T CA -0.281 61.791 62.100 -0.047 0.000 0.954 443 T CB 1.175 69.985 68.868 -0.096 0.000 0.934 443 T HN 0.742 nan 8.240 nan 0.000 0.440 444 C N 5.013 124.142 119.300 -0.285 0.000 2.576 444 C HA 0.374 4.834 4.460 0.001 0.000 0.401 444 C C 1.643 176.300 174.990 -0.555 0.000 1.314 444 C CA -0.454 58.128 59.018 -0.728 0.000 1.855 444 C CB -1.715 25.509 27.740 -0.860 0.000 2.537 444 C HN 0.980 nan 8.230 nan 0.000 0.578 445 L N 4.573 125.432 121.223 -0.607 0.000 2.513 445 L HA 0.105 4.445 4.340 0.001 0.000 0.222 445 L C 2.122 178.682 176.870 -0.517 0.000 1.096 445 L CA 0.755 55.330 54.840 -0.442 0.000 0.857 445 L CB -0.198 41.640 42.059 -0.368 0.000 1.026 445 L HN 0.865 nan 8.230 nan 0.000 0.469 446 S N -3.032 112.246 115.700 -0.703 0.000 2.549 446 S HA -0.007 4.464 4.470 0.001 0.000 0.225 446 S C 1.808 176.014 174.600 -0.657 0.000 1.039 446 S CA -0.140 57.547 58.200 -0.855 0.000 0.942 446 S CB -0.300 62.003 63.200 -1.495 0.000 0.881 446 S HN 0.280 nan 8.310 nan 0.000 0.503 447 C N 2.523 121.409 119.300 -0.690 0.000 2.398 447 C HA 0.007 4.468 4.460 0.001 0.000 0.276 447 C C 2.327 177.024 174.990 -0.488 0.000 1.222 447 C CA 1.055 59.587 59.018 -0.810 0.000 1.746 447 C CB -0.831 26.156 27.740 -1.255 0.000 2.039 447 C HN 0.589 nan 8.230 nan 0.000 0.470 448 E N 0.170 120.168 120.200 -0.337 0.000 2.481 448 E HA 0.188 4.539 4.350 0.001 0.000 0.198 448 E C 1.879 178.424 176.600 -0.092 0.000 1.027 448 E CA -0.029 56.275 56.400 -0.159 0.000 0.900 448 E CB -0.227 29.397 29.700 -0.126 0.000 0.993 448 E HN 0.640 nan 8.360 nan 0.000 0.482 449 L N 0.493 121.655 121.223 -0.102 0.000 2.017 449 L HA -0.087 4.253 4.340 0.001 0.000 0.208 449 L C 1.044 177.921 176.870 0.012 0.000 1.073 449 L CA 1.016 55.836 54.840 -0.033 0.000 0.745 449 L CB -0.040 42.011 42.059 -0.013 0.000 0.894 449 L HN 0.035 nan 8.230 nan 0.000 0.432 450 N N -1.616 117.108 118.700 0.040 0.000 2.839 450 N HA 0.129 4.869 4.740 0.001 0.000 0.230 450 N C -2.276 173.262 175.510 0.046 0.000 1.388 450 N CA -0.966 52.105 53.050 0.034 0.000 0.747 450 N CB 1.056 39.558 38.487 0.025 0.000 1.411 450 N HN -0.220 nan 8.380 nan 0.000 0.556 451 P HA -0.060 nan 4.420 nan 0.000 0.218 451 P C 1.033 178.377 177.300 0.074 0.000 1.149 451 P CA 0.908 64.061 63.100 0.088 0.000 0.817 451 P CB 0.676 32.443 31.700 0.111 0.000 0.785 452 E N -0.282 119.943 120.200 0.042 0.000 2.112 452 E HA -0.150 4.200 4.350 0.001 0.000 0.190 452 E C 2.213 178.816 176.600 0.005 0.000 0.979 452 E CA 0.567 56.983 56.400 0.025 0.000 0.814 452 E CB 0.004 29.712 29.700 0.013 0.000 0.762 452 E HN 0.028 nan 8.360 nan 0.000 0.460 453 R N -0.854 119.639 120.500 -0.011 0.000 2.156 453 R HA 0.096 4.436 4.340 0.001 0.000 0.207 453 R C -0.209 176.046 176.300 -0.074 0.000 1.040 453 R CA 0.591 56.661 56.100 -0.049 0.000 1.013 453 R CB 0.418 30.679 30.300 -0.065 0.000 0.931 453 R HN 0.084 nan 8.270 nan 0.000 0.465 454 c N 0.946 119.512 118.600 -0.055 0.000 2.407 454 c HA 0.405 4.976 4.570 0.001 0.000 0.328 454 c C -0.021 174.050 174.090 -0.032 0.000 1.137 454 c CA -0.690 55.548 56.329 -0.151 0.000 1.390 454 c CB 1.355 43.738 42.510 -0.213 0.000 1.989 454 c HN 0.528 nan 8.230 nan 0.000 0.432 455 Q N 0.390 120.168 119.800 -0.038 0.000 2.140 455 Q HA 0.205 4.546 4.340 0.001 0.000 0.227 455 Q C -0.879 175.184 176.000 0.107 0.000 0.798 455 Q CA 0.148 56.007 55.803 0.093 0.000 0.987 455 Q CB 1.375 30.180 28.738 0.112 0.000 1.161 455 Q HN 0.784 nan 8.270 nan 0.000 0.480 456 Y N 0.403 120.596 120.300 -0.179 0.000 2.333 456 Y HA 0.377 4.927 4.550 0.001 0.000 0.324 456 Y C -1.641 174.100 175.900 -0.265 0.000 1.033 456 Y CA -1.051 56.968 58.100 -0.134 0.000 1.224 456 Y CB 0.813 39.208 38.460 -0.108 0.000 1.120 456 Y HN -0.088 nan 8.280 nan 0.000 0.457 457 Y N 2.480 122.724 120.300 -0.094 0.000 2.468 457 Y HA 0.645 5.196 4.550 0.001 0.000 0.342 457 Y C 0.242 176.100 175.900 -0.069 0.000 1.021 457 Y CA -0.599 57.460 58.100 -0.069 0.000 1.079 457 Y CB 2.260 40.646 38.460 -0.124 0.000 1.226 457 Y HN 0.538 nan 8.280 nan 0.000 0.460 458 S N 0.902 116.702 115.700 0.167 0.000 2.671 458 S HA 0.878 5.349 4.470 0.001 0.000 0.299 458 S C -1.514 173.171 174.600 0.142 0.000 1.116 458 S CA -0.780 57.503 58.200 0.138 0.000 0.912 458 S CB 1.914 65.203 63.200 0.148 0.000 1.130 458 S HN 0.587 nan 8.310 nan 0.000 0.501 459 V N 0.214 120.208 119.914 0.135 0.000 2.971 459 V HA 0.824 4.944 4.120 0.001 0.000 0.309 459 V C -1.192 175.000 176.094 0.164 0.000 1.130 459 V CA -0.326 62.032 62.300 0.097 0.000 0.964 459 V CB 2.321 34.139 31.823 -0.008 0.000 1.029 459 V HN 1.121 nan 8.190 nan 0.000 0.427 460 S N 4.985 120.780 115.700 0.158 0.000 2.707 460 S HA 0.670 5.140 4.470 0.001 0.000 0.312 460 S C -1.126 173.635 174.600 0.268 0.000 1.116 460 S CA -0.376 58.007 58.200 0.304 0.000 1.078 460 S CB 0.380 63.810 63.200 0.384 0.000 0.997 460 S HN 0.491 nan 8.310 nan 0.000 0.477 461 F N 3.204 123.220 119.950 0.110 0.000 2.375 461 F HA 0.401 4.929 4.527 0.001 0.000 0.333 461 F C 1.418 176.824 175.800 -0.656 0.000 1.104 461 F CA -0.184 57.718 58.000 -0.163 0.000 1.149 461 F CB 1.300 40.191 39.000 -0.181 0.000 1.190 461 F HN 0.626 nan 8.300 nan 0.000 0.533 462 S N 2.586 117.664 115.700 -1.036 0.000 2.606 462 S HA 0.125 4.596 4.470 0.001 0.000 0.257 462 S C 1.309 175.713 174.600 -0.325 0.000 1.327 462 S CA -0.794 56.648 58.200 -1.263 0.000 0.984 462 S CB 0.773 63.234 63.200 -1.232 0.000 0.941 462 S HN 0.574 nan 8.310 nan 0.000 0.576 463 K N 1.060 121.396 120.400 -0.107 0.000 2.052 463 K HA -0.136 4.184 4.320 0.001 0.000 0.215 463 K C 1.025 177.647 176.600 0.037 0.000 1.053 463 K CA 1.749 58.059 56.287 0.039 0.000 0.934 463 K CB -0.502 32.061 32.500 0.105 0.000 0.717 463 K HN 0.741 nan 8.250 nan 0.000 0.450 464 E N -0.729 119.486 120.200 0.026 0.000 2.496 464 E HA 0.265 4.616 4.350 0.001 0.000 0.202 464 E C 0.164 176.766 176.600 0.003 0.000 1.021 464 E CA 0.135 56.555 56.400 0.032 0.000 1.015 464 E CB 0.498 30.229 29.700 0.053 0.000 1.102 464 E HN 0.247 nan 8.360 nan 0.000 0.452 465 A N 1.260 124.067 122.820 -0.021 0.000 2.860 465 A HA -0.334 3.986 4.320 0.001 0.000 0.267 465 A C 1.530 179.119 177.584 0.009 0.000 1.421 465 A CA 1.685 53.731 52.037 0.014 0.000 0.831 465 A CB -2.115 16.778 19.000 -0.178 0.000 1.041 465 A HN 0.297 nan 8.150 nan 0.000 0.623 466 K N -1.795 118.556 120.400 -0.081 0.000 2.155 466 K HA 0.056 4.377 4.320 0.001 0.000 0.203 466 K C 0.107 176.376 176.600 -0.552 0.000 1.052 466 K CA 1.499 57.621 56.287 -0.274 0.000 0.948 466 K CB -0.023 32.319 32.500 -0.264 0.000 0.728 466 K HN 0.684 nan 8.250 nan 0.000 0.448 467 Y N -0.854 119.377 120.300 -0.115 0.000 2.536 467 Y HA 0.315 4.866 4.550 0.001 0.000 0.347 467 Y C -0.939 174.844 175.900 -0.194 0.000 1.000 467 Y CA -1.387 56.623 58.100 -0.150 0.000 1.051 467 Y CB 1.636 40.035 38.460 -0.101 0.000 1.259 467 Y HN -0.054 nan 8.280 nan 0.000 0.468 468 Y N -0.991 119.231 120.300 -0.130 0.000 2.492 468 Y HA 0.526 5.077 4.550 0.001 0.000 0.346 468 Y C -1.015 174.889 175.900 0.007 0.000 0.997 468 Y CA -1.604 56.271 58.100 -0.376 0.000 1.025 468 Y CB 1.389 39.080 38.460 -1.281 0.000 1.263 468 Y HN 0.591 nan 8.280 nan 0.000 0.454 469 Q N 3.823 123.750 119.800 0.211 0.000 2.274 469 Q HA 0.497 4.838 4.340 0.001 0.000 0.256 469 Q C -1.604 174.492 176.000 0.159 0.000 0.927 469 Q CA -0.585 55.313 55.803 0.158 0.000 0.939 469 Q CB 1.055 29.863 28.738 0.115 0.000 1.201 469 Q HN 0.962 nan 8.270 nan 0.000 0.426 470 L N 4.233 125.571 121.223 0.191 0.000 2.289 470 L HA 0.466 4.807 4.340 0.001 0.000 0.285 470 L C -0.459 176.496 176.870 0.142 0.000 1.049 470 L CA -0.591 54.357 54.840 0.180 0.000 0.804 470 L CB 1.153 43.308 42.059 0.160 0.000 1.195 470 L HN 0.576 nan 8.230 nan 0.000 0.428 471 R N 2.305 122.866 120.500 0.102 0.000 2.310 471 R HA 0.275 4.616 4.340 0.001 0.000 0.316 471 R C -0.899 175.265 176.300 -0.226 0.000 1.004 471 R CA -0.309 55.684 56.100 -0.178 0.000 0.900 471 R CB 1.245 31.512 30.300 -0.056 0.000 1.152 471 R HN 0.566 nan 8.270 nan 0.000 0.513 472 c N 2.745 121.083 118.600 -0.437 0.000 2.415 472 c HA 0.394 4.965 4.570 0.001 0.000 0.369 472 c C 1.367 175.207 174.090 -0.417 0.000 1.279 472 c CA -0.154 55.795 56.329 -0.632 0.000 1.886 472 c CB -0.245 41.858 42.510 -0.678 0.000 2.468 472 c HN 0.983 nan 8.230 nan 0.000 0.553 473 S N 3.842 119.389 115.700 -0.254 0.000 2.578 473 S HA 0.593 5.064 4.470 0.001 0.000 0.231 473 S C 0.446 174.989 174.600 -0.095 0.000 0.994 473 S CA 0.242 58.358 58.200 -0.140 0.000 0.956 473 S CB 0.070 63.231 63.200 -0.065 0.000 0.870 473 S HN 1.862 nan 8.310 nan 0.000 0.494 474 G N 1.673 110.402 108.800 -0.119 0.000 2.316 474 G HA2 0.395 4.356 3.960 0.001 0.000 0.296 474 G HA3 0.395 4.356 3.960 0.001 0.000 0.296 474 G C -3.036 171.834 174.900 -0.051 0.000 1.399 474 G CA -0.504 44.566 45.100 -0.050 0.000 0.833 474 G HN -0.126 nan 8.290 nan 0.000 0.565 475 P HA 0.138 nan 4.420 nan 0.000 0.236 475 P C 1.267 178.596 177.300 0.049 0.000 1.177 475 P CA 1.256 64.378 63.100 0.037 0.000 0.773 475 P CB 0.423 32.142 31.700 0.031 0.000 0.878 476 G N 0.413 109.176 108.800 -0.062 0.000 2.510 476 G HA2 0.404 4.365 3.960 0.001 0.000 0.280 476 G HA3 0.404 4.365 3.960 0.001 0.000 0.280 476 G C -0.295 174.377 174.900 -0.380 0.000 1.386 476 G CA -0.754 44.239 45.100 -0.179 0.000 1.047 476 G HN 0.036 nan 8.290 nan 0.000 0.527 477 L N 1.259 122.172 121.223 -0.516 0.000 2.456 477 L HA 0.155 4.496 4.340 0.001 0.000 0.272 477 L C -1.850 174.843 176.870 -0.296 0.000 1.189 477 L CA -1.266 53.231 54.840 -0.571 0.000 0.846 477 L CB 0.623 42.417 42.059 -0.442 0.000 1.111 477 L HN 0.237 nan 8.230 nan 0.000 0.475 478 P HA 0.002 nan 4.420 nan 0.000 0.264 478 P C -0.927 176.267 177.300 -0.177 0.000 1.179 478 P CA 0.085 63.072 63.100 -0.189 0.000 0.763 478 P CB 0.522 32.196 31.700 -0.043 0.000 0.806 479 L N 4.928 125.952 121.223 -0.331 0.000 2.438 479 L HA 0.489 4.830 4.340 0.001 0.000 0.270 479 L C -1.852 174.833 176.870 -0.309 0.000 0.972 479 L CA -0.671 54.054 54.840 -0.192 0.000 0.831 479 L CB 1.073 43.052 42.059 -0.132 0.000 1.273 479 L HN 0.215 nan 8.230 nan 0.000 0.405 480 Y N 2.710 122.963 120.300 -0.077 0.000 2.335 480 Y HA 0.766 5.316 4.550 0.001 0.000 0.338 480 Y C 0.399 176.189 175.900 -0.184 0.000 0.977 480 Y CA -0.450 57.586 58.100 -0.107 0.000 1.114 480 Y CB 2.207 40.578 38.460 -0.148 0.000 1.182 480 Y HN 0.683 nan 8.280 nan 0.000 0.463 481 T N 0.835 115.382 114.554 -0.012 0.000 2.903 481 T HA 0.703 5.053 4.350 0.001 0.000 0.299 481 T C -1.551 173.021 174.700 -0.213 0.000 1.093 481 T CA -0.868 61.144 62.100 -0.147 0.000 1.002 481 T CB 1.973 70.792 68.868 -0.081 0.000 1.127 481 T HN 0.379 nan 8.240 nan 0.000 0.488 482 L N 2.051 123.022 121.223 -0.419 0.000 2.329 482 L HA 0.621 4.962 4.340 0.001 0.000 0.279 482 L C -0.724 175.759 176.870 -0.645 0.000 1.014 482 L CA -0.311 54.322 54.840 -0.345 0.000 0.814 482 L CB 1.164 43.092 42.059 -0.218 0.000 1.257 482 L HN 0.825 nan 8.230 nan 0.000 0.424 483 H N 1.409 120.240 119.070 -0.398 0.000 2.895 483 H HA 0.559 5.115 4.556 0.001 0.000 0.373 483 H C -0.953 174.108 175.328 -0.444 0.000 1.174 483 H CA -0.858 54.842 56.048 -0.579 0.000 1.144 483 H CB 2.093 31.148 29.762 -1.179 0.000 1.793 483 H HN 0.562 nan 8.280 nan 0.000 0.551 484 S N 0.425 116.032 115.700 -0.156 0.000 2.454 484 S HA 0.219 4.690 4.470 0.001 0.000 0.306 484 S C 0.664 175.207 174.600 -0.095 0.000 1.100 484 S CA -0.712 57.388 58.200 -0.166 0.000 1.087 484 S CB 1.856 64.981 63.200 -0.124 0.000 1.019 484 S HN 0.564 nan 8.310 nan 0.000 0.480 485 S N 2.121 117.791 115.700 -0.051 0.000 2.402 485 S HA -0.103 4.367 4.470 0.001 0.000 0.229 485 S C 1.874 176.507 174.600 0.054 0.000 1.021 485 S CA 0.935 59.216 58.200 0.136 0.000 0.974 485 S CB -0.440 62.833 63.200 0.122 0.000 0.800 485 S HN 0.686 nan 8.310 nan 0.000 0.484 486 V N 2.531 122.428 119.914 -0.028 0.000 2.287 486 V HA -0.135 3.985 4.120 0.001 0.000 0.248 486 V C 0.806 176.904 176.094 0.007 0.000 1.053 486 V CA 1.775 64.072 62.300 -0.006 0.000 1.027 486 V CB -0.264 31.541 31.823 -0.029 0.000 0.646 486 V HN 0.448 nan 8.190 nan 0.000 0.447 487 N N -0.453 118.246 118.700 -0.002 0.000 2.299 487 N HA 0.142 4.883 4.740 0.001 0.000 0.246 487 N C -0.312 175.201 175.510 0.004 0.000 1.254 487 N CA 0.320 53.370 53.050 0.000 0.000 0.879 487 N CB 0.296 38.782 38.487 -0.001 0.000 1.214 487 N HN 0.487 nan 8.380 nan 0.000 0.510 488 D N 0.613 121.031 120.400 0.030 0.000 2.702 488 D HA -0.199 4.442 4.640 0.001 0.000 0.233 488 D C -0.057 176.264 176.300 0.034 0.000 1.164 488 D CA 1.080 55.120 54.000 0.067 0.000 0.638 488 D CB -0.600 40.239 40.800 0.066 0.000 1.041 488 D HN 0.174 nan 8.370 nan 0.000 0.422 489 K N 0.366 120.767 120.400 0.002 0.000 2.448 489 K HA 0.290 4.610 4.320 0.001 0.000 0.278 489 K C 0.977 177.562 176.600 -0.026 0.000 1.009 489 K CA 0.261 56.540 56.287 -0.014 0.000 0.995 489 K CB 0.772 33.256 32.500 -0.028 0.000 0.917 489 K HN 0.207 nan 8.250 nan 0.000 0.481 490 G N 3.963 112.738 108.800 -0.041 0.000 2.530 490 G HA2 0.184 4.145 3.960 0.001 0.000 0.313 490 G HA3 0.184 4.145 3.960 0.001 0.000 0.313 490 G C 0.727 175.488 174.900 -0.231 0.000 0.971 490 G CA -0.379 44.608 45.100 -0.188 0.000 1.237 490 G HN 0.598 nan 8.290 nan 0.000 0.446 491 L N 1.592 122.641 121.223 -0.290 0.000 1.988 491 L HA 0.163 4.504 4.340 0.001 0.000 0.207 491 L C 1.765 178.528 176.870 -0.178 0.000 1.071 491 L CA 1.201 55.933 54.840 -0.180 0.000 0.744 491 L CB -0.218 41.761 42.059 -0.135 0.000 0.893 491 L HN 0.681 nan 8.230 nan 0.000 0.433 492 R N -1.784 118.570 120.500 -0.243 0.000 2.712 492 R HA 0.455 4.796 4.340 0.001 0.000 0.272 492 R C -1.633 174.521 176.300 -0.243 0.000 1.032 492 R CA -0.877 55.104 56.100 -0.198 0.000 0.874 492 R CB 1.506 31.718 30.300 -0.146 0.000 1.256 492 R HN -0.246 nan 8.270 nan 0.000 0.468 493 V N 3.331 123.132 119.914 -0.189 0.000 2.432 493 V HA 0.162 4.283 4.120 0.001 0.000 0.271 493 V C 1.360 177.305 176.094 -0.249 0.000 1.046 493 V CA -0.376 61.813 62.300 -0.185 0.000 0.945 493 V CB 1.037 32.791 31.823 -0.115 0.000 0.992 493 V HN 0.664 nan 8.190 nan 0.000 0.471 494 L N 2.598 123.598 121.223 -0.371 0.000 2.102 494 L HA 0.256 4.597 4.340 0.001 0.000 0.202 494 L C 0.793 177.389 176.870 -0.456 0.000 1.076 494 L CA 0.829 55.249 54.840 -0.699 0.000 0.761 494 L CB 0.162 41.403 42.059 -1.363 0.000 0.921 494 L HN 0.685 nan 8.230 nan 0.000 0.444 495 E N -0.147 119.928 120.200 -0.209 0.000 2.343 495 E HA 0.092 4.443 4.350 0.001 0.000 0.288 495 E C -1.142 175.511 176.600 0.088 0.000 0.907 495 E CA -0.375 56.017 56.400 -0.014 0.000 0.792 495 E CB 1.125 30.837 29.700 0.020 0.000 1.275 495 E HN 0.176 nan 8.360 nan 0.000 0.402 496 D N 3.043 123.467 120.400 0.039 0.000 2.433 496 D HA 0.134 4.774 4.640 0.001 0.000 0.211 496 D C -0.222 176.086 176.300 0.014 0.000 1.114 496 D CA -0.229 53.782 54.000 0.019 0.000 0.837 496 D CB -0.001 40.789 40.800 -0.016 0.000 0.984 496 D HN 0.440 nan 8.370 nan 0.000 0.505 497 N N 0.326 119.051 118.700 0.043 0.000 2.725 497 N HA -0.206 4.534 4.740 0.001 0.000 0.249 497 N C 0.850 176.363 175.510 0.004 0.000 1.103 497 N CA 0.922 53.990 53.050 0.031 0.000 0.707 497 N CB -1.333 37.162 38.487 0.013 0.000 1.043 497 N HN 0.482 nan 8.380 nan 0.000 0.553 498 S N -1.417 114.287 115.700 0.008 0.000 2.423 498 S HA 0.022 4.493 4.470 0.001 0.000 0.231 498 S C 2.073 176.685 174.600 0.019 0.000 1.014 498 S CA 0.826 59.028 58.200 0.003 0.000 0.965 498 S CB -0.009 63.192 63.200 0.001 0.000 0.785 498 S HN 0.504 nan 8.310 nan 0.000 0.495 499 A N 2.162 125.003 122.820 0.035 0.000 1.877 499 A HA 0.073 4.393 4.320 0.001 0.000 0.216 499 A C 2.198 179.823 177.584 0.069 0.000 1.186 499 A CA 1.525 53.593 52.037 0.051 0.000 0.620 499 A CB -0.947 18.087 19.000 0.057 0.000 0.822 499 A HN 0.480 nan 8.150 nan 0.000 0.443 500 L N 0.602 121.869 121.223 0.073 0.000 2.012 500 L HA -0.198 4.143 4.340 0.001 0.000 0.210 500 L C 2.001 178.903 176.870 0.055 0.000 1.073 500 L CA 2.863 57.761 54.840 0.097 0.000 0.748 500 L CB -0.918 41.192 42.059 0.086 0.000 0.891 500 L HN 0.572 nan 8.230 nan 0.000 0.431 501 D N -0.769 119.633 120.400 0.003 0.000 2.133 501 D HA -0.307 4.334 4.640 0.001 0.000 0.192 501 D C 2.272 178.575 176.300 0.005 0.000 1.001 501 D CA 1.906 55.892 54.000 -0.024 0.000 0.844 501 D CB -0.141 40.635 40.800 -0.040 0.000 0.944 501 D HN 0.343 nan 8.370 nan 0.000 0.447 502 K N -0.831 119.585 120.400 0.027 0.000 2.057 502 K HA -0.148 4.172 4.320 0.001 0.000 0.207 502 K C 2.087 178.726 176.600 0.065 0.000 1.049 502 K CA 1.104 57.415 56.287 0.039 0.000 0.931 502 K CB -0.020 32.505 32.500 0.042 0.000 0.714 502 K HN 0.178 nan 8.250 nan 0.000 0.440 503 M N 0.908 120.569 119.600 0.102 0.000 2.086 503 M HA -0.140 4.341 4.480 0.001 0.000 0.261 503 M C 2.160 178.527 176.300 0.111 0.000 1.067 503 M CA 1.425 56.830 55.300 0.175 0.000 1.116 503 M CB -0.895 31.894 32.600 0.314 0.000 1.348 503 M HN 0.180 nan 8.290 nan 0.000 0.407 504 L N -0.396 120.839 121.223 0.020 0.000 2.353 504 L HA -0.207 4.134 4.340 0.001 0.000 0.220 504 L C 2.361 179.212 176.870 -0.033 0.000 1.133 504 L CA 0.741 55.533 54.840 -0.081 0.000 0.798 504 L CB -0.644 41.368 42.059 -0.078 0.000 0.922 504 L HN 0.431 nan 8.230 nan 0.000 0.445 505 Q N 0.229 120.031 119.800 0.004 0.000 2.226 505 Q HA -0.176 4.164 4.340 0.001 0.000 0.204 505 Q C 0.860 176.878 176.000 0.028 0.000 0.975 505 Q CA 1.348 57.159 55.803 0.013 0.000 0.866 505 Q CB -0.090 28.661 28.738 0.021 0.000 0.915 505 Q HN 0.584 nan 8.270 nan 0.000 0.440 506 N N -0.662 118.065 118.700 0.045 0.000 2.279 506 N HA 0.116 4.857 4.740 0.001 0.000 0.226 506 N C -1.351 174.201 175.510 0.070 0.000 1.126 506 N CA -0.165 52.924 53.050 0.065 0.000 0.846 506 N CB 1.137 39.676 38.487 0.086 0.000 1.050 506 N HN -0.129 nan 8.380 nan 0.000 0.502 507 V N 0.679 120.613 119.914 0.033 0.000 2.735 507 V HA 0.242 4.363 4.120 0.001 0.000 0.310 507 V C -0.204 175.903 176.094 0.022 0.000 1.061 507 V CA -0.955 61.363 62.300 0.030 0.000 0.913 507 V CB 2.246 34.032 31.823 -0.061 0.000 1.005 507 V HN 0.113 nan 8.190 nan 0.000 0.428 508 Q N 3.938 123.768 119.800 0.051 0.000 2.664 508 Q HA 0.335 4.675 4.340 0.001 0.000 0.223 508 Q C -0.474 175.516 176.000 -0.017 0.000 1.298 508 Q CA -0.257 55.558 55.803 0.020 0.000 0.965 508 Q CB 0.407 29.198 28.738 0.088 0.000 1.510 508 Q HN 0.515 nan 8.270 nan 0.000 0.567 509 M N 3.473 123.040 119.600 -0.056 0.000 2.250 509 M HA 0.312 4.793 4.480 0.001 0.000 0.344 509 M C -1.970 174.265 176.300 -0.109 0.000 1.150 509 M CA -2.537 52.717 55.300 -0.077 0.000 1.147 509 M CB -0.044 32.513 32.600 -0.071 0.000 1.498 509 M HN 0.278 nan 8.290 nan 0.000 0.461 510 P HA 0.227 nan 4.420 nan 0.000 0.274 510 P C -0.725 176.486 177.300 -0.148 0.000 1.246 510 P CA -0.336 62.675 63.100 -0.149 0.000 0.795 510 P CB 0.492 32.090 31.700 -0.169 0.000 1.006 511 S N -0.454 115.144 115.700 -0.169 0.000 2.739 511 S HA 0.626 5.096 4.470 0.001 0.000 0.306 511 S C -0.489 174.005 174.600 -0.177 0.000 1.115 511 S CA -0.787 57.322 58.200 -0.152 0.000 0.985 511 S CB 1.568 64.679 63.200 -0.149 0.000 1.133 511 S HN 0.479 nan 8.310 nan 0.000 0.541 512 K N 0.448 120.765 120.400 -0.137 0.000 2.376 512 K HA 0.393 4.713 4.320 0.001 0.000 0.257 512 K C -1.196 175.331 176.600 -0.121 0.000 0.939 512 K CA -0.512 55.697 56.287 -0.129 0.000 0.809 512 K CB 1.318 33.764 32.500 -0.089 0.000 1.121 512 K HN 0.685 nan 8.250 nan 0.000 0.425 513 K N 5.084 125.397 120.400 -0.145 0.000 2.213 513 K HA 0.290 4.611 4.320 0.001 0.000 0.270 513 K C -1.411 175.128 176.600 -0.101 0.000 1.002 513 K CA -0.778 55.432 56.287 -0.127 0.000 0.868 513 K CB 0.859 33.259 32.500 -0.166 0.000 1.093 513 K HN 0.457 nan 8.250 nan 0.000 0.454 514 L N 4.302 125.487 121.223 -0.062 0.000 2.305 514 L HA 0.497 4.838 4.340 0.001 0.000 0.284 514 L C -0.997 175.854 176.870 -0.031 0.000 1.013 514 L CA 0.183 55.017 54.840 -0.011 0.000 0.819 514 L CB 1.344 43.469 42.059 0.109 0.000 1.227 514 L HN 0.807 nan 8.230 nan 0.000 0.417 515 D N 2.627 122.854 120.400 -0.288 0.000 2.825 515 D HA 0.498 5.138 4.640 0.001 0.000 0.327 515 D C -1.639 174.325 176.300 -0.561 0.000 1.277 515 D CA -0.065 53.663 54.000 -0.452 0.000 0.950 515 D CB 1.703 42.168 40.800 -0.559 0.000 1.438 515 D HN 0.215 nan 8.370 nan 0.000 0.526 516 F N -0.017 119.612 119.950 -0.536 0.000 2.599 516 F HA 0.700 5.227 4.527 0.001 0.000 0.311 516 F C -0.575 175.302 175.800 0.129 0.000 1.076 516 F CA -1.068 56.703 58.000 -0.382 0.000 0.937 516 F CB 0.932 39.251 39.000 -1.136 0.000 1.282 516 F HN 0.273 nan 8.300 nan 0.000 0.460 517 I N 0.257 121.145 120.570 0.530 0.000 2.910 517 I HA 0.702 4.872 4.170 0.001 0.000 0.310 517 I C -1.194 175.184 176.117 0.435 0.000 1.043 517 I CA -1.269 60.273 61.300 0.405 0.000 1.053 517 I CB 2.327 40.510 38.000 0.305 0.000 1.242 517 I HN 0.651 nan 8.210 nan 0.000 0.452 518 I N 3.651 124.404 120.570 0.306 0.000 2.377 518 I HA 0.434 4.604 4.170 0.001 0.000 0.293 518 I C -0.809 175.458 176.117 0.251 0.000 0.987 518 I CA -0.564 60.892 61.300 0.261 0.000 1.185 518 I CB 1.789 39.900 38.000 0.184 0.000 1.341 518 I HN 0.375 nan 8.210 nan 0.000 0.455 519 L N 6.410 127.835 121.223 0.336 0.000 2.404 519 L HA 0.411 4.751 4.340 0.001 0.000 0.272 519 L C -0.318 176.697 176.870 0.242 0.000 0.980 519 L CA -0.712 54.298 54.840 0.283 0.000 0.836 519 L CB 1.425 43.683 42.059 0.331 0.000 1.238 519 L HN 0.606 nan 8.230 nan 0.000 0.408 520 N N 2.901 121.676 118.700 0.125 0.000 2.696 520 N HA -0.215 4.525 4.740 0.001 0.000 0.256 520 N C 0.394 175.944 175.510 0.066 0.000 1.031 520 N CA 1.341 54.439 53.050 0.080 0.000 0.730 520 N CB -0.596 37.931 38.487 0.067 0.000 0.894 520 N HN 0.849 nan 8.380 nan 0.000 0.544 521 E N -3.305 116.928 120.200 0.056 0.000 3.253 521 E HA -0.255 4.095 4.350 0.001 0.000 0.284 521 E C -0.553 176.040 176.600 -0.011 0.000 0.958 521 E CA 1.659 58.074 56.400 0.025 0.000 0.917 521 E CB -1.159 28.547 29.700 0.010 0.000 1.466 521 E HN 0.544 nan 8.360 nan 0.000 0.455 522 T N 1.099 115.647 114.554 -0.010 0.000 2.797 522 T HA 0.339 4.690 4.350 0.001 0.000 0.279 522 T C -0.145 174.402 174.700 -0.254 0.000 0.991 522 T CA -0.986 61.004 62.100 -0.183 0.000 0.979 522 T CB 1.178 69.875 68.868 -0.285 0.000 0.943 522 T HN 0.095 nan 8.240 nan 0.000 0.444 523 K N 2.644 122.838 120.400 -0.345 0.000 2.298 523 K HA 0.493 4.813 4.320 0.001 0.000 0.280 523 K C -1.151 175.163 176.600 -0.478 0.000 1.032 523 K CA -0.317 55.782 56.287 -0.313 0.000 0.958 523 K CB 0.551 32.706 32.500 -0.576 0.000 0.978 523 K HN 0.395 nan 8.250 nan 0.000 0.472 524 F N 1.316 121.349 119.950 0.138 0.000 2.529 524 F HA 0.326 4.854 4.527 0.001 0.000 0.320 524 F C -0.691 175.241 175.800 0.220 0.000 1.118 524 F CA -0.890 57.208 58.000 0.164 0.000 0.915 524 F CB 1.223 40.310 39.000 0.145 0.000 1.161 524 F HN 0.499 nan 8.300 nan 0.000 0.445 525 W N 3.321 124.786 121.300 0.276 0.000 2.381 525 W HA 0.512 5.173 4.660 0.001 0.000 0.329 525 W C -0.645 176.088 176.519 0.357 0.000 1.157 525 W CA -0.710 56.815 57.345 0.300 0.000 1.240 525 W CB 0.610 30.174 29.460 0.173 0.000 1.199 525 W HN 0.426 nan 8.180 nan 0.000 0.579 526 Y N -0.183 120.461 120.300 0.574 0.000 2.576 526 Y HA 0.672 5.223 4.550 0.001 0.000 0.346 526 Y C -0.780 175.336 175.900 0.361 0.000 1.018 526 Y CA -1.843 56.581 58.100 0.540 0.000 1.050 526 Y CB 1.146 40.070 38.460 0.774 0.000 1.280 526 Y HN 0.573 nan 8.280 nan 0.000 0.474 527 Q N 2.487 122.506 119.800 0.365 0.000 2.387 527 Q HA 0.732 5.073 4.340 0.001 0.000 0.273 527 Q C -1.611 174.504 176.000 0.192 0.000 1.089 527 Q CA -1.160 54.742 55.803 0.165 0.000 0.824 527 Q CB 3.153 31.956 28.738 0.108 0.000 1.367 527 Q HN 0.860 nan 8.270 nan 0.000 0.443 528 M N 2.526 122.158 119.600 0.053 0.000 2.259 528 M HA 0.411 4.892 4.480 0.001 0.000 0.304 528 M C -1.144 175.075 176.300 -0.135 0.000 1.019 528 M CA -0.918 54.350 55.300 -0.054 0.000 0.922 528 M CB 2.003 34.527 32.600 -0.127 0.000 1.600 528 M HN 0.587 nan 8.290 nan 0.000 0.433 529 I N 5.301 125.796 120.570 -0.126 0.000 2.322 529 I HA 0.291 4.461 4.170 0.001 0.000 0.292 529 I C -0.365 175.603 176.117 -0.247 0.000 1.060 529 I CA -0.108 61.090 61.300 -0.171 0.000 1.309 529 I CB -0.036 37.884 38.000 -0.133 0.000 1.415 529 I HN 0.639 nan 8.210 nan 0.000 0.492 530 L N 8.546 129.570 121.223 -0.332 0.000 2.309 530 L HA 0.449 4.789 4.340 0.001 0.000 0.282 530 L C -2.176 174.509 176.870 -0.309 0.000 1.036 530 L CA -1.883 52.669 54.840 -0.481 0.000 0.806 530 L CB 1.341 42.914 42.059 -0.810 0.000 1.220 530 L HN 0.276 nan 8.230 nan 0.000 0.429 531 P HA 0.006 nan 4.420 nan 0.000 0.267 531 P C -2.423 174.848 177.300 -0.049 0.000 1.201 531 P CA -0.709 62.339 63.100 -0.088 0.000 0.775 531 P CB -0.327 31.387 31.700 0.023 0.000 0.854 532 P HA -0.099 nan 4.420 nan 0.000 0.266 532 P C -0.131 177.112 177.300 -0.096 0.000 1.195 532 P CA 0.779 63.767 63.100 -0.187 0.000 0.768 532 P CB -0.063 31.510 31.700 -0.211 0.000 0.838 533 H N -1.087 118.024 119.070 0.068 0.000 2.756 533 H HA -0.207 4.350 4.556 0.001 0.000 0.315 533 H C 0.008 175.403 175.328 0.111 0.000 1.210 533 H CA 0.088 56.180 56.048 0.073 0.000 1.150 533 H CB -2.394 27.401 29.762 0.055 0.000 1.463 533 H HN 0.404 nan 8.280 nan 0.000 0.427 534 F N 2.417 122.367 119.950 -0.001 0.000 2.602 534 F HA 0.133 4.661 4.527 0.001 0.000 0.385 534 F C 0.549 176.366 175.800 0.028 0.000 1.063 534 F CA -0.077 57.888 58.000 -0.058 0.000 1.233 534 F CB 0.525 39.376 39.000 -0.248 0.000 1.067 534 F HN 0.165 nan 8.300 nan 0.000 0.564 535 D N 6.276 126.350 120.400 -0.544 0.000 2.461 535 D HA 0.112 4.753 4.640 0.001 0.000 0.240 535 D C 0.571 176.510 176.300 -0.603 0.000 1.094 535 D CA -0.483 53.276 54.000 -0.401 0.000 0.868 535 D CB 0.999 41.722 40.800 -0.129 0.000 1.062 535 D HN 0.710 nan 8.370 nan 0.000 0.530 536 K N 0.795 120.832 120.400 -0.604 0.000 2.574 536 K HA -0.066 4.255 4.320 0.001 0.000 0.193 536 K C 0.893 177.493 176.600 -0.000 0.000 1.035 536 K CA 0.733 56.848 56.287 -0.287 0.000 0.982 536 K CB -0.021 32.454 32.500 -0.041 0.000 0.795 536 K HN 0.155 nan 8.250 nan 0.000 0.491 537 S N -0.558 115.104 115.700 -0.064 0.000 2.540 537 S HA 0.190 4.660 4.470 0.001 0.000 0.218 537 S C 0.198 174.766 174.600 -0.053 0.000 0.977 537 S CA -0.638 57.546 58.200 -0.028 0.000 0.918 537 S CB 0.164 63.341 63.200 -0.038 0.000 0.806 537 S HN 0.053 nan 8.310 nan 0.000 0.496 538 K N 1.944 122.292 120.400 -0.087 0.000 2.118 538 K HA 0.449 4.770 4.320 0.001 0.000 0.254 538 K C -0.529 175.991 176.600 -0.134 0.000 0.961 538 K CA -0.503 55.669 56.287 -0.192 0.000 0.876 538 K CB 0.984 33.246 32.500 -0.397 0.000 1.077 538 K HN 0.058 nan 8.250 nan 0.000 0.440 539 K N 2.710 122.994 120.400 -0.193 0.000 2.234 539 K HA 0.266 4.586 4.320 0.001 0.000 0.277 539 K C -0.475 176.006 176.600 -0.198 0.000 1.038 539 K CA -0.353 55.882 56.287 -0.087 0.000 0.888 539 K CB 0.469 32.920 32.500 -0.082 0.000 1.091 539 K HN 0.442 nan 8.250 nan 0.000 0.467 540 Y N 3.142 123.461 120.300 0.032 0.000 2.420 540 Y HA 0.267 4.818 4.550 0.001 0.000 0.334 540 Y C -1.695 174.135 175.900 -0.117 0.000 1.094 540 Y CA -2.277 55.820 58.100 -0.006 0.000 1.126 540 Y CB 1.097 39.620 38.460 0.106 0.000 1.217 540 Y HN 0.461 nan 8.280 nan 0.000 0.462 541 P HA 0.130 nan 4.420 nan 0.000 0.272 541 P C -1.120 176.029 177.300 -0.251 0.000 1.230 541 P CA -0.194 62.603 63.100 -0.505 0.000 0.788 541 P CB 1.492 32.442 31.700 -1.250 0.000 0.949 542 L N 2.176 123.287 121.223 -0.187 0.000 2.385 542 L HA 0.522 4.862 4.340 0.001 0.000 0.273 542 L C -1.227 175.825 176.870 0.303 0.000 0.990 542 L CA -1.175 53.711 54.840 0.077 0.000 0.821 542 L CB 1.757 43.872 42.059 0.093 0.000 1.279 542 L HN 0.151 nan 8.230 nan 0.000 0.412 543 L N 5.343 126.771 121.223 0.342 0.000 2.287 543 L HA 0.487 4.828 4.340 0.001 0.000 0.287 543 L C -1.147 175.963 176.870 0.400 0.000 1.022 543 L CA -0.303 54.797 54.840 0.432 0.000 0.814 543 L CB 1.538 43.816 42.059 0.366 0.000 1.217 543 L HN 0.632 nan 8.230 nan 0.000 0.420 544 L N 5.202 126.706 121.223 0.468 0.000 2.295 544 L HA 0.358 4.699 4.340 0.001 0.000 0.288 544 L C -0.510 176.599 176.870 0.398 0.000 1.079 544 L CA 0.148 55.253 54.840 0.441 0.000 0.830 544 L CB 0.369 42.733 42.059 0.509 0.000 1.200 544 L HN 0.635 nan 8.230 nan 0.000 0.438 545 D N 4.191 124.801 120.400 0.350 0.000 2.316 545 D HA 0.220 4.861 4.640 0.001 0.000 0.245 545 D C -0.942 175.434 176.300 0.126 0.000 1.171 545 D CA 0.103 54.222 54.000 0.199 0.000 0.856 545 D CB 1.241 42.221 40.800 0.300 0.000 1.090 545 D HN 0.300 nan 8.370 nan 0.000 0.476 546 V N 5.798 125.714 119.914 0.002 0.000 2.604 546 V HA 0.396 4.516 4.120 0.001 0.000 0.305 546 V C -0.890 175.292 176.094 0.146 0.000 1.043 546 V CA -0.471 61.897 62.300 0.112 0.000 0.888 546 V CB 1.573 33.466 31.823 0.116 0.000 0.995 546 V HN 0.664 nan 8.190 nan 0.000 0.429 547 Y N 5.531 125.899 120.300 0.113 0.000 2.972 547 Y HA 0.586 5.137 4.550 0.001 0.000 0.211 547 Y C 1.594 177.642 175.900 0.247 0.000 0.969 547 Y CA 1.504 59.702 58.100 0.163 0.000 1.574 547 Y CB 0.162 38.702 38.460 0.133 0.000 1.364 547 Y HN 1.067 nan 8.280 nan 0.000 0.467 548 A N 0.431 123.356 122.820 0.176 0.000 3.021 548 A HA -0.136 4.184 4.320 0.001 0.000 0.257 548 A C 1.010 178.448 177.584 -0.244 0.000 1.277 548 A CA 0.766 52.851 52.037 0.081 0.000 1.012 548 A CB -2.557 16.549 19.000 0.176 0.000 1.147 548 A HN 0.981 nan 8.150 nan 0.000 0.861 549 G N -0.558 107.850 108.800 -0.654 0.000 2.664 549 G HA2 0.441 4.402 3.960 0.001 0.000 0.242 549 G HA3 0.441 4.402 3.960 0.001 0.000 0.242 549 G C -2.086 172.498 174.900 -0.527 0.000 1.225 549 G CA -0.351 44.004 45.100 -1.242 0.000 0.849 549 G HN 0.357 nan 8.290 nan 0.000 0.581 550 P HA 0.125 nan 4.420 nan 0.000 0.267 550 P C 0.556 177.695 177.300 -0.269 0.000 1.205 550 P CA -0.084 62.726 63.100 -0.483 0.000 0.765 550 P CB 0.881 31.937 31.700 -1.073 0.000 0.828 551 C N 2.147 121.370 119.300 -0.130 0.000 4.417 551 C HA -0.140 4.321 4.460 0.001 0.000 0.284 551 C C 0.918 175.948 174.990 0.066 0.000 1.379 551 C CA 1.220 60.147 59.018 -0.152 0.000 1.918 551 C CB -2.704 24.837 27.740 -0.332 0.000 1.280 551 C HN 0.806 nan 8.230 nan 0.000 0.783 552 S N -0.012 115.779 115.700 0.151 0.000 2.672 552 S HA 0.656 5.127 4.470 0.001 0.000 0.276 552 S C -0.704 174.065 174.600 0.281 0.000 1.207 552 S CA -0.099 58.281 58.200 0.299 0.000 1.002 552 S CB 1.804 65.253 63.200 0.416 0.000 0.998 552 S HN 0.778 nan 8.310 nan 0.000 0.542 553 Q N -0.012 119.980 119.800 0.319 0.000 2.275 553 Q HA 0.382 4.723 4.340 0.001 0.000 0.258 553 Q C -0.845 175.285 176.000 0.218 0.000 0.960 553 Q CA -0.620 55.358 55.803 0.292 0.000 0.801 553 Q CB 1.182 30.155 28.738 0.392 0.000 1.302 553 Q HN 0.699 nan 8.270 nan 0.000 0.433 554 K N 1.087 121.610 120.400 0.205 0.000 2.402 554 K HA 0.353 4.674 4.320 0.001 0.000 0.203 554 K C -0.587 176.118 176.600 0.176 0.000 1.077 554 K CA 0.271 56.668 56.287 0.184 0.000 1.051 554 K CB 1.674 34.307 32.500 0.223 0.000 0.907 554 K HN 0.521 nan 8.250 nan 0.000 0.554 555 A N 2.701 125.635 122.820 0.189 0.000 2.267 555 A HA 0.481 4.801 4.320 0.001 0.000 0.315 555 A C -0.828 176.829 177.584 0.122 0.000 1.297 555 A CA -0.475 51.675 52.037 0.188 0.000 0.865 555 A CB 0.276 19.447 19.000 0.287 0.000 1.165 555 A HN 0.236 nan 8.150 nan 0.000 0.513 556 D N -0.047 120.396 120.400 0.072 0.000 2.759 556 D HA 0.395 5.035 4.640 0.001 0.000 0.321 556 D C 0.294 176.598 176.300 0.007 0.000 1.267 556 D CA 0.291 54.316 54.000 0.042 0.000 0.933 556 D CB 0.260 41.078 40.800 0.031 0.000 1.431 556 D HN 0.198 nan 8.370 nan 0.000 0.504 557 T N -2.263 112.307 114.554 0.026 0.000 3.186 557 T HA 0.343 4.694 4.350 0.001 0.000 0.257 557 T C 0.367 175.019 174.700 -0.079 0.000 1.029 557 T CA -0.376 61.734 62.100 0.017 0.000 0.916 557 T CB -0.679 68.248 68.868 0.098 0.000 1.041 557 T HN 0.278 nan 8.240 nan 0.000 0.562 558 V N 2.516 122.283 119.914 -0.246 0.000 2.614 558 V HA 0.331 4.452 4.120 0.001 0.000 0.291 558 V C 0.094 176.126 176.094 -0.103 0.000 1.049 558 V CA -1.032 61.089 62.300 -0.299 0.000 1.038 558 V CB 0.154 31.676 31.823 -0.502 0.000 0.980 558 V HN 0.566 nan 8.190 nan 0.000 0.481 559 F N 6.440 126.291 119.950 -0.165 0.000 2.438 559 F HA 0.524 5.052 4.527 0.001 0.000 0.356 559 F C 0.588 176.329 175.800 -0.098 0.000 1.099 559 F CA -0.054 57.875 58.000 -0.119 0.000 1.185 559 F CB 0.215 39.154 39.000 -0.102 0.000 1.115 559 F HN 0.438 nan 8.300 nan 0.000 0.526 560 R N 6.740 126.813 120.500 -0.712 0.000 2.673 560 R HA 0.543 4.884 4.340 0.001 0.000 0.281 560 R C -1.694 174.218 176.300 -0.647 0.000 0.991 560 R CA -1.077 54.745 56.100 -0.464 0.000 0.896 560 R CB 2.134 32.292 30.300 -0.236 0.000 1.201 560 R HN 0.648 nan 8.270 nan 0.000 0.457 561 L N 3.991 125.017 121.223 -0.328 0.000 2.318 561 L HA 0.441 4.782 4.340 0.001 0.000 0.277 561 L C -0.584 176.276 176.870 -0.017 0.000 1.008 561 L CA -0.683 54.003 54.840 -0.257 0.000 0.846 561 L CB 0.737 42.775 42.059 -0.034 0.000 1.220 561 L HN 0.774 nan 8.230 nan 0.000 0.423 562 N N 0.486 119.098 118.700 -0.147 0.000 3.418 562 N HA 0.147 4.887 4.740 0.001 0.000 0.316 562 N C 0.111 175.294 175.510 -0.544 0.000 1.601 562 N CA -0.889 51.974 53.050 -0.312 0.000 0.805 562 N CB 0.196 38.621 38.487 -0.103 0.000 1.873 562 N HN 0.338 nan 8.380 nan 0.000 0.615 563 W N 0.693 121.440 121.300 -0.923 0.000 2.363 563 W HA 0.189 4.850 4.660 0.001 0.000 0.296 563 W C 2.047 178.539 176.519 -0.044 0.000 1.212 563 W CA 2.826 59.868 57.345 -0.506 0.000 1.260 563 W CB -0.964 28.354 29.460 -0.237 0.000 1.131 563 W HN 0.711 nan 8.180 nan 0.000 0.530 564 A N -0.466 122.342 122.820 -0.020 0.000 1.933 564 A HA -0.209 4.112 4.320 0.001 0.000 0.218 564 A C 1.946 179.431 177.584 -0.164 0.000 1.175 564 A CA 2.503 54.466 52.037 -0.123 0.000 0.628 564 A CB -1.281 17.725 19.000 0.010 0.000 0.814 564 A HN 0.299 nan 8.150 nan 0.000 0.444 565 T N -1.102 113.362 114.554 -0.151 0.000 2.684 565 T HA -0.226 4.125 4.350 0.001 0.000 0.267 565 T C 1.819 176.531 174.700 0.020 0.000 1.036 565 T CA 1.774 63.754 62.100 -0.200 0.000 1.148 565 T CB -0.543 68.007 68.868 -0.530 0.000 0.863 565 T HN 0.678 nan 8.240 nan 0.000 0.436 566 Y N 2.161 122.549 120.300 0.147 0.000 2.145 566 Y HA -0.084 4.467 4.550 0.001 0.000 0.286 566 Y C 1.987 177.885 175.900 -0.003 0.000 1.145 566 Y CA 0.995 59.217 58.100 0.204 0.000 1.148 566 Y CB -0.816 37.764 38.460 0.201 0.000 0.981 566 Y HN 0.125 nan 8.280 nan 0.000 0.507 567 L N 0.214 121.016 121.223 -0.701 0.000 2.042 567 L HA -0.232 4.109 4.340 0.001 0.000 0.210 567 L C 2.850 179.474 176.870 -0.410 0.000 1.076 567 L CA 1.408 55.774 54.840 -0.790 0.000 0.749 567 L CB -1.016 40.626 42.059 -0.695 0.000 0.893 567 L HN 0.417 nan 8.230 nan 0.000 0.432 568 A N -1.303 121.360 122.820 -0.261 0.000 1.872 568 A HA -0.187 4.134 4.320 0.001 0.000 0.214 568 A C 2.521 180.044 177.584 -0.102 0.000 1.187 568 A CA 1.843 53.785 52.037 -0.158 0.000 0.614 568 A CB -0.650 18.255 19.000 -0.159 0.000 0.826 568 A HN 0.333 nan 8.150 nan 0.000 0.442 569 S N -1.316 114.340 115.700 -0.074 0.000 2.355 569 S HA -0.102 4.369 4.470 0.001 0.000 0.222 569 S C 1.963 176.586 174.600 0.039 0.000 1.031 569 S CA 2.175 60.383 58.200 0.013 0.000 0.993 569 S CB -0.330 62.931 63.200 0.102 0.000 0.859 569 S HN 0.585 nan 8.310 nan 0.000 0.453 570 T N 1.010 115.562 114.554 -0.004 0.000 3.033 570 T HA 0.198 4.548 4.350 0.001 0.000 0.248 570 T C 1.339 176.021 174.700 -0.030 0.000 1.040 570 T CA 0.438 62.560 62.100 0.037 0.000 1.133 570 T CB -0.025 68.950 68.868 0.178 0.000 0.895 570 T HN 0.282 nan 8.240 nan 0.000 0.465 571 E N 1.200 121.297 120.200 -0.172 0.000 2.472 571 E HA 0.181 4.532 4.350 0.001 0.000 0.196 571 E C -0.012 176.580 176.600 -0.014 0.000 1.033 571 E CA -0.051 56.283 56.400 -0.110 0.000 0.886 571 E CB -0.182 29.384 29.700 -0.224 0.000 0.944 571 E HN 0.514 nan 8.360 nan 0.000 0.492 572 N N 0.556 119.261 118.700 0.008 0.000 2.754 572 N HA -0.188 4.553 4.740 0.001 0.000 0.248 572 N C -0.844 174.766 175.510 0.167 0.000 1.093 572 N CA 0.258 53.385 53.050 0.128 0.000 0.699 572 N CB -1.300 37.300 38.487 0.188 0.000 1.016 572 N HN 0.189 nan 8.380 nan 0.000 0.552 573 I N 0.944 121.539 120.570 0.043 0.000 2.359 573 I HA 0.318 4.489 4.170 0.001 0.000 0.294 573 I C 0.622 176.731 176.117 -0.014 0.000 0.987 573 I CA -0.804 60.523 61.300 0.045 0.000 1.225 573 I CB 1.124 39.158 38.000 0.057 0.000 1.366 573 I HN 0.042 nan 8.210 nan 0.000 0.466 574 I N 6.717 127.285 120.570 -0.002 0.000 2.471 574 I HA 0.088 4.258 4.170 0.001 0.000 0.286 574 I C -0.299 175.817 176.117 -0.002 0.000 1.079 574 I CA -0.161 61.099 61.300 -0.066 0.000 1.398 574 I CB 0.689 38.652 38.000 -0.061 0.000 1.403 574 I HN 0.209 nan 8.210 nan 0.000 0.530 575 V N 6.935 126.834 119.914 -0.026 0.000 2.328 575 V HA 0.602 4.723 4.120 0.001 0.000 0.278 575 V C 0.392 176.524 176.094 0.063 0.000 1.021 575 V CA -0.506 61.827 62.300 0.055 0.000 0.838 575 V CB 0.986 32.837 31.823 0.046 0.000 0.999 575 V HN 0.830 nan 8.190 nan 0.000 0.447 576 A N 4.012 126.905 122.820 0.122 0.000 2.320 576 A HA 0.933 5.254 4.320 0.001 0.000 0.334 576 A C -0.044 177.709 177.584 0.281 0.000 1.147 576 A CA -0.460 51.652 52.037 0.125 0.000 0.820 576 A CB 1.483 20.451 19.000 -0.053 0.000 1.218 576 A HN 0.693 nan 8.150 nan 0.000 0.482 577 S N -0.221 115.687 115.700 0.346 0.000 2.549 577 S HA 0.746 5.217 4.470 0.001 0.000 0.280 577 S C -1.482 173.470 174.600 0.587 0.000 1.109 577 S CA -0.305 58.140 58.200 0.408 0.000 0.905 577 S CB 1.338 64.714 63.200 0.293 0.000 1.081 577 S HN 0.758 nan 8.310 nan 0.000 0.477 578 F N 1.755 121.939 119.950 0.391 0.000 2.569 578 F HA 0.495 5.022 4.527 0.001 0.000 0.312 578 F C -1.585 174.416 175.800 0.335 0.000 1.109 578 F CA -0.747 57.507 58.000 0.422 0.000 0.919 578 F CB 1.547 40.767 39.000 0.367 0.000 1.211 578 F HN 0.392 nan 8.300 nan 0.000 0.446 579 D N 4.464 124.619 120.400 -0.409 0.000 2.454 579 D HA 0.387 5.028 4.640 0.001 0.000 0.225 579 D C 0.313 176.290 176.300 -0.538 0.000 1.081 579 D CA 0.102 53.954 54.000 -0.247 0.000 0.864 579 D CB 1.511 42.343 40.800 0.053 0.000 1.040 579 D HN 0.771 nan 8.370 nan 0.000 0.517 580 G N 1.296 109.867 108.800 -0.381 0.000 2.782 580 G HA2 0.314 4.275 3.960 0.001 0.000 0.201 580 G HA3 0.314 4.275 3.960 0.001 0.000 0.201 580 G C 0.137 175.000 174.900 -0.063 0.000 1.374 580 G CA -0.694 44.195 45.100 -0.352 0.000 1.039 580 G HN 0.277 nan 8.290 nan 0.000 0.576 581 R N -0.745 119.698 120.500 -0.094 0.000 2.623 581 R HA 0.376 4.716 4.340 0.001 0.000 0.271 581 R C 1.268 177.645 176.300 0.129 0.000 1.043 581 R CA 1.387 57.550 56.100 0.104 0.000 1.083 581 R CB 0.508 30.858 30.300 0.084 0.000 0.974 581 R HN 1.059 nan 8.270 nan 0.000 0.436 582 G N 1.053 109.932 108.800 0.132 0.000 2.225 582 G HA2 -0.339 3.621 3.960 0.001 0.000 0.254 582 G HA3 -0.339 3.621 3.960 0.001 0.000 0.254 582 G C 0.168 175.090 174.900 0.038 0.000 0.988 582 G CA 0.300 45.455 45.100 0.091 0.000 0.625 582 G HN 0.728 nan 8.290 nan 0.000 0.527 583 S N 0.247 115.983 115.700 0.060 0.000 2.600 583 S HA 0.658 5.129 4.470 0.001 0.000 0.265 583 S C 0.859 175.439 174.600 -0.032 0.000 1.325 583 S CA 0.399 58.627 58.200 0.047 0.000 1.002 583 S CB 1.775 65.037 63.200 0.102 0.000 0.921 583 S HN 1.653 nan 8.310 nan 0.000 0.554 584 G N -0.785 107.944 108.800 -0.118 0.000 2.511 584 G HA2 0.494 4.455 3.960 0.001 0.000 0.316 584 G HA3 0.494 4.455 3.960 0.001 0.000 0.316 584 G C -0.927 173.770 174.900 -0.338 0.000 1.210 584 G CA -0.955 43.861 45.100 -0.472 0.000 0.969 584 G HN 1.011 nan 8.290 nan 0.000 0.492 585 Y N -2.556 117.755 120.300 0.018 0.000 4.729 585 Y HA -0.211 4.339 4.550 0.001 0.000 0.239 585 Y C 1.346 177.262 175.900 0.027 0.000 1.043 585 Y CA 0.941 59.056 58.100 0.026 0.000 2.045 585 Y CB -2.189 36.304 38.460 0.054 0.000 1.599 585 Y HN 0.555 nan 8.280 nan 0.000 0.655 586 Q N 0.107 119.925 119.800 0.031 0.000 2.112 586 Q HA 0.508 4.848 4.340 0.001 0.000 0.222 586 Q C 0.987 176.863 176.000 -0.207 0.000 0.798 586 Q CA 0.210 56.035 55.803 0.036 0.000 1.060 586 Q CB 1.618 30.380 28.738 0.040 0.000 1.184 586 Q HN 0.599 nan 8.270 nan 0.000 0.475 587 G N 0.835 109.380 108.800 -0.426 0.000 2.699 587 G HA2 -0.195 3.765 3.960 0.001 0.000 0.686 587 G HA3 -0.195 3.765 3.960 0.001 0.000 0.686 587 G C -0.448 174.083 174.900 -0.616 0.000 1.301 587 G CA -0.479 44.097 45.100 -0.874 0.000 0.816 587 G HN 0.139 nan 8.290 nan 0.000 0.595 588 D N -0.129 119.871 120.400 -0.667 0.000 2.224 588 D HA -0.034 4.606 4.640 0.001 0.000 0.205 588 D C 2.226 178.261 176.300 -0.442 0.000 0.965 588 D CA 1.241 54.811 54.000 -0.716 0.000 0.852 588 D CB 0.005 40.332 40.800 -0.789 0.000 0.947 588 D HN 0.602 nan 8.370 nan 0.000 0.494 589 K N 0.583 120.778 120.400 -0.342 0.000 2.074 589 K HA -0.140 4.181 4.320 0.001 0.000 0.209 589 K C 2.009 178.544 176.600 -0.109 0.000 1.048 589 K CA 1.032 57.209 56.287 -0.184 0.000 0.926 589 K CB -0.067 32.335 32.500 -0.162 0.000 0.713 589 K HN 0.098 nan 8.250 nan 0.000 0.444 590 I N 0.241 120.733 120.570 -0.129 0.000 2.277 590 I HA -0.212 3.959 4.170 0.001 0.000 0.243 590 I C 2.651 178.765 176.117 -0.006 0.000 1.094 590 I CA 0.909 62.206 61.300 -0.005 0.000 1.393 590 I CB -0.114 37.902 38.000 0.027 0.000 1.078 590 I HN 0.286 nan 8.210 nan 0.000 0.417 591 M N 0.012 119.531 119.600 -0.134 0.000 2.132 591 M HA -0.225 4.256 4.480 0.001 0.000 0.263 591 M C 1.915 178.253 176.300 0.063 0.000 1.065 591 M CA 1.989 57.232 55.300 -0.095 0.000 1.122 591 M CB -0.274 32.167 32.600 -0.265 0.000 1.365 591 M HN 0.276 nan 8.290 nan 0.000 0.411 592 H N -0.895 118.079 119.070 -0.159 0.000 2.539 592 H HA 0.186 4.742 4.556 0.001 0.000 0.267 592 H C 1.870 177.222 175.328 0.041 0.000 0.982 592 H CA 0.113 56.078 56.048 -0.137 0.000 1.146 592 H CB 0.192 29.777 29.762 -0.295 0.000 1.382 592 H HN 0.512 nan 8.280 nan 0.000 0.577 593 A N 1.559 124.490 122.820 0.185 0.000 1.978 593 A HA -0.172 4.149 4.320 0.001 0.000 0.220 593 A C 1.949 179.754 177.584 0.368 0.000 1.170 593 A CA 1.454 53.630 52.037 0.232 0.000 0.636 593 A CB -0.560 18.540 19.000 0.166 0.000 0.810 593 A HN 0.461 nan 8.150 nan 0.000 0.448 594 I N -2.218 118.527 120.570 0.292 0.000 3.861 594 I HA 0.152 4.323 4.170 0.001 0.000 0.329 594 I C 0.421 176.614 176.117 0.128 0.000 1.321 594 I CA -0.655 60.757 61.300 0.187 0.000 1.126 594 I CB -0.922 37.157 38.000 0.132 0.000 1.018 594 I HN 0.214 nan 8.210 nan 0.000 0.407 595 N N 3.095 121.921 118.700 0.210 0.000 2.411 595 N HA -0.066 4.675 4.740 0.001 0.000 0.261 595 N C 0.200 175.728 175.510 0.030 0.000 1.248 595 N CA 0.249 53.415 53.050 0.193 0.000 0.885 595 N CB 0.262 38.835 38.487 0.143 0.000 1.062 595 N HN 0.377 nan 8.380 nan 0.000 0.471 596 R N 0.919 121.411 120.500 -0.013 0.000 3.989 596 R HA -0.181 4.159 4.340 0.001 0.000 0.377 596 R C 0.164 176.311 176.300 -0.255 0.000 1.158 596 R CA 0.897 56.943 56.100 -0.090 0.000 1.035 596 R CB -1.110 29.159 30.300 -0.052 0.000 1.557 596 R HN 0.672 nan 8.270 nan 0.000 0.551 597 R N 0.852 121.190 120.500 -0.270 0.000 2.579 597 R HA 0.245 4.585 4.340 0.001 0.000 0.386 597 R C -0.329 175.902 176.300 -0.115 0.000 1.065 597 R CA -0.274 55.526 56.100 -0.501 0.000 1.143 597 R CB 0.456 30.488 30.300 -0.447 0.000 1.357 597 R HN 0.008 nan 8.270 nan 0.000 0.644 598 L N -0.168 121.075 121.223 0.033 0.000 2.483 598 L HA 0.172 4.513 4.340 0.001 0.000 0.275 598 L C 1.363 178.471 176.870 0.396 0.000 1.220 598 L CA 1.071 55.988 54.840 0.127 0.000 0.833 598 L CB 0.483 42.412 42.059 -0.216 0.000 1.102 598 L HN 0.577 nan 8.230 nan 0.000 0.490 599 G N 0.624 109.699 108.800 0.460 0.000 2.160 599 G HA2 -0.292 3.669 3.960 0.001 0.000 0.251 599 G HA3 -0.292 3.669 3.960 0.001 0.000 0.251 599 G C 0.446 175.426 174.900 0.134 0.000 1.008 599 G CA 0.639 45.932 45.100 0.323 0.000 0.724 599 G HN 0.900 nan 8.290 nan 0.000 0.514 600 T N -3.918 110.681 114.554 0.075 0.000 3.257 600 T HA 0.473 4.824 4.350 0.001 0.000 0.176 600 T C 1.618 176.312 174.700 -0.010 0.000 0.892 600 T CA 0.879 62.931 62.100 -0.080 0.000 1.147 600 T CB 0.012 68.660 68.868 -0.367 0.000 1.840 600 T HN 0.137 nan 8.240 nan 0.000 0.375 601 F N 3.412 123.400 119.950 0.064 0.000 2.171 601 F HA 0.101 4.629 4.527 0.001 0.000 0.300 601 F C 2.804 178.629 175.800 0.042 0.000 1.090 601 F CA 1.179 59.203 58.000 0.040 0.000 1.293 601 F CB -0.654 38.365 39.000 0.033 0.000 1.013 601 F HN 0.539 nan 8.300 nan 0.000 0.486 602 E N 0.730 121.078 120.200 0.247 0.000 2.204 602 E HA -0.113 4.237 4.350 0.001 0.000 0.194 602 E C 2.066 178.764 176.600 0.162 0.000 0.989 602 E CA 1.376 57.893 56.400 0.194 0.000 0.824 602 E CB -0.943 28.876 29.700 0.199 0.000 0.756 602 E HN 0.293 nan 8.360 nan 0.000 0.477 603 V N 1.815 121.801 119.914 0.121 0.000 2.283 603 V HA -0.207 3.914 4.120 0.001 0.000 0.243 603 V C 2.347 178.472 176.094 0.051 0.000 1.039 603 V CA 2.056 64.384 62.300 0.046 0.000 1.016 603 V CB -0.650 31.155 31.823 -0.030 0.000 0.650 603 V HN 0.208 nan 8.190 nan 0.000 0.449 604 E N 0.388 120.634 120.200 0.077 0.000 2.097 604 E HA -0.282 4.068 4.350 0.001 0.000 0.196 604 E C 1.895 178.519 176.600 0.040 0.000 1.000 604 E CA 1.740 58.183 56.400 0.072 0.000 0.804 604 E CB -0.255 29.524 29.700 0.133 0.000 0.740 604 E HN 0.588 nan 8.360 nan 0.000 0.454 605 D N 0.197 120.637 120.400 0.066 0.000 2.178 605 D HA -0.119 4.522 4.640 0.001 0.000 0.202 605 D C 2.026 178.320 176.300 -0.010 0.000 0.974 605 D CA 0.701 54.720 54.000 0.031 0.000 0.841 605 D CB -0.135 40.721 40.800 0.094 0.000 0.953 605 D HN 0.107 nan 8.370 nan 0.000 0.478 606 Q N 0.239 120.096 119.800 0.095 0.000 2.084 606 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 606 Q C 2.565 178.588 176.000 0.040 0.000 0.978 606 Q CA 0.642 56.499 55.803 0.091 0.000 0.844 606 Q CB -0.251 28.570 28.738 0.139 0.000 0.898 606 Q HN 0.421 nan 8.270 nan 0.000 0.426 607 I N 0.711 121.322 120.570 0.068 0.000 2.226 607 I HA -0.263 3.908 4.170 0.001 0.000 0.245 607 I C 2.432 178.496 176.117 -0.089 0.000 1.100 607 I CA 1.253 62.627 61.300 0.123 0.000 1.374 607 I CB -0.212 37.853 38.000 0.109 0.000 1.057 607 I HN 0.158 nan 8.210 nan 0.000 0.413 608 E N 1.518 121.615 120.200 -0.172 0.000 2.072 608 E HA -0.192 4.159 4.350 0.001 0.000 0.191 608 E C 2.121 178.417 176.600 -0.506 0.000 0.985 608 E CA 1.645 57.882 56.400 -0.272 0.000 0.801 608 E CB -0.186 29.383 29.700 -0.218 0.000 0.750 608 E HN 0.400 nan 8.360 nan 0.000 0.452 609 A N 0.941 123.290 122.820 -0.785 0.000 1.883 609 A HA -0.091 4.230 4.320 0.001 0.000 0.217 609 A C 2.484 179.240 177.584 -1.380 0.000 1.186 609 A CA 2.349 53.575 52.037 -1.351 0.000 0.624 609 A CB -1.186 16.709 19.000 -1.840 0.000 0.822 609 A HN 0.410 nan 8.150 nan 0.000 0.444 610 A N -0.512 121.878 122.820 -0.715 0.000 1.877 610 A HA -0.175 4.146 4.320 0.001 0.000 0.216 610 A C 2.249 179.596 177.584 -0.396 0.000 1.186 610 A CA 1.773 53.568 52.037 -0.405 0.000 0.620 610 A CB -0.562 18.325 19.000 -0.190 0.000 0.822 610 A HN 0.555 nan 8.150 nan 0.000 0.443 611 R N -0.445 119.833 120.500 -0.371 0.000 2.096 611 R HA -0.227 4.114 4.340 0.001 0.000 0.240 611 R C 2.409 178.541 176.300 -0.280 0.000 1.139 611 R CA 2.115 58.042 56.100 -0.287 0.000 0.952 611 R CB -0.321 29.842 30.300 -0.228 0.000 0.854 611 R HN 0.714 nan 8.270 nan 0.000 0.436 612 Q N -0.775 118.795 119.800 -0.383 0.000 2.046 612 Q HA -0.156 4.185 4.340 0.001 0.000 0.200 612 Q C 2.083 177.958 176.000 -0.207 0.000 0.975 612 Q CA 1.438 57.050 55.803 -0.319 0.000 0.836 612 Q CB -0.155 28.352 28.738 -0.384 0.000 0.896 612 Q HN 0.315 nan 8.270 nan 0.000 0.428 613 F N 1.205 120.990 119.950 -0.274 0.000 2.126 613 F HA -0.208 4.319 4.527 0.001 0.000 0.299 613 F C 2.783 178.421 175.800 -0.269 0.000 1.096 613 F CA 1.396 59.230 58.000 -0.277 0.000 1.255 613 F CB -1.473 37.396 39.000 -0.219 0.000 0.997 613 F HN 0.101 nan 8.300 nan 0.000 0.479 614 S N -0.323 115.338 115.700 -0.064 0.000 2.469 614 S HA -0.179 4.291 4.470 0.001 0.000 0.238 614 S C 1.713 176.229 174.600 -0.140 0.000 0.998 614 S CA 1.091 59.219 58.200 -0.120 0.000 0.957 614 S CB -0.518 62.586 63.200 -0.160 0.000 0.764 614 S HN 0.451 nan 8.310 nan 0.000 0.514 615 K N -0.184 120.129 120.400 -0.146 0.000 2.361 615 K HA 0.335 4.656 4.320 0.001 0.000 0.194 615 K C 0.281 176.780 176.600 -0.168 0.000 1.032 615 K CA -0.074 56.131 56.287 -0.137 0.000 1.048 615 K CB 0.043 32.472 32.500 -0.118 0.000 0.842 615 K HN 0.435 nan 8.250 nan 0.000 0.526 616 M N -0.072 119.378 119.600 -0.250 0.000 2.248 616 M HA 0.017 4.498 4.480 0.001 0.000 0.337 616 M C 1.529 177.570 176.300 -0.432 0.000 1.121 616 M CA 0.095 55.146 55.300 -0.416 0.000 1.155 616 M CB 0.954 33.092 32.600 -0.770 0.000 1.514 616 M HN 0.194 nan 8.290 nan 0.000 0.452 617 G N 1.964 110.582 108.800 -0.305 0.000 2.470 617 G HA2 -0.179 3.781 3.960 0.001 0.000 0.220 617 G HA3 -0.179 3.781 3.960 0.001 0.000 0.220 617 G C 0.770 175.643 174.900 -0.045 0.000 1.121 617 G CA 0.696 45.727 45.100 -0.116 0.000 0.766 617 G HN 0.807 nan 8.290 nan 0.000 0.553 618 F N -0.493 119.511 119.950 0.090 0.000 2.695 618 F HA 0.591 5.119 4.527 0.001 0.000 0.303 618 F C -0.038 175.882 175.800 0.200 0.000 1.091 618 F CA -1.357 56.739 58.000 0.161 0.000 1.300 618 F CB -0.151 39.011 39.000 0.270 0.000 1.071 618 F HN -0.178 nan 8.300 nan 0.000 0.578 619 V N 1.631 121.516 119.914 -0.048 0.000 2.435 619 V HA 0.208 4.329 4.120 0.001 0.000 0.290 619 V C -0.688 175.382 176.094 -0.039 0.000 1.030 619 V CA -0.799 61.502 62.300 0.002 0.000 0.881 619 V CB 1.498 33.263 31.823 -0.096 0.000 0.983 619 V HN 0.050 nan 8.190 nan 0.000 0.445 620 D N 3.771 124.148 120.400 -0.039 0.000 2.365 620 D HA 0.067 4.708 4.640 0.001 0.000 0.237 620 D C 1.202 177.447 176.300 -0.092 0.000 1.190 620 D CA -0.304 53.647 54.000 -0.080 0.000 0.867 620 D CB 0.771 41.504 40.800 -0.113 0.000 1.050 620 D HN 0.633 nan 8.370 nan 0.000 0.491 621 N N 3.705 122.353 118.700 -0.086 0.000 2.519 621 N HA -0.184 4.556 4.740 0.001 0.000 0.186 621 N C 0.746 176.210 175.510 -0.076 0.000 1.062 621 N CA 0.996 53.990 53.050 -0.093 0.000 0.910 621 N CB -0.122 38.306 38.487 -0.098 0.000 0.958 621 N HN 0.365 nan 8.380 nan 0.000 0.445 622 K N -0.448 119.916 120.400 -0.060 0.000 2.418 622 K HA 0.161 4.481 4.320 0.001 0.000 0.195 622 K C 0.183 176.782 176.600 -0.002 0.000 1.035 622 K CA 0.288 56.557 56.287 -0.029 0.000 1.003 622 K CB 0.345 32.829 32.500 -0.026 0.000 0.793 622 K HN 0.156 nan 8.250 nan 0.000 0.494 623 R N 1.208 121.676 120.500 -0.053 0.000 2.629 623 R HA 0.353 4.693 4.340 0.001 0.000 0.277 623 R C -1.066 175.185 176.300 -0.080 0.000 1.637 623 R CA -0.137 55.917 56.100 -0.076 0.000 1.663 623 R CB 0.602 30.678 30.300 -0.373 0.000 1.228 623 R HN -0.005 nan 8.270 nan 0.000 0.632 624 I N 1.089 121.744 120.570 0.143 0.000 2.436 624 I HA 0.578 4.749 4.170 0.001 0.000 0.289 624 I C -0.114 176.282 176.117 0.466 0.000 1.010 624 I CA -0.745 60.679 61.300 0.206 0.000 1.098 624 I CB 2.026 39.992 38.000 -0.058 0.000 1.266 624 I HN 0.329 nan 8.210 nan 0.000 0.434 625 A N 6.746 129.947 122.820 0.634 0.000 2.435 625 A HA 0.926 5.247 4.320 0.001 0.000 0.296 625 A C -1.243 176.715 177.584 0.622 0.000 1.147 625 A CA -0.647 51.752 52.037 0.604 0.000 0.775 625 A CB 1.981 21.220 19.000 0.399 0.000 1.340 625 A HN 0.721 nan 8.150 nan 0.000 0.427 626 I N 0.652 121.494 120.570 0.454 0.000 2.686 626 I HA 0.726 4.897 4.170 0.001 0.000 0.295 626 I C -1.750 174.621 176.117 0.424 0.000 1.114 626 I CA -0.516 60.974 61.300 0.317 0.000 1.038 626 I CB 1.581 39.471 38.000 -0.183 0.000 1.238 626 I HN 0.917 nan 8.210 nan 0.000 0.420 627 W N 7.082 128.514 121.300 0.220 0.000 3.137 627 W HA 0.856 5.516 4.660 0.001 0.000 0.324 627 W C -1.463 175.208 176.519 0.254 0.000 1.253 627 W CA -0.924 56.561 57.345 0.233 0.000 1.183 627 W CB 1.092 30.744 29.460 0.319 0.000 1.424 627 W HN 0.839 nan 8.180 nan 0.000 0.566 628 G N 0.637 109.386 108.800 -0.086 0.000 2.547 628 G HA2 0.455 4.416 3.960 0.001 0.000 0.291 628 G HA3 0.455 4.416 3.960 0.001 0.000 0.291 628 G C -2.846 172.032 174.900 -0.037 0.000 1.471 628 G CA -0.742 44.155 45.100 -0.338 0.000 0.798 628 G HN 0.618 nan 8.290 nan 0.000 0.504 629 W N 0.919 122.129 121.300 -0.150 0.000 2.736 629 W HA 0.587 5.248 4.660 0.001 0.000 0.335 629 W C 0.725 177.315 176.519 0.117 0.000 1.059 629 W CA 0.462 57.805 57.345 -0.002 0.000 1.226 629 W CB 1.681 31.139 29.460 -0.005 0.000 1.416 629 W HN 1.197 nan 8.180 nan 0.000 0.505 630 S N 1.834 117.800 115.700 0.443 0.000 4.118 630 S HA -0.423 4.047 4.470 0.001 0.000 0.624 630 S C 0.750 175.487 174.600 0.229 0.000 1.929 630 S CA 1.431 59.921 58.200 0.482 0.000 4.219 630 S CB -1.506 62.137 63.200 0.738 0.000 0.206 630 S HN 0.742 nan 8.310 nan 0.000 0.525 631 Y N 3.047 123.378 120.300 0.051 0.000 2.207 631 Y HA -0.012 4.539 4.550 0.001 0.000 0.287 631 Y C 2.456 178.273 175.900 -0.139 0.000 1.156 631 Y CA 2.344 60.344 58.100 -0.167 0.000 1.182 631 Y CB -1.013 37.126 38.460 -0.535 0.000 0.979 631 Y HN 0.575 nan 8.280 nan 0.000 0.521 632 G N -1.030 107.786 108.800 0.026 0.000 2.448 632 G HA2 -0.218 3.743 3.960 0.001 0.000 0.219 632 G HA3 -0.218 3.743 3.960 0.001 0.000 0.219 632 G C 1.889 176.826 174.900 0.061 0.000 1.127 632 G CA 0.751 45.901 45.100 0.084 0.000 0.766 632 G HN 0.587 nan 8.290 nan 0.000 0.552 633 G N -0.113 108.735 108.800 0.079 0.000 2.402 633 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 633 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 633 G C 1.570 176.489 174.900 0.032 0.000 1.162 633 G CA 1.019 46.148 45.100 0.049 0.000 0.777 633 G HN 0.389 nan 8.290 nan 0.000 0.539 634 Y N 1.502 121.699 120.300 -0.171 0.000 2.081 634 Y HA -0.199 4.352 4.550 0.001 0.000 0.280 634 Y C 2.815 178.608 175.900 -0.179 0.000 1.163 634 Y CA 1.896 59.834 58.100 -0.269 0.000 1.135 634 Y CB -0.550 37.589 38.460 -0.536 0.000 0.970 634 Y HN 0.035 nan 8.280 nan 0.000 0.498 635 V N -0.479 119.304 119.914 -0.219 0.000 2.358 635 V HA -0.308 3.813 4.120 0.001 0.000 0.246 635 V C 2.309 178.284 176.094 -0.198 0.000 1.047 635 V CA 2.337 64.498 62.300 -0.232 0.000 1.035 635 V CB -1.201 30.631 31.823 0.015 0.000 0.658 635 V HN 0.491 nan 8.190 nan 0.000 0.452 636 T N 0.078 114.570 114.554 -0.103 0.000 2.665 636 T HA -0.213 4.138 4.350 0.001 0.000 0.268 636 T C 2.137 176.771 174.700 -0.111 0.000 1.035 636 T CA 2.088 64.138 62.100 -0.084 0.000 1.151 636 T CB -0.299 68.601 68.868 0.053 0.000 0.862 636 T HN 0.528 nan 8.240 nan 0.000 0.438 637 S N 1.004 116.674 115.700 -0.050 0.000 2.368 637 S HA -0.009 4.461 4.470 0.001 0.000 0.225 637 S C 2.128 176.641 174.600 -0.145 0.000 1.030 637 S CA 0.917 59.118 58.200 0.002 0.000 0.999 637 S CB -0.271 62.971 63.200 0.071 0.000 0.844 637 S HN 0.317 nan 8.310 nan 0.000 0.459 638 M N 0.929 120.348 119.600 -0.302 0.000 2.175 638 M HA -0.012 4.469 4.480 0.001 0.000 0.264 638 M C 2.206 178.339 176.300 -0.278 0.000 1.063 638 M CA 1.003 56.105 55.300 -0.330 0.000 1.119 638 M CB -1.375 30.919 32.600 -0.509 0.000 1.377 638 M HN 0.176 nan 8.290 nan 0.000 0.415 639 V N 0.694 120.430 119.914 -0.296 0.000 2.295 639 V HA -0.246 3.875 4.120 0.001 0.000 0.246 639 V C 2.479 178.352 176.094 -0.369 0.000 1.049 639 V CA 1.476 63.590 62.300 -0.310 0.000 1.024 639 V CB -0.647 30.915 31.823 -0.435 0.000 0.648 639 V HN 0.402 nan 8.190 nan 0.000 0.447 640 L N 0.348 121.278 121.223 -0.489 0.000 2.275 640 L HA -0.013 4.328 4.340 0.001 0.000 0.215 640 L C 2.191 178.451 176.870 -1.017 0.000 1.119 640 L CA 1.313 55.748 54.840 -0.675 0.000 0.790 640 L CB -0.655 40.956 42.059 -0.747 0.000 0.919 640 L HN 0.481 nan 8.230 nan 0.000 0.443 641 G N -1.340 106.934 108.800 -0.877 0.000 3.189 641 G HA2 -0.053 3.908 3.960 0.001 0.000 0.225 641 G HA3 -0.053 3.908 3.960 0.001 0.000 0.225 641 G C 1.474 176.226 174.900 -0.247 0.000 1.159 641 G CA 0.567 45.332 45.100 -0.560 0.000 0.763 641 G HN 0.419 nan 8.290 nan 0.000 0.549 642 S N -0.679 114.884 115.700 -0.227 0.000 2.496 642 S HA 0.287 4.757 4.470 0.001 0.000 0.224 642 S C 2.015 176.568 174.600 -0.078 0.000 0.996 642 S CA 1.022 59.151 58.200 -0.119 0.000 0.927 642 S CB -0.121 63.026 63.200 -0.089 0.000 0.774 642 S HN 1.328 nan 8.310 nan 0.000 0.524 643 G N 1.491 110.234 108.800 -0.095 0.000 2.155 643 G HA2 -0.372 3.588 3.960 0.001 0.000 0.257 643 G HA3 -0.372 3.588 3.960 0.001 0.000 0.257 643 G C 1.068 175.954 174.900 -0.024 0.000 0.983 643 G CA 1.068 46.136 45.100 -0.053 0.000 0.676 643 G HN 1.298 nan 8.290 nan 0.000 0.528 644 S N -0.475 115.221 115.700 -0.006 0.000 2.400 644 S HA 0.231 4.701 4.470 0.001 0.000 0.232 644 S C 2.653 177.256 174.600 0.005 0.000 1.025 644 S CA 1.855 60.065 58.200 0.015 0.000 0.993 644 S CB -0.445 62.795 63.200 0.066 0.000 0.808 644 S HN 2.462 nan 8.310 nan 0.000 0.478 645 G N -0.259 108.552 108.800 0.018 0.000 2.184 645 G HA2 -0.280 3.681 3.960 0.001 0.000 0.264 645 G HA3 -0.280 3.681 3.960 0.001 0.000 0.264 645 G C 0.742 175.627 174.900 -0.025 0.000 0.975 645 G CA 0.416 45.518 45.100 0.003 0.000 0.642 645 G HN 0.753 nan 8.290 nan 0.000 0.536 646 V N -0.585 119.296 119.914 -0.055 0.000 2.591 646 V HA 0.279 4.400 4.120 0.001 0.000 0.249 646 V C 1.144 176.997 176.094 -0.403 0.000 1.053 646 V CA 1.403 63.526 62.300 -0.295 0.000 1.068 646 V CB -0.332 31.186 31.823 -0.508 0.000 0.689 646 V HN 0.313 nan 8.190 nan 0.000 0.462 647 F N -0.132 119.828 119.950 0.015 0.000 2.436 647 F HA 0.407 4.935 4.527 0.001 0.000 0.340 647 F C 1.095 176.936 175.800 0.068 0.000 1.113 647 F CA -0.546 57.491 58.000 0.061 0.000 1.022 647 F CB 1.540 40.576 39.000 0.060 0.000 1.128 647 F HN -0.267 nan 8.300 nan 0.000 0.466 648 K N 1.639 122.201 120.400 0.269 0.000 2.137 648 K HA 0.083 4.403 4.320 0.001 0.000 0.202 648 K C -0.047 176.685 176.600 0.219 0.000 1.052 648 K CA 0.949 57.358 56.287 0.204 0.000 0.961 648 K CB 0.245 32.866 32.500 0.201 0.000 0.741 648 K HN 0.799 nan 8.250 nan 0.000 0.452 649 c N -2.671 116.099 118.600 0.283 0.000 3.318 649 c HA 0.900 5.471 4.570 0.001 0.000 0.322 649 c C -0.264 174.056 174.090 0.384 0.000 1.398 649 c CA -0.573 55.949 56.329 0.320 0.000 1.339 649 c CB 1.142 43.766 42.510 0.190 0.000 1.668 649 c HN 0.364 nan 8.230 nan 0.000 0.462 650 G N 0.121 109.211 108.800 0.483 0.000 2.632 650 G HA2 0.693 4.654 3.960 0.001 0.000 0.292 650 G HA3 0.693 4.654 3.960 0.001 0.000 0.292 650 G C -1.996 173.126 174.900 0.370 0.000 1.465 650 G CA -0.702 44.647 45.100 0.415 0.000 0.824 650 G HN 1.010 nan 8.290 nan 0.000 0.509 651 I N 0.874 121.631 120.570 0.311 0.000 2.436 651 I HA 0.611 4.781 4.170 0.001 0.000 0.289 651 I C 0.270 176.507 176.117 0.200 0.000 1.010 651 I CA -0.928 60.440 61.300 0.114 0.000 1.098 651 I CB 2.180 40.224 38.000 0.073 0.000 1.266 651 I HN 0.645 nan 8.210 nan 0.000 0.434 652 A N 6.561 129.400 122.820 0.032 0.000 2.303 652 A HA 0.790 5.111 4.320 0.001 0.000 0.320 652 A C -0.664 176.840 177.584 -0.133 0.000 1.192 652 A CA -0.506 51.554 52.037 0.039 0.000 0.821 652 A CB 1.070 20.148 19.000 0.130 0.000 1.188 652 A HN 0.455 nan 8.150 nan 0.000 0.492 653 V N 2.073 121.860 119.914 -0.212 0.000 2.417 653 V HA 0.570 4.691 4.120 0.001 0.000 0.291 653 V C 0.951 176.673 176.094 -0.620 0.000 1.024 653 V CA 0.231 62.179 62.300 -0.585 0.000 0.861 653 V CB 0.870 31.988 31.823 -1.175 0.000 0.985 653 V HN 2.054 nan 8.190 nan 0.000 0.436 654 A N 5.557 127.983 122.820 -0.657 0.000 2.462 654 A HA -0.110 4.210 4.320 0.001 0.000 0.294 654 A C -1.730 175.729 177.584 -0.208 0.000 1.461 654 A CA 0.406 51.968 52.037 -0.791 0.000 0.765 654 A CB -1.577 17.085 19.000 -0.564 0.000 1.071 654 A HN 0.621 nan 8.150 nan 0.000 0.401 655 P HA 0.382 nan 4.420 nan 0.000 0.277 655 P C 0.296 177.578 177.300 -0.031 0.000 1.240 655 P CA -0.156 62.935 63.100 -0.015 0.000 0.798 655 P CB 1.133 32.839 31.700 0.009 0.000 0.979 656 V N 2.350 122.143 119.914 -0.201 0.000 2.715 656 V HA 0.057 4.178 4.120 0.001 0.000 0.299 656 V C 1.692 177.598 176.094 -0.314 0.000 1.054 656 V CA 1.187 63.216 62.300 -0.452 0.000 1.077 656 V CB 0.646 31.790 31.823 -1.132 0.000 0.972 656 V HN 0.856 nan 8.190 nan 0.000 0.484 657 S N 3.414 118.938 115.700 -0.294 0.000 2.631 657 S HA 0.312 4.783 4.470 0.001 0.000 0.246 657 S C 0.463 174.887 174.600 -0.293 0.000 1.068 657 S CA -0.400 57.705 58.200 -0.160 0.000 0.995 657 S CB 0.363 63.534 63.200 -0.048 0.000 0.944 657 S HN 0.704 nan 8.310 nan 0.000 0.529 658 R N -0.695 119.493 120.500 -0.520 0.000 2.523 658 R HA 0.317 4.657 4.340 0.001 0.000 0.278 658 R C -1.130 174.837 176.300 -0.556 0.000 1.150 658 R CA -0.614 55.136 56.100 -0.584 0.000 0.987 658 R CB 0.372 30.172 30.300 -0.833 0.000 1.232 658 R HN 0.251 nan 8.270 nan 0.000 0.424 659 W N 2.085 123.278 121.300 -0.178 0.000 2.392 659 W HA -0.054 4.607 4.660 0.001 0.000 0.279 659 W C 1.325 177.965 176.519 0.202 0.000 1.225 659 W CA 0.650 57.971 57.345 -0.041 0.000 1.233 659 W CB 0.341 29.668 29.460 -0.222 0.000 1.122 659 W HN 0.695 nan 8.180 nan 0.000 0.561 660 E N -0.911 119.477 120.200 0.313 0.000 2.333 660 E HA -0.204 4.147 4.350 0.001 0.000 0.198 660 E C 1.292 178.041 176.600 0.249 0.000 1.007 660 E CA 0.888 57.419 56.400 0.220 0.000 0.845 660 E CB -0.206 29.523 29.700 0.050 0.000 0.766 660 E HN 0.377 nan 8.360 nan 0.000 0.507 661 Y N -1.643 118.753 120.300 0.161 0.000 2.517 661 Y HA 0.059 4.609 4.550 0.001 0.000 0.281 661 Y C 0.681 176.693 175.900 0.187 0.000 1.125 661 Y CA -0.258 57.913 58.100 0.117 0.000 1.283 661 Y CB -0.451 38.022 38.460 0.022 0.000 1.042 661 Y HN 0.013 nan 8.280 nan 0.000 0.547 662 Y N 1.938 122.398 120.300 0.267 0.000 2.392 662 Y HA 0.295 4.845 4.550 0.001 0.000 0.323 662 Y C 0.332 176.442 175.900 0.350 0.000 1.291 662 Y CA -2.055 56.212 58.100 0.279 0.000 1.345 662 Y CB 0.402 39.055 38.460 0.322 0.000 1.320 662 Y HN 0.187 nan 8.280 nan 0.000 0.518 663 D N -0.595 119.521 120.400 -0.472 0.000 2.357 663 D HA 0.113 4.754 4.640 0.001 0.000 0.242 663 D C 0.890 177.156 176.300 -0.057 0.000 1.153 663 D CA 0.296 54.074 54.000 -0.371 0.000 0.918 663 D CB 0.987 41.330 40.800 -0.763 0.000 1.181 663 D HN 0.478 nan 8.370 nan 0.000 0.435 664 S N 1.030 116.707 115.700 -0.039 0.000 2.348 664 S HA -0.208 4.262 4.470 0.001 0.000 0.221 664 S C 1.931 176.547 174.600 0.026 0.000 1.033 664 S CA 1.157 59.389 58.200 0.054 0.000 1.010 664 S CB -1.016 62.225 63.200 0.069 0.000 0.891 664 S HN 0.431 nan 8.310 nan 0.000 0.442 665 V N 0.877 120.747 119.914 -0.073 0.000 2.287 665 V HA -0.182 3.939 4.120 0.001 0.000 0.248 665 V C 2.322 178.314 176.094 -0.170 0.000 1.053 665 V CA 2.243 64.403 62.300 -0.233 0.000 1.027 665 V CB -1.150 30.378 31.823 -0.490 0.000 0.646 665 V HN 0.583 nan 8.190 nan 0.000 0.447 666 Y N 1.393 121.621 120.300 -0.119 0.000 2.133 666 Y HA -0.232 4.319 4.550 0.001 0.000 0.287 666 Y C 2.725 178.597 175.900 -0.047 0.000 1.134 666 Y CA 2.348 60.451 58.100 0.006 0.000 1.133 666 Y CB -0.513 38.166 38.460 0.365 0.000 0.987 666 Y HN 0.232 nan 8.280 nan 0.000 0.502 667 T N 0.240 114.978 114.554 0.306 0.000 2.701 667 T HA -0.180 4.171 4.350 0.001 0.000 0.263 667 T C 1.542 176.202 174.700 -0.066 0.000 1.040 667 T CA 1.847 64.066 62.100 0.198 0.000 1.147 667 T CB -0.319 68.823 68.868 0.457 0.000 0.865 667 T HN 0.427 nan 8.240 nan 0.000 0.426 668 E N 0.711 120.907 120.200 -0.007 0.000 2.265 668 E HA -0.097 4.253 4.350 0.001 0.000 0.196 668 E C 2.323 178.793 176.600 -0.216 0.000 0.996 668 E CA 0.402 56.792 56.400 -0.018 0.000 0.832 668 E CB -0.128 29.608 29.700 0.060 0.000 0.756 668 E HN 0.339 nan 8.360 nan 0.000 0.491 669 R N 0.227 120.426 120.500 -0.503 0.000 2.103 669 R HA -0.202 4.139 4.340 0.001 0.000 0.242 669 R C 1.264 177.017 176.300 -0.911 0.000 1.142 669 R CA 1.666 57.260 56.100 -0.843 0.000 0.960 669 R CB -0.024 29.383 30.300 -1.488 0.000 0.858 669 R HN 0.246 nan 8.270 nan 0.000 0.439 670 Y N -2.103 117.848 120.300 -0.582 0.000 2.507 670 Y HA 0.211 4.761 4.550 0.001 0.000 0.263 670 Y C 1.733 177.427 175.900 -0.344 0.000 1.093 670 Y CA 0.086 57.830 58.100 -0.594 0.000 1.285 670 Y CB 0.452 38.425 38.460 -0.812 0.000 1.115 670 Y HN -0.029 nan 8.280 nan 0.000 0.533 671 M N -0.685 118.802 119.600 -0.188 0.000 2.331 671 M HA 0.357 4.838 4.480 0.001 0.000 0.266 671 M C 1.124 177.461 176.300 0.061 0.000 1.055 671 M CA 0.756 55.962 55.300 -0.155 0.000 1.048 671 M CB -0.176 32.153 32.600 -0.452 0.000 1.460 671 M HN 0.317 nan 8.290 nan 0.000 0.519 672 G N 2.074 110.909 108.800 0.060 0.000 2.601 672 G HA2 -0.260 3.701 3.960 0.001 0.000 0.261 672 G HA3 -0.260 3.701 3.960 0.001 0.000 0.261 672 G C -0.400 174.632 174.900 0.220 0.000 1.289 672 G CA -0.618 44.551 45.100 0.115 0.000 0.920 672 G HN 0.369 nan 8.290 nan 0.000 0.571 673 L N 1.827 123.134 121.223 0.140 0.000 2.334 673 L HA 0.437 4.778 4.340 0.001 0.000 0.277 673 L C -1.537 175.287 176.870 -0.077 0.000 1.075 673 L CA -1.782 53.083 54.840 0.042 0.000 0.804 673 L CB 1.882 43.943 42.059 0.003 0.000 1.174 673 L HN 0.420 nan 8.230 nan 0.000 0.438 674 P HA 0.093 nan 4.420 nan 0.000 0.220 674 P C -0.598 176.542 177.300 -0.267 0.000 1.806 674 P CA -0.167 62.512 63.100 -0.702 0.000 0.976 674 P CB -0.318 30.622 31.700 -1.266 0.000 1.952 675 T N -2.690 111.794 114.554 -0.117 0.000 2.908 675 T HA 0.492 4.843 4.350 0.001 0.000 0.290 675 T C -2.290 172.401 174.700 -0.015 0.000 1.034 675 T CA -2.537 59.529 62.100 -0.057 0.000 1.010 675 T CB 1.891 70.737 68.868 -0.037 0.000 1.068 675 T HN -0.289 nan 8.240 nan 0.000 0.481 676 P HA -0.065 nan 4.420 nan 0.000 0.218 676 P C 0.841 178.151 177.300 0.017 0.000 1.148 676 P CA 1.035 64.141 63.100 0.011 0.000 0.822 676 P CB 0.003 31.707 31.700 0.006 0.000 0.784 677 E N -1.341 118.865 120.200 0.010 0.000 2.418 677 E HA -0.093 4.258 4.350 0.001 0.000 0.197 677 E C 1.302 177.915 176.600 0.020 0.000 1.026 677 E CA 0.805 57.212 56.400 0.012 0.000 0.862 677 E CB -0.395 29.308 29.700 0.004 0.000 0.799 677 E HN 0.326 nan 8.360 nan 0.000 0.518 678 D N -0.655 119.762 120.400 0.029 0.000 3.051 678 D HA 0.081 4.722 4.640 0.001 0.000 0.216 678 D C 0.228 176.577 176.300 0.080 0.000 1.454 678 D CA 0.134 54.162 54.000 0.047 0.000 1.400 678 D CB 0.028 40.854 40.800 0.044 0.000 0.975 678 D HN -0.023 nan 8.370 nan 0.000 0.212 679 N N -0.198 118.577 118.700 0.125 0.000 2.232 679 N HA 0.103 4.844 4.740 0.001 0.000 0.240 679 N C 0.945 176.642 175.510 0.312 0.000 1.307 679 N CA -0.075 53.105 53.050 0.216 0.000 0.859 679 N CB 0.304 38.951 38.487 0.266 0.000 1.260 679 N HN 0.080 nan 8.380 nan 0.000 0.501 680 L N 0.731 122.050 121.223 0.160 0.000 2.013 680 L HA -0.154 4.187 4.340 0.001 0.000 0.212 680 L C 1.195 178.170 176.870 0.175 0.000 1.073 680 L CA 2.034 56.944 54.840 0.116 0.000 0.753 680 L CB -0.462 41.606 42.059 0.015 0.000 0.890 680 L HN 0.150 nan 8.230 nan 0.000 0.432 681 D N -1.655 118.829 120.400 0.140 0.000 2.133 681 D HA -0.257 4.383 4.640 0.001 0.000 0.195 681 D C 2.096 178.485 176.300 0.148 0.000 0.997 681 D CA 1.771 55.844 54.000 0.120 0.000 0.840 681 D CB -0.175 40.685 40.800 0.099 0.000 0.947 681 D HN 0.603 nan 8.370 nan 0.000 0.452 682 H N -1.114 118.024 119.070 0.114 0.000 2.436 682 H HA -0.023 4.533 4.556 0.001 0.000 0.294 682 H C 1.666 177.058 175.328 0.106 0.000 1.048 682 H CA 1.053 57.147 56.048 0.077 0.000 1.353 682 H CB -0.221 29.553 29.762 0.019 0.000 1.414 682 H HN 0.144 nan 8.280 nan 0.000 0.536 683 Y N 0.274 120.577 120.300 0.006 0.000 2.165 683 Y HA -0.211 4.339 4.550 0.001 0.000 0.286 683 Y C 2.344 178.211 175.900 -0.056 0.000 1.155 683 Y CA 1.483 59.587 58.100 0.007 0.000 1.164 683 Y CB 0.135 38.626 38.460 0.051 0.000 0.978 683 Y HN 0.144 nan 8.280 nan 0.000 0.513 684 R N -0.284 120.281 120.500 0.108 0.000 2.153 684 R HA -0.006 4.335 4.340 0.001 0.000 0.218 684 R C 1.052 177.337 176.300 -0.025 0.000 1.072 684 R CA 0.814 56.933 56.100 0.032 0.000 0.990 684 R CB -0.592 29.731 30.300 0.038 0.000 0.889 684 R HN 0.487 nan 8.270 nan 0.000 0.452 685 N N 0.747 119.408 118.700 -0.065 0.000 2.336 685 N HA -0.022 4.718 4.740 0.001 0.000 0.189 685 N C 0.280 175.710 175.510 -0.133 0.000 1.113 685 N CA 0.303 53.307 53.050 -0.076 0.000 0.858 685 N CB 0.476 38.946 38.487 -0.030 0.000 0.970 685 N HN 0.104 nan 8.380 nan 0.000 0.471 686 S N -0.223 115.356 115.700 -0.201 0.000 2.588 686 S HA 0.054 4.524 4.470 0.001 0.000 0.245 686 S C 0.562 175.185 174.600 0.038 0.000 1.021 686 S CA -0.740 57.392 58.200 -0.113 0.000 1.006 686 S CB -0.174 62.882 63.200 -0.241 0.000 0.830 686 S HN 0.138 nan 8.310 nan 0.000 0.468 687 T N -1.477 113.060 114.554 -0.028 0.000 2.922 687 T HA 0.525 4.875 4.350 0.001 0.000 0.285 687 T C 1.333 176.009 174.700 -0.039 0.000 1.005 687 T CA -0.621 61.452 62.100 -0.045 0.000 1.061 687 T CB 1.387 70.199 68.868 -0.093 0.000 1.007 687 T HN -0.035 nan 8.240 nan 0.000 0.502 688 V N 2.252 122.138 119.914 -0.045 0.000 2.358 688 V HA -0.147 3.973 4.120 0.001 0.000 0.246 688 V C 2.669 178.719 176.094 -0.072 0.000 1.047 688 V CA 1.800 64.062 62.300 -0.063 0.000 1.035 688 V CB -0.979 30.801 31.823 -0.072 0.000 0.658 688 V HN 0.845 nan 8.190 nan 0.000 0.452 689 M N 1.273 120.819 119.600 -0.090 0.000 2.106 689 M HA -0.193 4.288 4.480 0.001 0.000 0.259 689 M C 2.350 178.612 176.300 -0.063 0.000 1.068 689 M CA 2.291 57.534 55.300 -0.094 0.000 1.100 689 M CB -0.989 31.569 32.600 -0.071 0.000 1.351 689 M HN 0.549 nan 8.290 nan 0.000 0.404 690 S N -0.340 115.335 115.700 -0.043 0.000 2.469 690 S HA -0.097 4.374 4.470 0.001 0.000 0.238 690 S C 1.790 176.386 174.600 -0.007 0.000 0.998 690 S CA 0.798 58.984 58.200 -0.024 0.000 0.957 690 S CB -0.483 62.702 63.200 -0.024 0.000 0.764 690 S HN 0.543 nan 8.310 nan 0.000 0.514 691 R N 0.485 120.990 120.500 0.008 0.000 2.359 691 R HA 0.437 4.777 4.340 0.001 0.000 0.231 691 R C 2.252 178.636 176.300 0.141 0.000 0.913 691 R CA 0.429 56.561 56.100 0.055 0.000 1.075 691 R CB -0.273 30.059 30.300 0.054 0.000 1.087 691 R HN 0.485 nan 8.270 nan 0.000 0.515 692 A N 1.688 124.541 122.820 0.055 0.000 1.903 692 A HA -0.297 4.024 4.320 0.001 0.000 0.219 692 A C 2.010 179.664 177.584 0.116 0.000 1.191 692 A CA 1.932 53.968 52.037 -0.001 0.000 0.638 692 A CB -0.320 18.617 19.000 -0.105 0.000 0.823 692 A HN 0.288 nan 8.150 nan 0.000 0.451 693 E N 0.216 120.462 120.200 0.078 0.000 2.118 693 E HA -0.193 4.158 4.350 0.001 0.000 0.195 693 E C 1.602 178.257 176.600 0.093 0.000 0.992 693 E CA 1.705 58.149 56.400 0.073 0.000 0.804 693 E CB -0.411 29.314 29.700 0.042 0.000 0.741 693 E HN 0.805 nan 8.360 nan 0.000 0.458 694 N N -1.197 117.558 118.700 0.091 0.000 2.550 694 N HA -0.064 4.677 4.740 0.001 0.000 0.186 694 N C 0.666 176.154 175.510 -0.036 0.000 1.110 694 N CA 0.137 53.195 53.050 0.014 0.000 0.912 694 N CB -0.046 38.409 38.487 -0.053 0.000 0.968 694 N HN 0.158 nan 8.380 nan 0.000 0.448 695 F N 1.155 121.058 119.950 -0.080 0.000 2.661 695 F HA 0.045 4.573 4.527 0.001 0.000 0.298 695 F C 2.183 177.984 175.800 0.001 0.000 1.137 695 F CA 0.464 58.413 58.000 -0.084 0.000 1.454 695 F CB 0.107 39.009 39.000 -0.163 0.000 1.103 695 F HN -0.059 nan 8.300 nan 0.000 0.577 696 K N 0.438 120.933 120.400 0.159 0.000 2.211 696 K HA -0.199 4.121 4.320 0.001 0.000 0.204 696 K C 1.280 177.941 176.600 0.102 0.000 1.047 696 K CA 1.333 57.695 56.287 0.125 0.000 0.935 696 K CB -0.040 32.512 32.500 0.087 0.000 0.728 696 K HN 0.358 nan 8.250 nan 0.000 0.452 697 Q N 0.432 120.274 119.800 0.070 0.000 2.188 697 Q HA 0.081 4.422 4.340 0.001 0.000 0.212 697 Q C -0.498 175.542 176.000 0.068 0.000 0.846 697 Q CA -0.248 55.590 55.803 0.058 0.000 0.989 697 Q CB 1.293 30.050 28.738 0.032 0.000 1.114 697 Q HN 0.132 nan 8.270 nan 0.000 0.488 698 V N -3.134 116.835 119.914 0.092 0.000 3.001 698 V HA 0.542 4.663 4.120 0.001 0.000 0.314 698 V C -0.892 175.343 176.094 0.235 0.000 1.099 698 V CA -1.140 61.237 62.300 0.128 0.000 0.989 698 V CB 2.318 34.165 31.823 0.041 0.000 1.040 698 V HN 0.013 nan 8.190 nan 0.000 0.434 699 E N 1.758 122.130 120.200 0.287 0.000 2.174 699 E HA 0.487 4.838 4.350 0.001 0.000 0.282 699 E C -1.869 175.124 176.600 0.655 0.000 0.992 699 E CA -0.408 56.249 56.400 0.427 0.000 0.803 699 E CB 1.879 31.764 29.700 0.308 0.000 1.090 699 E HN 0.708 nan 8.360 nan 0.000 0.396 700 Y N 3.266 123.840 120.300 0.456 0.000 2.373 700 Y HA 0.415 4.965 4.550 0.001 0.000 0.336 700 Y C -1.801 174.145 175.900 0.077 0.000 0.979 700 Y CA -1.449 56.833 58.100 0.304 0.000 1.080 700 Y CB 1.081 39.770 38.460 0.382 0.000 1.190 700 Y HN 0.422 nan 8.280 nan 0.000 0.446 701 L N 7.735 128.609 121.223 -0.581 0.000 2.325 701 L HA 0.639 4.979 4.340 0.001 0.000 0.281 701 L C -2.127 174.289 176.870 -0.758 0.000 1.004 701 L CA -0.820 53.566 54.840 -0.756 0.000 0.823 701 L CB 1.318 42.642 42.059 -1.226 0.000 1.236 701 L HN 0.634 nan 8.230 nan 0.000 0.415 702 L N 6.791 127.666 121.223 -0.580 0.000 2.305 702 L HA 0.698 5.039 4.340 0.001 0.000 0.284 702 L C -1.183 175.564 176.870 -0.204 0.000 1.013 702 L CA -0.068 54.486 54.840 -0.476 0.000 0.819 702 L CB 1.185 42.972 42.059 -0.453 0.000 1.227 702 L HN 0.581 nan 8.230 nan 0.000 0.417 703 I N 4.513 124.975 120.570 -0.180 0.000 2.582 703 I HA 0.460 4.631 4.170 0.001 0.000 0.292 703 I C -1.203 174.899 176.117 -0.025 0.000 1.066 703 I CA -0.711 60.533 61.300 -0.092 0.000 1.053 703 I CB 2.075 39.981 38.000 -0.156 0.000 1.241 703 I HN 0.683 nan 8.210 nan 0.000 0.421 704 H N 2.241 121.362 119.070 0.085 0.000 3.086 704 H HA 0.474 5.031 4.556 0.001 0.000 0.353 704 H C -0.300 175.270 175.328 0.403 0.000 1.134 704 H CA -0.547 55.610 56.048 0.181 0.000 1.248 704 H CB 2.056 31.861 29.762 0.073 0.000 1.878 704 H HN 0.758 nan 8.280 nan 0.000 0.527 705 G N 0.985 110.126 108.800 0.567 0.000 2.403 705 G HA2 0.193 4.153 3.960 0.001 0.000 0.259 705 G HA3 0.193 4.153 3.960 0.001 0.000 0.259 705 G C 1.158 176.353 174.900 0.491 0.000 1.244 705 G CA 0.153 45.557 45.100 0.506 0.000 0.849 705 G HN 0.759 nan 8.290 nan 0.000 0.532 706 T N -0.630 114.064 114.554 0.233 0.000 2.962 706 T HA 0.056 4.406 4.350 0.001 0.000 0.270 706 T C 1.723 176.418 174.700 -0.008 0.000 1.088 706 T CA 1.313 63.364 62.100 -0.082 0.000 1.127 706 T CB 0.136 68.885 68.868 -0.197 0.000 0.883 706 T HN 0.695 nan 8.240 nan 0.000 0.493 707 A N 0.997 123.883 122.820 0.111 0.000 2.577 707 A HA 0.311 4.632 4.320 0.001 0.000 0.280 707 A C 0.399 177.967 177.584 -0.026 0.000 1.331 707 A CA -0.509 51.565 52.037 0.062 0.000 0.935 707 A CB -0.307 18.995 19.000 0.502 0.000 1.082 707 A HN 0.368 nan 8.150 nan 0.000 0.525 708 D N 1.601 122.018 120.400 0.029 0.000 2.363 708 D HA -0.015 4.626 4.640 0.001 0.000 0.263 708 D C 0.425 176.699 176.300 -0.044 0.000 1.258 708 D CA 0.203 54.305 54.000 0.169 0.000 0.907 708 D CB 0.660 41.719 40.800 0.433 0.000 1.107 708 D HN 0.580 nan 8.370 nan 0.000 0.495 709 D N 2.300 122.731 120.400 0.051 0.000 2.348 709 D HA -0.131 4.510 4.640 0.001 0.000 0.211 709 D C 0.941 177.254 176.300 0.023 0.000 0.998 709 D CA -0.096 53.900 54.000 -0.007 0.000 0.873 709 D CB 0.454 41.221 40.800 -0.054 0.000 0.925 709 D HN 0.221 nan 8.370 nan 0.000 0.524 710 N N 0.920 119.711 118.700 0.151 0.000 2.335 710 N HA -0.047 4.694 4.740 0.001 0.000 0.197 710 N C -0.017 175.444 175.510 -0.082 0.000 1.045 710 N CA 0.520 53.698 53.050 0.213 0.000 0.928 710 N CB 0.441 39.036 38.487 0.180 0.000 1.118 710 N HN -0.103 nan 8.380 nan 0.000 0.471 711 V N 3.991 123.866 119.914 -0.065 0.000 2.320 711 V HA 0.192 4.313 4.120 0.001 0.000 0.265 711 V C -0.549 175.598 176.094 0.090 0.000 1.048 711 V CA -0.677 61.625 62.300 0.003 0.000 0.865 711 V CB 0.029 31.919 31.823 0.110 0.000 1.043 711 V HN 0.302 nan 8.190 nan 0.000 0.474 712 H N 3.521 122.577 119.070 -0.023 0.000 2.972 712 H HA 0.002 4.559 4.556 0.001 0.000 0.343 712 H C 0.890 176.079 175.328 -0.232 0.000 1.054 712 H CA -0.216 55.737 56.048 -0.159 0.000 1.412 712 H CB 0.501 30.090 29.762 -0.288 0.000 1.385 712 H HN 0.627 nan 8.280 nan 0.000 0.600 713 F N 2.142 121.895 119.950 -0.327 0.000 2.147 713 F HA -0.337 4.191 4.527 0.001 0.000 0.301 713 F C 2.617 178.143 175.800 -0.456 0.000 1.084 713 F CA 2.122 59.735 58.000 -0.644 0.000 1.268 713 F CB -0.094 38.712 39.000 -0.325 0.000 1.009 713 F HN 0.690 nan 8.300 nan 0.000 0.486 714 Q N 0.122 119.805 119.800 -0.195 0.000 2.165 714 Q HA -0.377 3.963 4.340 0.001 0.000 0.215 714 Q C 2.130 177.904 176.000 -0.375 0.000 1.010 714 Q CA 2.721 58.347 55.803 -0.295 0.000 0.896 714 Q CB -0.448 28.077 28.738 -0.354 0.000 0.956 714 Q HN 0.615 nan 8.270 nan 0.000 0.413 715 Q N -0.437 119.186 119.800 -0.294 0.000 2.061 715 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 715 Q C 2.316 178.220 176.000 -0.160 0.000 0.984 715 Q CA 1.824 57.576 55.803 -0.086 0.000 0.846 715 Q CB -0.205 28.552 28.738 0.031 0.000 0.902 715 Q HN 0.352 nan 8.270 nan 0.000 0.421 716 S N 0.730 116.222 115.700 -0.346 0.000 2.406 716 S HA -0.036 4.435 4.470 0.001 0.000 0.228 716 S C 2.049 176.389 174.600 -0.435 0.000 1.020 716 S CA 0.773 58.756 58.200 -0.363 0.000 0.965 716 S CB -0.140 62.816 63.200 -0.407 0.000 0.798 716 S HN 0.478 nan 8.310 nan 0.000 0.488 717 A N 1.318 123.795 122.820 -0.572 0.000 1.933 717 A HA -0.130 4.191 4.320 0.001 0.000 0.218 717 A C 2.135 179.617 177.584 -0.171 0.000 1.175 717 A CA 1.122 52.962 52.037 -0.328 0.000 0.628 717 A CB -0.377 18.500 19.000 -0.205 0.000 0.814 717 A HN 0.370 nan 8.150 nan 0.000 0.444 718 Q N -0.458 119.252 119.800 -0.150 0.000 2.137 718 Q HA 0.006 4.347 4.340 0.001 0.000 0.198 718 Q C 2.142 178.087 176.000 -0.091 0.000 0.960 718 Q CA 0.946 56.713 55.803 -0.060 0.000 0.847 718 Q CB -0.322 28.458 28.738 0.070 0.000 0.915 718 Q HN 0.778 nan 8.270 nan 0.000 0.448 719 I N 1.302 121.789 120.570 -0.138 0.000 2.127 719 I HA -0.317 3.854 4.170 0.001 0.000 0.241 719 I C 2.573 178.515 176.117 -0.292 0.000 1.075 719 I CA 1.688 62.857 61.300 -0.218 0.000 1.334 719 I CB -0.533 37.340 38.000 -0.211 0.000 1.040 719 I HN 0.193 nan 8.210 nan 0.000 0.405 720 S N 0.759 116.311 115.700 -0.246 0.000 2.382 720 S HA -0.257 4.214 4.470 0.001 0.000 0.228 720 S C 2.020 176.584 174.600 -0.060 0.000 1.027 720 S CA 1.366 59.446 58.200 -0.199 0.000 0.991 720 S CB -0.420 62.831 63.200 0.084 0.000 0.823 720 S HN 0.380 nan 8.310 nan 0.000 0.469 721 K N 1.785 122.156 120.400 -0.049 0.000 2.026 721 K HA 0.012 4.333 4.320 0.001 0.000 0.208 721 K C 2.321 178.899 176.600 -0.038 0.000 1.048 721 K CA 1.204 57.481 56.287 -0.017 0.000 0.929 721 K CB -0.732 31.757 32.500 -0.018 0.000 0.713 721 K HN 0.433 nan 8.250 nan 0.000 0.439 722 A N 1.104 123.872 122.820 -0.087 0.000 1.908 722 A HA -0.139 4.182 4.320 0.001 0.000 0.218 722 A C 2.117 179.633 177.584 -0.113 0.000 1.181 722 A CA 1.506 53.484 52.037 -0.098 0.000 0.627 722 A CB -0.661 18.261 19.000 -0.129 0.000 0.818 722 A HN 0.331 nan 8.150 nan 0.000 0.445 723 L N -0.697 120.410 121.223 -0.193 0.000 2.056 723 L HA -0.145 4.196 4.340 0.001 0.000 0.207 723 L C 2.523 179.411 176.870 0.030 0.000 1.078 723 L CA 1.003 55.744 54.840 -0.165 0.000 0.749 723 L CB -0.695 41.113 42.059 -0.420 0.000 0.901 723 L HN 0.229 nan 8.230 nan 0.000 0.433 724 V N 0.016 119.986 119.914 0.095 0.000 2.282 724 V HA -0.330 3.791 4.120 0.001 0.000 0.249 724 V C 2.117 178.247 176.094 0.060 0.000 1.057 724 V CA 2.052 64.423 62.300 0.119 0.000 1.032 724 V CB -0.560 31.335 31.823 0.120 0.000 0.645 724 V HN 0.445 nan 8.190 nan 0.000 0.447 725 D N 0.173 120.589 120.400 0.028 0.000 2.178 725 D HA -0.111 4.529 4.640 0.001 0.000 0.201 725 D C 1.827 178.138 176.300 0.019 0.000 0.980 725 D CA 1.725 55.735 54.000 0.017 0.000 0.842 725 D CB -0.153 40.648 40.800 0.002 0.000 0.948 725 D HN 0.564 nan 8.370 nan 0.000 0.472 726 V N -3.567 116.359 119.914 0.019 0.000 3.596 726 V HA 0.475 4.596 4.120 0.001 0.000 0.289 726 V C 1.212 177.334 176.094 0.046 0.000 1.336 726 V CA 0.328 62.644 62.300 0.027 0.000 1.137 726 V CB -0.159 31.677 31.823 0.021 0.000 0.966 726 V HN 0.157 nan 8.190 nan 0.000 0.428 727 G N 0.420 109.255 108.800 0.058 0.000 2.256 727 G HA2 -0.175 3.786 3.960 0.001 0.000 0.272 727 G HA3 -0.175 3.786 3.960 0.001 0.000 0.272 727 G C -0.154 174.805 174.900 0.097 0.000 1.076 727 G CA 0.171 45.314 45.100 0.072 0.000 0.882 727 G HN 0.855 nan 8.290 nan 0.000 0.497 728 V N 0.493 120.484 119.914 0.129 0.000 2.370 728 V HA 0.450 4.571 4.120 0.001 0.000 0.283 728 V C 0.379 176.645 176.094 0.288 0.000 1.023 728 V CA -0.624 61.784 62.300 0.179 0.000 0.857 728 V CB 1.738 33.656 31.823 0.157 0.000 0.985 728 V HN 0.447 nan 8.190 nan 0.000 0.443 729 D N 4.216 124.763 120.400 0.244 0.000 2.345 729 D HA 0.548 5.189 4.640 0.001 0.000 0.247 729 D C -0.509 176.015 176.300 0.373 0.000 1.108 729 D CA 0.253 54.385 54.000 0.220 0.000 0.894 729 D CB 0.669 41.540 40.800 0.118 0.000 1.203 729 D HN 0.379 nan 8.370 nan 0.000 0.430 730 F N -0.105 119.919 119.950 0.124 0.000 2.779 730 F HA 0.504 5.031 4.527 0.001 0.000 0.316 730 F C -1.472 174.378 175.800 0.083 0.000 1.164 730 F CA -1.169 56.925 58.000 0.156 0.000 0.924 730 F CB 0.877 40.002 39.000 0.209 0.000 1.348 730 F HN 0.035 nan 8.300 nan 0.000 0.467 731 Q N 1.466 121.328 119.800 0.103 0.000 2.274 731 Q HA 0.786 5.126 4.340 0.001 0.000 0.260 731 Q C -0.903 175.081 176.000 -0.027 0.000 0.974 731 Q CA -0.785 54.990 55.803 -0.046 0.000 0.876 731 Q CB 1.945 30.683 28.738 0.001 0.000 1.297 731 Q HN 1.005 nan 8.270 nan 0.000 0.446 732 A N 2.035 124.810 122.820 -0.075 0.000 2.498 732 A HA 0.855 5.176 4.320 0.001 0.000 0.298 732 A C -1.203 176.321 177.584 -0.099 0.000 1.075 732 A CA -0.604 51.427 52.037 -0.009 0.000 0.714 732 A CB 1.806 20.861 19.000 0.091 0.000 1.299 732 A HN 0.625 nan 8.150 nan 0.000 0.407 733 M N 1.901 121.423 119.600 -0.129 0.000 2.238 733 M HA 0.572 5.053 4.480 0.001 0.000 0.278 733 M C -1.772 174.399 176.300 -0.216 0.000 1.040 733 M CA -0.579 54.498 55.300 -0.372 0.000 0.969 733 M CB 1.146 33.416 32.600 -0.551 0.000 1.694 733 M HN 0.875 nan 8.290 nan 0.000 0.472 734 W N 4.367 125.524 121.300 -0.239 0.000 2.448 734 W HA 0.742 5.403 4.660 0.001 0.000 0.339 734 W C -1.943 174.309 176.519 -0.445 0.000 1.124 734 W CA -0.791 56.485 57.345 -0.115 0.000 1.262 734 W CB 0.273 29.720 29.460 -0.022 0.000 1.251 734 W HN 0.615 nan 8.180 nan 0.000 0.597 735 Y N 2.446 122.866 120.300 0.201 0.000 2.388 735 Y HA 0.290 4.841 4.550 0.001 0.000 0.328 735 Y C 0.494 176.504 175.900 0.184 0.000 0.963 735 Y CA -1.008 57.138 58.100 0.077 0.000 1.240 735 Y CB 1.513 39.999 38.460 0.043 0.000 1.118 735 Y HN 0.397 nan 8.280 nan 0.000 0.484 736 T N 4.604 119.325 114.554 0.279 0.000 2.829 736 T HA 0.002 4.353 4.350 0.001 0.000 0.293 736 T C 0.080 174.853 174.700 0.121 0.000 0.970 736 T CA 0.522 62.734 62.100 0.187 0.000 1.168 736 T CB -0.132 68.785 68.868 0.082 0.000 0.911 736 T HN 0.723 nan 8.240 nan 0.000 0.535 737 D N 0.926 121.380 120.400 0.089 0.000 3.077 737 D HA -0.116 4.525 4.640 0.001 0.000 0.212 737 D C 0.188 176.621 176.300 0.221 0.000 1.125 737 D CA 1.022 55.013 54.000 -0.015 0.000 0.970 737 D CB -0.427 40.142 40.800 -0.386 0.000 1.110 737 D HN 0.532 nan 8.370 nan 0.000 0.419 738 E N 1.027 121.378 120.200 0.252 0.000 2.313 738 E HA 0.326 4.676 4.350 0.001 0.000 0.272 738 E C 0.790 177.583 176.600 0.322 0.000 1.038 738 E CA -0.259 56.311 56.400 0.283 0.000 0.863 738 E CB 1.186 31.044 29.700 0.263 0.000 1.060 738 E HN 0.348 nan 8.360 nan 0.000 0.402 739 D N -0.024 120.578 120.400 0.336 0.000 2.481 739 D HA -0.018 4.623 4.640 0.001 0.000 0.283 739 D C 1.088 177.628 176.300 0.399 0.000 1.192 739 D CA -0.085 54.136 54.000 0.368 0.000 1.100 739 D CB -0.189 40.852 40.800 0.402 0.000 1.166 739 D HN 0.415 nan 8.370 nan 0.000 0.584 740 H N -1.635 117.625 119.070 0.318 0.000 2.457 740 H HA 0.138 4.695 4.556 0.001 0.000 0.294 740 H C 1.919 177.506 175.328 0.432 0.000 1.064 740 H CA 1.998 58.256 56.048 0.351 0.000 1.330 740 H CB -0.367 29.585 29.762 0.317 0.000 1.395 740 H HN 0.480 nan 8.280 nan 0.000 0.541 741 G N -0.169 108.813 108.800 0.303 0.000 2.623 741 G HA2 -0.010 3.951 3.960 0.001 0.000 0.214 741 G HA3 -0.010 3.951 3.960 0.001 0.000 0.214 741 G C 0.617 175.691 174.900 0.290 0.000 1.138 741 G CA 0.299 45.495 45.100 0.162 0.000 0.794 741 G HN 0.513 nan 8.290 nan 0.000 0.535 742 I N 0.065 120.842 120.570 0.346 0.000 5.071 742 I HA -0.323 3.848 4.170 0.001 0.000 0.126 742 I C 1.412 177.664 176.117 0.225 0.000 1.290 742 I CA 0.170 61.631 61.300 0.269 0.000 2.644 742 I CB -1.185 36.957 38.000 0.236 0.000 2.208 742 I HN 0.256 nan 8.210 nan 0.000 0.322 743 A N 1.466 124.387 122.820 0.169 0.000 2.469 743 A HA 0.296 4.617 4.320 0.001 0.000 0.245 743 A C 1.120 178.749 177.584 0.075 0.000 1.221 743 A CA 0.547 52.645 52.037 0.103 0.000 0.946 743 A CB 0.255 19.285 19.000 0.049 0.000 1.049 743 A HN 0.652 nan 8.150 nan 0.000 0.529 744 S N -0.086 115.677 115.700 0.104 0.000 2.563 744 S HA 0.130 4.601 4.470 0.001 0.000 0.284 744 S C 1.244 175.895 174.600 0.085 0.000 1.331 744 S CA 0.446 58.700 58.200 0.089 0.000 1.047 744 S CB 1.041 64.302 63.200 0.102 0.000 0.859 744 S HN 0.575 nan 8.310 nan 0.000 0.514 745 S N 2.190 117.927 115.700 0.062 0.000 2.359 745 S HA -0.180 4.290 4.470 0.001 0.000 0.224 745 S C 2.085 176.741 174.600 0.093 0.000 1.035 745 S CA 2.244 60.482 58.200 0.063 0.000 1.018 745 S CB -1.589 61.631 63.200 0.034 0.000 0.876 745 S HN 1.061 nan 8.310 nan 0.000 0.448 746 T N -0.238 114.361 114.554 0.075 0.000 2.777 746 T HA 0.180 4.531 4.350 0.001 0.000 0.266 746 T C 2.005 176.753 174.700 0.081 0.000 1.040 746 T CA 1.278 63.423 62.100 0.075 0.000 1.141 746 T CB -0.962 67.941 68.868 0.058 0.000 0.868 746 T HN 0.465 nan 8.240 nan 0.000 0.444 747 A N 1.390 124.238 122.820 0.046 0.000 1.930 747 A HA -0.085 4.235 4.320 0.001 0.000 0.217 747 A C 2.194 179.718 177.584 -0.101 0.000 1.175 747 A CA 1.996 53.983 52.037 -0.083 0.000 0.627 747 A CB -1.208 17.711 19.000 -0.135 0.000 0.815 747 A HN 0.781 nan 8.150 nan 0.000 0.443 748 H N -0.180 118.870 119.070 -0.033 0.000 2.321 748 H HA -0.119 4.438 4.556 0.001 0.000 0.300 748 H C 2.102 177.499 175.328 0.115 0.000 1.087 748 H CA 2.262 58.352 56.048 0.070 0.000 1.319 748 H CB -0.177 29.628 29.762 0.071 0.000 1.379 748 H HN 0.576 nan 8.280 nan 0.000 0.501 749 Q N -0.921 118.888 119.800 0.016 0.000 2.124 749 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 749 Q C 2.170 178.161 176.000 -0.014 0.000 0.977 749 Q CA 1.334 57.111 55.803 -0.043 0.000 0.850 749 Q CB -0.175 28.571 28.738 0.013 0.000 0.901 749 Q HN 0.640 nan 8.270 nan 0.000 0.429 750 H N 0.799 119.841 119.070 -0.047 0.000 2.326 750 H HA -0.069 4.488 4.556 0.001 0.000 0.301 750 H C 2.090 177.412 175.328 -0.010 0.000 1.081 750 H CA 1.326 57.378 56.048 0.008 0.000 1.334 750 H CB -0.051 29.766 29.762 0.091 0.000 1.385 750 H HN 0.263 nan 8.280 nan 0.000 0.504 751 I N 0.293 120.828 120.570 -0.058 0.000 2.163 751 I HA -0.356 3.815 4.170 0.001 0.000 0.243 751 I C 1.833 177.719 176.117 -0.386 0.000 1.085 751 I CA 1.479 62.654 61.300 -0.209 0.000 1.347 751 I CB -0.271 37.440 38.000 -0.482 0.000 1.044 751 I HN 0.183 nan 8.210 nan 0.000 0.408 752 Y N 0.850 120.939 120.300 -0.352 0.000 2.293 752 Y HA -0.192 4.358 4.550 0.001 0.000 0.291 752 Y C 2.700 178.403 175.900 -0.329 0.000 1.137 752 Y CA 1.752 59.541 58.100 -0.518 0.000 1.202 752 Y CB -0.847 37.305 38.460 -0.513 0.000 0.990 752 Y HN 0.168 nan 8.280 nan 0.000 0.537 753 T N -1.548 112.928 114.554 -0.130 0.000 2.708 753 T HA -0.255 4.096 4.350 0.001 0.000 0.266 753 T C 1.566 176.124 174.700 -0.238 0.000 1.037 753 T CA 1.989 63.965 62.100 -0.205 0.000 1.146 753 T CB -0.508 68.249 68.868 -0.185 0.000 0.865 753 T HN 0.412 nan 8.240 nan 0.000 0.435 754 H N 0.724 119.661 119.070 -0.221 0.000 2.353 754 H HA 0.120 4.677 4.556 0.001 0.000 0.300 754 H C 2.163 177.474 175.328 -0.029 0.000 1.090 754 H CA 1.483 57.480 56.048 -0.086 0.000 1.327 754 H CB -0.233 29.467 29.762 -0.103 0.000 1.383 754 H HN 0.262 nan 8.280 nan 0.000 0.508 755 M N -0.975 118.561 119.600 -0.107 0.000 2.175 755 M HA -0.134 4.346 4.480 0.001 0.000 0.264 755 M C 2.385 178.801 176.300 0.193 0.000 1.063 755 M CA 1.282 56.526 55.300 -0.094 0.000 1.119 755 M CB 0.079 32.361 32.600 -0.531 0.000 1.377 755 M HN 0.191 nan 8.290 nan 0.000 0.415 756 S N -0.474 115.356 115.700 0.217 0.000 2.356 756 S HA -0.156 4.315 4.470 0.001 0.000 0.223 756 S C 1.701 176.389 174.600 0.147 0.000 1.032 756 S CA 1.068 59.476 58.200 0.347 0.000 1.005 756 S CB -0.609 62.779 63.200 0.314 0.000 0.867 756 S HN 0.463 nan 8.310 nan 0.000 0.449 757 H N 0.021 119.151 119.070 0.099 0.000 2.352 757 H HA -0.074 4.482 4.556 0.001 0.000 0.299 757 H C 1.991 177.314 175.328 -0.008 0.000 1.097 757 H CA 1.399 57.456 56.048 0.016 0.000 1.311 757 H CB -0.830 28.894 29.762 -0.063 0.000 1.377 757 H HN 0.432 nan 8.280 nan 0.000 0.504 758 F N 1.285 121.220 119.950 -0.025 0.000 2.095 758 F HA -0.197 4.331 4.527 0.001 0.000 0.298 758 F C 2.330 178.082 175.800 -0.080 0.000 1.104 758 F CA 0.943 58.898 58.000 -0.075 0.000 1.232 758 F CB -0.312 38.623 39.000 -0.109 0.000 0.987 758 F HN -0.041 nan 8.300 nan 0.000 0.475 759 I N 0.651 121.219 120.570 -0.003 0.000 2.179 759 I HA -0.276 3.895 4.170 0.001 0.000 0.242 759 I C 2.263 178.168 176.117 -0.353 0.000 1.088 759 I CA 1.525 62.662 61.300 -0.272 0.000 1.357 759 I CB -1.341 36.588 38.000 -0.119 0.000 1.051 759 I HN 0.215 nan 8.210 nan 0.000 0.409 760 K N 0.143 120.487 120.400 -0.092 0.000 2.057 760 K HA -0.221 4.100 4.320 0.001 0.000 0.207 760 K C 2.109 178.695 176.600 -0.024 0.000 1.049 760 K CA 1.117 57.407 56.287 0.005 0.000 0.931 760 K CB -0.279 32.278 32.500 0.094 0.000 0.714 760 K HN 0.300 nan 8.250 nan 0.000 0.440 761 Q N 1.431 121.180 119.800 -0.084 0.000 2.045 761 Q HA -0.255 4.085 4.340 0.001 0.000 0.206 761 Q C 2.307 178.207 176.000 -0.167 0.000 0.991 761 Q CA 2.114 57.845 55.803 -0.121 0.000 0.851 761 Q CB -0.838 27.800 28.738 -0.166 0.000 0.911 761 Q HN 0.438 nan 8.270 nan 0.000 0.418 762 c N 0.229 118.620 118.600 -0.349 0.000 2.403 762 c HA -0.134 4.437 4.570 0.001 0.000 0.277 762 c C 2.302 176.404 174.090 0.020 0.000 1.248 762 c CA 0.721 56.863 56.329 -0.312 0.000 1.762 762 c CB -1.429 40.728 42.510 -0.587 0.000 2.014 762 c HN 0.564 nan 8.230 nan 0.000 0.486 763 F N 1.575 121.487 119.950 -0.062 0.000 2.765 763 F HA 0.243 4.770 4.527 0.001 0.000 0.302 763 F C 1.662 177.449 175.800 -0.023 0.000 1.111 763 F CA 0.467 58.452 58.000 -0.026 0.000 1.359 763 F CB -1.181 37.814 39.000 -0.009 0.000 1.097 763 F HN 0.253 nan 8.300 nan 0.000 0.577 764 S N 0.757 116.539 115.700 0.138 0.000 3.641 764 S HA -0.201 4.270 4.470 0.001 0.000 0.346 764 S C -0.006 174.637 174.600 0.072 0.000 1.074 764 S CA 0.105 58.349 58.200 0.072 0.000 1.026 764 S CB -2.207 61.024 63.200 0.052 0.000 0.908 764 S HN 0.237 nan 8.310 nan 0.000 0.479 765 L N 1.770 123.049 121.223 0.093 0.000 2.309 765 L HA 0.536 4.877 4.340 0.001 0.000 0.282 765 L C -1.216 175.697 176.870 0.072 0.000 1.036 765 L CA -1.912 52.980 54.840 0.087 0.000 0.806 765 L CB 0.636 42.767 42.059 0.120 0.000 1.220 765 L HN 0.055 nan 8.230 nan 0.000 0.429 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.136 63.100 0.060 0.000 0.800 766 P CB 0.000 31.727 31.700 0.046 0.000 0.726