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 2i03_1_C DATA FIRST_RESID 39 DATA SEQUENCE SRKTYTLTDY 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 IKQcFS 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 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.647 174.600 0.079 0.000 1.055 39 S CA 0.000 58.251 58.200 0.085 0.000 1.107 39 S CB 0.000 63.260 63.200 0.100 0.000 0.593 40 R N 2.425 122.970 120.500 0.074 0.000 3.325 40 R HA 0.442 4.782 4.340 -0.000 0.000 0.269 40 R C 0.578 176.925 176.300 0.080 0.000 1.073 40 R CA -0.286 55.857 56.100 0.072 0.000 1.142 40 R CB -0.482 29.861 30.300 0.071 0.000 1.050 40 R HN 0.809 nan 8.270 nan 0.000 0.513 41 K N -0.365 120.088 120.400 0.087 0.000 2.098 41 K HA 0.233 4.553 4.320 -0.000 0.000 0.244 41 K C -0.286 176.378 176.600 0.105 0.000 1.014 41 K CA -0.345 56.000 56.287 0.096 0.000 0.917 41 K CB 0.659 33.222 32.500 0.105 0.000 1.072 41 K HN 0.832 nan 8.250 nan 0.000 0.477 42 T N -2.254 112.369 114.554 0.115 0.000 2.852 42 T HA 0.225 4.575 4.350 -0.000 0.000 0.281 42 T C -0.429 174.396 174.700 0.208 0.000 0.993 42 T CA -0.569 61.611 62.100 0.133 0.000 0.933 42 T CB 0.206 69.144 68.868 0.118 0.000 1.187 42 T HN 0.477 nan 8.240 nan 0.000 0.559 43 Y N 2.106 122.463 120.300 0.096 0.000 2.425 43 Y HA 0.422 4.972 4.550 -0.000 0.000 0.347 43 Y C 0.789 176.836 175.900 0.246 0.000 0.976 43 Y CA -0.587 57.608 58.100 0.158 0.000 1.190 43 Y CB 0.033 38.546 38.460 0.088 0.000 1.136 43 Y HN 1.023 nan 8.280 nan 0.000 0.517 44 T N 2.411 116.933 114.554 -0.053 0.000 2.862 44 T HA 0.155 4.505 4.350 -0.000 0.000 0.276 44 T C 0.945 175.513 174.700 -0.220 0.000 0.974 44 T CA -0.703 61.408 62.100 0.018 0.000 0.966 44 T CB 1.157 70.019 68.868 -0.011 0.000 1.072 44 T HN 0.662 nan 8.240 nan 0.000 0.538 45 L N 0.875 121.819 121.223 -0.465 0.000 2.046 45 L HA 0.033 4.373 4.340 -0.000 0.000 0.208 45 L C 2.603 179.294 176.870 -0.299 0.000 1.077 45 L CA 2.158 56.559 54.840 -0.731 0.000 0.747 45 L CB -1.620 39.891 42.059 -0.914 0.000 0.896 45 L HN 0.956 nan 8.230 nan 0.000 0.432 46 T N -0.230 114.187 114.554 -0.227 0.000 2.684 46 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 46 T C 1.506 176.103 174.700 -0.172 0.000 1.036 46 T CA 1.580 63.582 62.100 -0.162 0.000 1.148 46 T CB -0.433 68.367 68.868 -0.115 0.000 0.863 46 T HN 0.431 nan 8.240 nan 0.000 0.436 47 D N 0.156 120.422 120.400 -0.222 0.000 2.116 47 D HA -0.129 4.511 4.640 -0.000 0.000 0.193 47 D C 1.804 178.008 176.300 -0.159 0.000 0.998 47 D CA 1.267 55.117 54.000 -0.250 0.000 0.836 47 D CB -0.453 40.097 40.800 -0.417 0.000 0.951 47 D HN 0.428 nan 8.370 nan 0.000 0.449 48 Y N 1.657 121.763 120.300 -0.322 0.000 2.114 48 Y HA -0.132 4.418 4.550 -0.000 0.000 0.284 48 Y C 2.268 178.164 175.900 -0.007 0.000 1.143 48 Y CA 1.227 59.307 58.100 -0.033 0.000 1.135 48 Y CB -0.651 37.831 38.460 0.037 0.000 0.980 48 Y HN -0.095 nan 8.280 nan 0.000 0.499 49 L N -0.055 120.955 121.223 -0.356 0.000 2.141 49 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 49 L C 1.809 178.558 176.870 -0.203 0.000 1.094 49 L CA 1.249 55.864 54.840 -0.374 0.000 0.763 49 L CB -0.452 41.464 42.059 -0.238 0.000 0.908 49 L HN 0.078 nan 8.230 nan 0.000 0.437 50 K N -0.137 120.172 120.400 -0.151 0.000 2.374 50 K HA 0.066 4.386 4.320 -0.000 0.000 0.196 50 K C 0.113 176.662 176.600 -0.085 0.000 1.023 50 K CA -0.120 56.105 56.287 -0.103 0.000 1.103 50 K CB -0.386 32.056 32.500 -0.098 0.000 0.848 50 K HN 0.273 nan 8.250 nan 0.000 0.528 51 N N 1.954 120.610 118.700 -0.073 0.000 2.705 51 N HA -0.225 4.515 4.740 -0.000 0.000 0.255 51 N C 0.486 175.985 175.510 -0.018 0.000 1.008 51 N CA 0.453 53.505 53.050 0.002 0.000 0.742 51 N CB -0.290 38.193 38.487 -0.006 0.000 0.906 51 N HN 0.346 nan 8.380 nan 0.000 0.541 52 T N -2.768 111.728 114.554 -0.096 0.000 2.915 52 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 52 T C 0.511 175.007 174.700 -0.340 0.000 1.071 52 T CA 1.038 62.974 62.100 -0.273 0.000 1.132 52 T CB -0.110 68.478 68.868 -0.466 0.000 0.878 52 T HN 0.344 nan 8.240 nan 0.000 0.479 53 Y N 1.850 122.245 120.300 0.158 0.000 2.717 53 Y HA 0.627 5.177 4.550 -0.000 0.000 0.329 53 Y C 0.425 176.424 175.900 0.165 0.000 1.017 53 Y CA -1.769 56.441 58.100 0.184 0.000 1.275 53 Y CB 0.558 39.187 38.460 0.282 0.000 1.109 53 Y HN 0.011 nan 8.280 nan 0.000 0.511 54 R N 2.475 123.107 120.500 0.219 0.000 2.349 54 R HA 0.553 4.893 4.340 -0.000 0.000 0.299 54 R C -1.197 175.205 176.300 0.170 0.000 1.027 54 R CA -0.312 55.886 56.100 0.163 0.000 0.958 54 R CB 0.581 30.936 30.300 0.093 0.000 1.047 54 R HN 0.680 nan 8.270 nan 0.000 0.468 55 L N 4.367 125.688 121.223 0.164 0.000 2.289 55 L HA 0.380 4.720 4.340 -0.000 0.000 0.285 55 L C 0.125 177.066 176.870 0.118 0.000 1.049 55 L CA -0.408 54.529 54.840 0.162 0.000 0.804 55 L CB 1.438 43.616 42.059 0.198 0.000 1.195 55 L HN 0.551 nan 8.230 nan 0.000 0.428 56 K N 3.851 124.312 120.400 0.103 0.000 2.144 56 K HA 0.620 4.940 4.320 -0.000 0.000 0.270 56 K C -0.679 175.939 176.600 0.030 0.000 1.005 56 K CA -0.456 55.864 56.287 0.056 0.000 0.932 56 K CB 1.337 33.866 32.500 0.048 0.000 1.021 56 K HN 0.410 nan 8.250 nan 0.000 0.462 57 L N 0.886 122.058 121.223 -0.084 0.000 2.216 57 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 57 L C -0.989 175.580 176.870 -0.501 0.000 1.036 57 L CA -1.121 53.533 54.840 -0.310 0.000 0.914 57 L CB 0.747 42.744 42.059 -0.103 0.000 1.501 57 L HN 0.543 nan 8.230 nan 0.000 0.485 58 Y N 0.250 120.022 120.300 -0.881 0.000 2.517 58 Y HA 0.318 4.868 4.550 -0.000 0.000 0.328 58 Y C -0.797 174.966 175.900 -0.228 0.000 1.130 58 Y CA -0.506 57.288 58.100 -0.509 0.000 1.280 58 Y CB 1.223 39.226 38.460 -0.762 0.000 1.101 58 Y HN 0.373 nan 8.280 nan 0.000 0.610 59 S N 5.408 121.066 115.700 -0.071 0.000 2.430 59 S HA 0.592 5.062 4.470 -0.000 0.000 0.289 59 S C -0.742 173.856 174.600 -0.005 0.000 1.143 59 S CA -0.481 57.709 58.200 -0.017 0.000 1.067 59 S CB -0.030 63.145 63.200 -0.041 0.000 0.964 59 S HN 0.534 nan 8.310 nan 0.000 0.485 60 L N 1.482 122.667 121.223 -0.064 0.000 2.341 60 L HA 0.779 5.119 4.340 -0.000 0.000 0.267 60 L C -0.355 176.414 176.870 -0.168 0.000 1.009 60 L CA -0.816 53.930 54.840 -0.156 0.000 0.819 60 L CB 1.085 42.737 42.059 -0.679 0.000 1.323 60 L HN 0.308 nan 8.230 nan 0.000 0.425 61 R N 1.794 122.250 120.500 -0.072 0.000 2.371 61 R HA 0.318 4.658 4.340 -0.000 0.000 0.312 61 R C -1.712 174.637 176.300 0.082 0.000 0.980 61 R CA -0.504 55.603 56.100 0.013 0.000 0.867 61 R CB 0.756 31.088 30.300 0.053 0.000 1.163 61 R HN 0.877 nan 8.270 nan 0.000 0.492 62 W N 5.425 126.829 121.300 0.173 0.000 2.322 62 W HA 0.055 4.715 4.660 -0.000 0.000 0.328 62 W C 1.812 178.419 176.519 0.148 0.000 1.395 62 W CA -0.322 57.141 57.345 0.197 0.000 1.267 62 W CB 0.467 30.035 29.460 0.181 0.000 1.259 62 W HN 0.592 nan 8.180 nan 0.000 0.560 63 I N 0.048 120.847 120.570 0.382 0.000 3.939 63 I HA 0.214 4.384 4.170 -0.000 0.000 0.313 63 I C 0.893 177.153 176.117 0.239 0.000 1.274 63 I CA 0.114 61.550 61.300 0.226 0.000 1.301 63 I CB -0.026 38.046 38.000 0.120 0.000 1.105 63 I HN 0.290 nan 8.210 nan 0.000 0.427 64 S N -0.060 115.834 115.700 0.323 0.000 3.121 64 S HA 0.334 4.804 4.470 -0.000 0.000 0.324 64 S C -0.193 174.574 174.600 0.278 0.000 1.192 64 S CA -0.094 58.278 58.200 0.287 0.000 0.937 64 S CB 1.459 64.841 63.200 0.303 0.000 1.336 64 S HN 0.127 nan 8.310 nan 0.000 0.664 65 D N -1.184 119.367 120.400 0.253 0.000 2.363 65 D HA 0.329 4.969 4.640 -0.000 0.000 0.214 65 D C 0.438 176.609 176.300 -0.215 0.000 1.093 65 D CA 0.278 54.250 54.000 -0.047 0.000 0.837 65 D CB 0.056 40.767 40.800 -0.148 0.000 0.948 65 D HN 0.588 nan 8.370 nan 0.000 0.507 66 H N -1.679 117.544 119.070 0.256 0.000 3.794 66 H HA 0.418 4.974 4.556 -0.000 0.000 0.258 66 H C -0.155 175.286 175.328 0.189 0.000 1.120 66 H CA -0.230 55.952 56.048 0.224 0.000 1.166 66 H CB 0.630 30.491 29.762 0.164 0.000 1.517 66 H HN 0.006 nan 8.280 nan 0.000 0.615 67 E N 0.557 121.004 120.200 0.412 0.000 2.392 67 E HA 0.452 4.802 4.350 -0.000 0.000 0.269 67 E C -1.429 175.407 176.600 0.394 0.000 0.924 67 E CA -1.323 55.240 56.400 0.271 0.000 0.784 67 E CB 3.061 32.860 29.700 0.165 0.000 1.292 67 E HN 0.176 nan 8.360 nan 0.000 0.447 68 Y N -1.340 119.032 120.300 0.119 0.000 2.571 68 Y HA 0.560 5.110 4.550 -0.000 0.000 0.341 68 Y C -1.860 174.045 175.900 0.009 0.000 1.076 68 Y CA -1.288 56.780 58.100 -0.054 0.000 1.029 68 Y CB 0.787 38.886 38.460 -0.601 0.000 1.308 68 Y HN 0.359 nan 8.280 nan 0.000 0.461 69 L N 3.444 124.789 121.223 0.203 0.000 2.307 69 L HA 0.371 4.711 4.340 -0.000 0.000 0.282 69 L C -1.271 175.771 176.870 0.286 0.000 1.051 69 L CA -0.941 53.969 54.840 0.115 0.000 0.804 69 L CB 1.287 43.266 42.059 -0.132 0.000 1.197 69 L HN 0.775 nan 8.230 nan 0.000 0.431 70 Y N 4.033 124.430 120.300 0.161 0.000 2.805 70 Y HA 0.302 4.852 4.550 -0.000 0.000 0.339 70 Y C -0.173 175.711 175.900 -0.027 0.000 1.012 70 Y CA -1.307 56.834 58.100 0.069 0.000 1.262 70 Y CB 0.358 38.929 38.460 0.185 0.000 1.100 70 Y HN 0.435 nan 8.280 nan 0.000 0.559 71 K N 4.086 124.275 120.400 -0.352 0.000 2.485 71 K HA 0.088 4.408 4.320 -0.000 0.000 0.277 71 K C -0.195 176.059 176.600 -0.577 0.000 0.990 71 K CA 0.148 56.203 56.287 -0.386 0.000 0.994 71 K CB 0.848 33.164 32.500 -0.308 0.000 0.906 71 K HN 0.686 nan 8.250 nan 0.000 0.488 72 Q N 0.632 120.209 119.800 -0.372 0.000 3.105 72 Q HA 0.092 4.432 4.340 -0.000 0.000 0.280 72 Q C 0.424 176.312 176.000 -0.186 0.000 1.042 72 Q CA -0.732 54.877 55.803 -0.324 0.000 0.857 72 Q CB 1.123 29.744 28.738 -0.195 0.000 1.468 72 Q HN 0.651 nan 8.270 nan 0.000 0.494 73 E N -0.286 119.840 120.200 -0.122 0.000 2.482 73 E HA -0.089 4.261 4.350 -0.000 0.000 0.196 73 E C 0.273 176.852 176.600 -0.035 0.000 1.047 73 E CA 0.641 57.001 56.400 -0.067 0.000 0.869 73 E CB 0.408 30.079 29.700 -0.048 0.000 0.836 73 E HN 0.353 nan 8.360 nan 0.000 0.520 74 N N -0.292 118.382 118.700 -0.043 0.000 3.013 74 N HA 0.006 4.746 4.740 -0.000 0.000 0.250 74 N C -0.427 175.067 175.510 -0.027 0.000 0.997 74 N CA 0.281 53.320 53.050 -0.017 0.000 1.052 74 N CB 0.257 38.735 38.487 -0.015 0.000 1.663 74 N HN 0.076 nan 8.380 nan 0.000 0.641 75 N N 0.554 119.223 118.700 -0.053 0.000 2.292 75 N HA 0.476 5.216 4.740 -0.000 0.000 0.303 75 N C -0.952 174.501 175.510 -0.095 0.000 1.140 75 N CA -0.525 52.487 53.050 -0.063 0.000 0.788 75 N CB 1.691 40.155 38.487 -0.038 0.000 1.361 75 N HN 0.021 nan 8.380 nan 0.000 0.489 76 I N 0.874 121.382 120.570 -0.105 0.000 2.395 76 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 76 I C -0.205 175.920 176.117 0.014 0.000 1.023 76 I CA -0.693 60.545 61.300 -0.104 0.000 1.350 76 I CB 0.543 38.433 38.000 -0.182 0.000 1.409 76 I HN 0.288 nan 8.210 nan 0.000 0.507 77 L N 6.321 127.564 121.223 0.033 0.000 2.322 77 L HA 0.627 4.967 4.340 -0.000 0.000 0.269 77 L C -0.486 176.396 176.870 0.019 0.000 1.012 77 L CA -1.020 53.824 54.840 0.007 0.000 0.815 77 L CB 2.241 44.256 42.059 -0.074 0.000 1.295 77 L HN 0.310 nan 8.230 nan 0.000 0.438 78 V N 1.884 121.753 119.914 -0.076 0.000 2.409 78 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 78 V C -0.913 175.009 176.094 -0.288 0.000 1.020 78 V CA -0.208 62.058 62.300 -0.058 0.000 0.848 78 V CB 1.254 33.156 31.823 0.132 0.000 0.990 78 V HN 0.442 nan 8.190 nan 0.000 0.430 79 F N 5.130 124.822 119.950 -0.429 0.000 2.432 79 F HA 0.510 5.037 4.527 -0.000 0.000 0.329 79 F C 0.651 176.163 175.800 -0.480 0.000 1.076 79 F CA -0.433 57.223 58.000 -0.573 0.000 1.018 79 F CB 1.541 39.864 39.000 -1.128 0.000 1.201 79 F HN 0.482 nan 8.300 nan 0.000 0.489 80 N N 1.803 120.456 118.700 -0.079 0.000 2.546 80 N HA 0.253 4.993 4.740 -0.000 0.000 0.238 80 N C 0.467 175.919 175.510 -0.097 0.000 0.984 80 N CA 0.036 53.056 53.050 -0.050 0.000 0.935 80 N CB 1.640 40.149 38.487 0.037 0.000 1.122 80 N HN 0.795 nan 8.380 nan 0.000 0.510 81 A N 3.326 126.043 122.820 -0.171 0.000 1.948 81 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 81 A C 1.900 179.231 177.584 -0.422 0.000 1.177 81 A CA 1.721 53.578 52.037 -0.300 0.000 0.636 81 A CB -0.369 18.292 19.000 -0.565 0.000 0.815 81 A HN 0.756 nan 8.150 nan 0.000 0.449 82 E N -0.674 119.250 120.200 -0.460 0.000 2.017 82 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 82 E C 1.587 177.960 176.600 -0.377 0.000 0.997 82 E CA 2.052 58.206 56.400 -0.410 0.000 0.804 82 E CB -0.463 28.851 29.700 -0.643 0.000 0.757 82 E HN 0.691 nan 8.360 nan 0.000 0.448 83 Y N -1.809 118.505 120.300 0.023 0.000 2.479 83 Y HA 0.367 4.917 4.550 -0.000 0.000 0.283 83 Y C 1.853 177.765 175.900 0.020 0.000 1.109 83 Y CA 0.566 58.679 58.100 0.022 0.000 1.239 83 Y CB 0.269 38.742 38.460 0.021 0.000 1.108 83 Y HN 0.254 nan 8.280 nan 0.000 0.548 84 G N 0.370 109.256 108.800 0.144 0.000 2.179 84 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.220 84 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.220 84 G C -0.085 174.942 174.900 0.212 0.000 0.990 84 G CA -0.054 45.142 45.100 0.159 0.000 0.646 84 G HN 0.439 nan 8.290 nan 0.000 0.517 85 N N 0.930 119.714 118.700 0.142 0.000 2.518 85 N HA 0.513 5.253 4.740 -0.000 0.000 0.266 85 N C 0.122 175.558 175.510 -0.123 0.000 1.196 85 N CA 0.722 53.792 53.050 0.034 0.000 0.947 85 N CB 1.528 40.036 38.487 0.036 0.000 1.098 85 N HN 0.843 nan 8.380 nan 0.000 0.450 86 S N 0.295 115.808 115.700 -0.311 0.000 2.671 86 S HA 0.763 5.233 4.470 -0.000 0.000 0.299 86 S C -0.827 173.564 174.600 -0.348 0.000 1.116 86 S CA -0.833 56.997 58.200 -0.617 0.000 0.912 86 S CB 1.491 63.816 63.200 -1.457 0.000 1.130 86 S HN 0.598 nan 8.310 nan 0.000 0.501 87 S N 0.515 116.029 115.700 -0.309 0.000 2.572 87 S HA 0.399 4.869 4.470 -0.000 0.000 0.274 87 S C -0.799 173.726 174.600 -0.125 0.000 1.150 87 S CA -0.772 57.325 58.200 -0.171 0.000 0.944 87 S CB 1.535 64.665 63.200 -0.115 0.000 1.071 87 S HN 0.752 nan 8.310 nan 0.000 0.479 88 V N 4.409 124.264 119.914 -0.098 0.000 2.486 88 V HA -0.045 4.075 4.120 -0.000 0.000 0.290 88 V C 0.990 177.073 176.094 -0.017 0.000 0.991 88 V CA 0.675 62.943 62.300 -0.052 0.000 1.142 88 V CB -0.843 30.944 31.823 -0.059 0.000 0.926 88 V HN 0.951 nan 8.190 nan 0.000 0.472 89 F N 6.615 126.507 119.950 -0.097 0.000 2.234 89 F HA 0.188 4.715 4.527 -0.000 0.000 0.296 89 F C 0.688 176.456 175.800 -0.054 0.000 1.089 89 F CA 0.775 58.733 58.000 -0.071 0.000 1.343 89 F CB 0.474 39.438 39.000 -0.061 0.000 1.040 89 F HN 0.398 nan 8.300 nan 0.000 0.498 90 L N -0.125 121.174 121.223 0.126 0.000 2.705 90 L HA 0.428 4.768 4.340 -0.000 0.000 0.260 90 L C -0.968 175.894 176.870 -0.013 0.000 0.921 90 L CA -0.983 53.878 54.840 0.034 0.000 0.948 90 L CB 0.476 42.627 42.059 0.153 0.000 1.427 90 L HN -0.217 nan 8.230 nan 0.000 0.432 91 E N 2.368 122.526 120.200 -0.071 0.000 2.438 91 E HA 0.114 4.464 4.350 -0.000 0.000 0.261 91 E C 1.349 177.909 176.600 -0.067 0.000 1.103 91 E CA 0.685 57.041 56.400 -0.075 0.000 0.959 91 E CB 0.739 30.381 29.700 -0.096 0.000 0.958 91 E HN 0.741 nan 8.360 nan 0.000 0.447 92 N N 0.463 119.141 118.700 -0.037 0.000 2.216 92 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 92 N C 1.208 176.713 175.510 -0.008 0.000 1.017 92 N CA 1.310 54.362 53.050 0.004 0.000 0.861 92 N CB -0.397 38.092 38.487 0.004 0.000 0.986 92 N HN 0.344 nan 8.380 nan 0.000 0.428 93 S N -0.090 115.580 115.700 -0.051 0.000 2.515 93 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 93 S C 1.561 176.073 174.600 -0.148 0.000 0.987 93 S CA 0.757 58.919 58.200 -0.064 0.000 0.936 93 S CB -0.851 62.314 63.200 -0.057 0.000 0.766 93 S HN 0.280 nan 8.310 nan 0.000 0.528 94 T N 1.323 115.709 114.554 -0.280 0.000 2.869 94 T HA -0.005 4.345 4.350 -0.000 0.000 0.270 94 T C 0.059 174.213 174.700 -0.909 0.000 1.082 94 T CA 1.101 62.825 62.100 -0.626 0.000 1.123 94 T CB -0.446 67.887 68.868 -0.891 0.000 0.856 94 T HN 0.587 nan 8.240 nan 0.000 0.499 95 F N 0.480 120.363 119.950 -0.111 0.000 2.790 95 F HA 0.352 4.879 4.527 -0.000 0.000 0.371 95 F C 0.868 176.660 175.800 -0.013 0.000 1.293 95 F CA -1.549 56.380 58.000 -0.118 0.000 1.205 95 F CB 0.222 39.050 39.000 -0.287 0.000 1.047 95 F HN -0.077 nan 8.300 nan 0.000 0.510 96 D N 1.195 121.652 120.400 0.096 0.000 2.106 96 D HA -0.169 4.471 4.640 -0.000 0.000 0.194 96 D C 1.277 177.639 176.300 0.102 0.000 0.988 96 D CA 1.461 55.508 54.000 0.079 0.000 0.845 96 D CB -0.281 40.536 40.800 0.028 0.000 0.990 96 D HN 0.512 nan 8.370 nan 0.000 0.448 97 E N 0.529 120.777 120.200 0.081 0.000 2.676 97 E HA -0.010 4.340 4.350 -0.000 0.000 0.318 97 E C 0.454 177.114 176.600 0.099 0.000 1.514 97 E CA -0.256 56.178 56.400 0.056 0.000 1.667 97 E CB -0.496 29.218 29.700 0.022 0.000 1.336 97 E HN 0.178 nan 8.360 nan 0.000 0.492 98 F N 1.417 121.348 119.950 -0.032 0.000 2.619 98 F HA 0.253 4.780 4.527 -0.000 0.000 0.293 98 F C 1.683 177.370 175.800 -0.188 0.000 1.119 98 F CA 0.902 58.867 58.000 -0.059 0.000 1.445 98 F CB 0.386 39.358 39.000 -0.048 0.000 1.119 98 F HN 0.435 nan 8.300 nan 0.000 0.573 99 G N 0.069 108.717 108.800 -0.253 0.000 2.159 99 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.256 99 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.256 99 G C -0.035 174.424 174.900 -0.736 0.000 0.977 99 G CA 0.435 45.232 45.100 -0.504 0.000 0.652 99 G HN 0.540 nan 8.290 nan 0.000 0.531 100 H N -0.817 118.184 119.070 -0.115 0.000 2.996 100 H HA 0.578 5.134 4.556 -0.000 0.000 0.368 100 H C -0.744 174.639 175.328 0.093 0.000 1.185 100 H CA -0.082 55.944 56.048 -0.037 0.000 1.160 100 H CB 1.480 31.095 29.762 -0.246 0.000 1.820 100 H HN 0.174 nan 8.280 nan 0.000 0.547 101 S N 2.489 118.311 115.700 0.203 0.000 2.411 101 S HA 0.334 4.804 4.470 -0.000 0.000 0.294 101 S C 0.191 174.832 174.600 0.069 0.000 1.115 101 S CA -0.687 57.577 58.200 0.106 0.000 1.071 101 S CB -0.723 62.524 63.200 0.079 0.000 0.967 101 S HN 0.370 nan 8.310 nan 0.000 0.488 102 I N 6.099 126.638 120.570 -0.051 0.000 2.452 102 I HA 0.140 4.309 4.170 -0.000 0.000 0.287 102 I C 1.626 177.630 176.117 -0.188 0.000 1.079 102 I CA -0.416 60.765 61.300 -0.199 0.000 1.387 102 I CB 0.675 38.348 38.000 -0.544 0.000 1.404 102 I HN 0.745 nan 8.210 nan 0.000 0.522 103 N N 4.322 122.930 118.700 -0.153 0.000 2.392 103 N HA 0.005 4.745 4.740 -0.000 0.000 0.177 103 N C -0.159 175.258 175.510 -0.154 0.000 1.066 103 N CA 0.346 53.303 53.050 -0.153 0.000 0.895 103 N CB 0.548 38.919 38.487 -0.194 0.000 0.988 103 N HN 0.688 nan 8.380 nan 0.000 0.457 104 D N -1.685 118.597 120.400 -0.198 0.000 2.683 104 D HA 0.350 4.990 4.640 -0.000 0.000 0.246 104 D C -1.701 174.512 176.300 -0.144 0.000 1.238 104 D CA -0.532 53.431 54.000 -0.063 0.000 0.759 104 D CB 0.787 41.591 40.800 0.005 0.000 1.349 104 D HN -0.094 nan 8.370 nan 0.000 0.426 105 Y N 0.053 120.365 120.300 0.019 0.000 2.675 105 Y HA 0.784 5.334 4.550 -0.000 0.000 0.328 105 Y C 0.042 176.017 175.900 0.124 0.000 1.092 105 Y CA -1.079 57.053 58.100 0.053 0.000 1.190 105 Y CB 2.113 40.594 38.460 0.035 0.000 1.350 105 Y HN 0.212 nan 8.280 nan 0.000 0.525 106 S N 0.835 116.763 115.700 0.379 0.000 2.392 106 S HA 0.445 4.915 4.470 -0.000 0.000 0.246 106 S C -1.595 173.294 174.600 0.483 0.000 0.999 106 S CA -0.474 57.961 58.200 0.391 0.000 1.059 106 S CB -0.383 63.052 63.200 0.392 0.000 1.194 106 S HN 0.540 nan 8.310 nan 0.000 0.421 107 I N 4.393 125.100 120.570 0.229 0.000 2.395 107 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 107 I C 1.096 177.010 176.117 -0.338 0.000 1.023 107 I CA -0.490 60.829 61.300 0.031 0.000 1.350 107 I CB 1.673 39.651 38.000 -0.037 0.000 1.409 107 I HN 0.724 nan 8.210 nan 0.000 0.507 108 S N 5.919 121.068 115.700 -0.919 0.000 2.576 108 S HA 0.162 4.631 4.470 -0.000 0.000 0.272 108 S C -1.941 172.366 174.600 -0.489 0.000 1.352 108 S CA -0.959 56.410 58.200 -1.385 0.000 1.021 108 S CB 0.486 62.697 63.200 -1.649 0.000 0.887 108 S HN 0.435 nan 8.310 nan 0.000 0.542 109 P HA 0.074 nan 4.420 nan 0.000 0.239 109 P C 0.193 177.448 177.300 -0.075 0.000 1.184 109 P CA 0.651 63.688 63.100 -0.105 0.000 0.760 109 P CB 0.028 31.696 31.700 -0.052 0.000 0.884 110 D N -1.468 118.862 120.400 -0.117 0.000 2.262 110 D HA 0.074 4.714 4.640 -0.000 0.000 0.212 110 D C 1.852 178.122 176.300 -0.051 0.000 0.964 110 D CA 1.367 55.335 54.000 -0.053 0.000 0.875 110 D CB -0.216 40.585 40.800 0.001 0.000 0.996 110 D HN 0.084 nan 8.370 nan 0.000 0.497 111 G N 0.761 109.523 108.800 -0.064 0.000 2.176 111 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.253 111 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.253 111 G C 1.051 175.920 174.900 -0.051 0.000 0.979 111 G CA 0.572 45.699 45.100 0.045 0.000 0.641 111 G HN 0.388 nan 8.290 nan 0.000 0.530 112 Q N -1.347 118.326 119.800 -0.212 0.000 2.331 112 Q HA 0.370 4.710 4.340 -0.000 0.000 0.203 112 Q C 0.125 175.612 176.000 -0.855 0.000 0.944 112 Q CA 0.686 56.168 55.803 -0.536 0.000 0.892 112 Q CB 0.302 28.657 28.738 -0.639 0.000 0.983 112 Q HN 0.540 nan 8.270 nan 0.000 0.482 113 F N -0.725 119.163 119.950 -0.103 0.000 2.626 113 F HA 0.505 5.032 4.527 -0.000 0.000 0.311 113 F C -0.582 175.285 175.800 0.112 0.000 1.088 113 F CA -1.074 56.928 58.000 0.004 0.000 0.949 113 F CB 1.508 40.530 39.000 0.037 0.000 1.322 113 F HN -0.264 nan 8.300 nan 0.000 0.461 114 I N 2.731 123.643 120.570 0.571 0.000 2.498 114 I HA 0.358 4.528 4.170 -0.000 0.000 0.290 114 I C -1.482 174.965 176.117 0.550 0.000 1.032 114 I CA -0.925 60.694 61.300 0.531 0.000 1.073 114 I CB 2.172 40.496 38.000 0.539 0.000 1.251 114 I HN 0.286 nan 8.210 nan 0.000 0.426 115 L N 7.404 128.953 121.223 0.543 0.000 2.264 115 L HA 0.480 4.820 4.340 -0.000 0.000 0.289 115 L C -0.873 176.116 176.870 0.198 0.000 1.044 115 L CA -0.050 55.002 54.840 0.354 0.000 0.807 115 L CB 0.877 43.099 42.059 0.272 0.000 1.192 115 L HN 0.430 nan 8.230 nan 0.000 0.425 116 L N 5.221 126.489 121.223 0.075 0.000 2.262 116 L HA 0.458 4.798 4.340 -0.000 0.000 0.288 116 L C 0.002 176.883 176.870 0.017 0.000 1.035 116 L CA -0.331 54.410 54.840 -0.165 0.000 0.820 116 L CB 1.329 43.067 42.059 -0.535 0.000 1.204 116 L HN 0.612 nan 8.230 nan 0.000 0.424 117 E N 4.262 124.421 120.200 -0.067 0.000 2.174 117 E HA 0.421 4.771 4.350 -0.000 0.000 0.282 117 E C -1.543 175.014 176.600 -0.072 0.000 0.992 117 E CA -0.496 55.795 56.400 -0.182 0.000 0.803 117 E CB 1.014 30.660 29.700 -0.091 0.000 1.090 117 E HN 0.431 nan 8.360 nan 0.000 0.396 118 Y N 1.506 121.604 120.300 -0.336 0.000 2.689 118 Y HA 0.431 4.981 4.550 -0.000 0.000 0.333 118 Y C -0.210 175.576 175.900 -0.190 0.000 1.190 118 Y CA -1.771 56.211 58.100 -0.197 0.000 1.063 118 Y CB 0.434 38.824 38.460 -0.116 0.000 1.294 118 Y HN 0.538 nan 8.280 nan 0.000 0.466 119 N N -0.490 118.179 118.700 -0.052 0.000 2.735 119 N HA -0.290 4.450 4.740 -0.000 0.000 0.248 119 N C -0.961 174.499 175.510 -0.083 0.000 1.083 119 N CA 0.973 53.951 53.050 -0.120 0.000 0.703 119 N CB -1.578 36.724 38.487 -0.309 0.000 1.005 119 N HN 0.865 nan 8.380 nan 0.000 0.550 120 Y N 0.328 120.555 120.300 -0.120 0.000 2.620 120 Y HA 0.263 4.813 4.550 -0.000 0.000 0.330 120 Y C 0.050 175.926 175.900 -0.040 0.000 1.186 120 Y CA 0.142 58.192 58.100 -0.083 0.000 1.467 120 Y CB 0.705 39.080 38.460 -0.141 0.000 1.262 120 Y HN -0.006 nan 8.280 nan 0.000 0.550 121 V N 8.245 127.799 119.914 -0.601 0.000 2.445 121 V HA 0.174 4.294 4.120 -0.000 0.000 0.283 121 V C -0.274 175.452 176.094 -0.612 0.000 1.014 121 V CA -1.375 60.620 62.300 -0.507 0.000 0.852 121 V CB 1.196 32.874 31.823 -0.242 0.000 1.021 121 V HN 0.787 nan 8.190 nan 0.000 0.435 122 K N 3.572 123.539 120.400 -0.721 0.000 2.414 122 K HA 0.201 4.521 4.320 -0.000 0.000 0.272 122 K C 0.437 176.876 176.600 -0.267 0.000 0.993 122 K CA 0.335 56.384 56.287 -0.397 0.000 0.964 122 K CB 1.233 33.654 32.500 -0.132 0.000 0.925 122 K HN 0.799 nan 8.250 nan 0.000 0.487 123 Q N 2.611 122.254 119.800 -0.262 0.000 2.362 123 Q HA 0.171 4.511 4.340 -0.000 0.000 0.190 123 Q C 0.070 175.894 176.000 -0.294 0.000 0.763 123 Q CA -0.462 55.003 55.803 -0.564 0.000 0.681 123 Q CB 0.142 28.358 28.738 -0.869 0.000 2.020 123 Q HN 0.746 nan 8.270 nan 0.000 0.483 124 W N 0.215 121.528 121.300 0.021 0.000 1.756 124 W HA 0.302 4.962 4.660 -0.000 0.000 0.638 124 W C 1.904 178.427 176.519 0.006 0.000 1.472 124 W CA -0.439 56.948 57.345 0.071 0.000 1.437 124 W CB -0.165 29.310 29.460 0.025 0.000 3.368 124 W HN 0.330 nan 8.180 nan 0.000 0.771 125 R N -0.606 120.012 120.500 0.196 0.000 2.075 125 R HA -0.115 4.225 4.340 -0.000 0.000 0.232 125 R C 1.770 177.908 176.300 -0.270 0.000 1.126 125 R CA 1.944 57.966 56.100 -0.130 0.000 0.963 125 R CB -0.535 29.535 30.300 -0.383 0.000 0.858 125 R HN 0.435 nan 8.270 nan 0.000 0.435 126 H N -1.089 118.079 119.070 0.163 0.000 2.927 126 H HA 0.244 4.800 4.556 -0.000 0.000 0.255 126 H C 0.357 175.835 175.328 0.249 0.000 0.974 126 H CA 0.521 56.693 56.048 0.208 0.000 1.199 126 H CB 0.120 29.976 29.762 0.156 0.000 1.447 126 H HN 0.230 nan 8.280 nan 0.000 0.467 127 S N 1.257 117.011 115.700 0.090 0.000 2.585 127 S HA 0.367 4.837 4.470 -0.000 0.000 0.273 127 S C -0.238 174.324 174.600 -0.063 0.000 1.339 127 S CA -0.414 57.575 58.200 -0.353 0.000 1.028 127 S CB 0.696 63.133 63.200 -1.272 0.000 0.906 127 S HN 0.483 nan 8.310 nan 0.000 0.528 128 Y N -2.177 118.023 120.300 -0.166 0.000 2.851 128 Y HA 0.640 5.190 4.550 -0.000 0.000 0.359 128 Y C -0.934 174.981 175.900 0.024 0.000 1.231 128 Y CA -0.822 57.190 58.100 -0.146 0.000 1.106 128 Y CB 0.477 38.871 38.460 -0.110 0.000 1.409 128 Y HN 0.933 nan 8.280 nan 0.000 0.454 129 T N -0.193 114.415 114.554 0.090 0.000 2.906 129 T HA 1.024 5.374 4.350 -0.000 0.000 0.295 129 T C -0.618 174.139 174.700 0.095 0.000 1.075 129 T CA -0.181 61.957 62.100 0.063 0.000 1.005 129 T CB 1.823 70.691 68.868 0.001 0.000 1.136 129 T HN 2.017 nan 8.240 nan 0.000 0.498 130 A N 0.756 123.574 122.820 -0.003 0.000 2.467 130 A HA 0.820 5.140 4.320 -0.000 0.000 0.301 130 A C -0.881 176.414 177.584 -0.482 0.000 1.126 130 A CA -0.978 50.910 52.037 -0.249 0.000 0.632 130 A CB 0.881 19.712 19.000 -0.282 0.000 1.331 130 A HN 0.925 nan 8.150 nan 0.000 0.482 131 S N -0.804 114.367 115.700 -0.881 0.000 2.537 131 S HA 0.831 5.301 4.470 -0.000 0.000 0.301 131 S C -1.498 172.382 174.600 -1.200 0.000 1.092 131 S CA -0.135 57.474 58.200 -0.983 0.000 1.048 131 S CB 0.828 63.234 63.200 -1.323 0.000 1.053 131 S HN 0.468 nan 8.310 nan 0.000 0.501 132 Y N 0.018 120.090 120.300 -0.379 0.000 2.605 132 Y HA 0.617 5.167 4.550 -0.000 0.000 0.343 132 Y C -0.188 175.783 175.900 0.118 0.000 1.036 132 Y CA -0.962 57.090 58.100 -0.080 0.000 1.065 132 Y CB 1.648 39.996 38.460 -0.186 0.000 1.288 132 Y HN 0.480 nan 8.280 nan 0.000 0.481 133 D N 0.987 121.590 120.400 0.339 0.000 2.753 133 D HA 0.505 5.145 4.640 -0.000 0.000 0.224 133 D C -1.319 175.088 176.300 0.178 0.000 1.213 133 D CA -0.342 53.809 54.000 0.251 0.000 0.833 133 D CB 2.785 43.799 40.800 0.358 0.000 1.607 133 D HN 0.407 nan 8.370 nan 0.000 0.463 134 I N 2.012 122.678 120.570 0.160 0.000 2.382 134 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 134 I C -0.918 175.392 176.117 0.321 0.000 1.002 134 I CA -0.910 60.511 61.300 0.202 0.000 1.135 134 I CB 1.363 39.393 38.000 0.050 0.000 1.288 134 I HN 0.216 nan 8.210 nan 0.000 0.448 135 Y N 5.797 126.264 120.300 0.279 0.000 2.320 135 Y HA 0.264 4.814 4.550 -0.000 0.000 0.334 135 Y C 0.091 176.248 175.900 0.427 0.000 1.055 135 Y CA -0.501 57.800 58.100 0.335 0.000 1.143 135 Y CB 0.919 39.620 38.460 0.403 0.000 1.193 135 Y HN 0.485 nan 8.280 nan 0.000 0.477 136 D N 6.218 126.569 120.400 -0.082 0.000 2.317 136 D HA 0.095 4.735 4.640 -0.000 0.000 0.252 136 D C 0.737 176.791 176.300 -0.410 0.000 1.174 136 D CA 0.208 54.172 54.000 -0.059 0.000 0.866 136 D CB 1.070 41.865 40.800 -0.007 0.000 1.127 136 D HN 0.828 nan 8.370 nan 0.000 0.467 137 L N 3.587 124.638 121.223 -0.287 0.000 2.131 137 L HA -0.109 4.231 4.340 -0.000 0.000 0.206 137 L C 2.032 178.753 176.870 -0.249 0.000 1.087 137 L CA 0.311 55.020 54.840 -0.218 0.000 0.767 137 L CB -0.381 41.586 42.059 -0.153 0.000 0.917 137 L HN 0.400 nan 8.230 nan 0.000 0.441 138 N N 1.875 120.403 118.700 -0.288 0.000 2.009 138 N HA -0.215 4.524 4.740 -0.000 0.000 0.195 138 N C 1.570 176.976 175.510 -0.174 0.000 1.076 138 N CA 1.798 54.718 53.050 -0.217 0.000 0.863 138 N CB -0.510 37.846 38.487 -0.218 0.000 1.062 138 N HN 0.415 nan 8.380 nan 0.000 0.425 139 K N 1.417 121.721 120.400 -0.160 0.000 2.574 139 K HA 0.066 4.386 4.320 -0.000 0.000 0.193 139 K C -0.283 176.224 176.600 -0.156 0.000 1.035 139 K CA 0.233 56.447 56.287 -0.122 0.000 0.982 139 K CB -0.086 32.365 32.500 -0.080 0.000 0.795 139 K HN 0.139 nan 8.250 nan 0.000 0.491 140 R N 0.677 121.023 120.500 -0.258 0.000 3.188 140 R HA -0.202 4.138 4.340 -0.000 0.000 0.247 140 R C -0.691 175.401 176.300 -0.347 0.000 0.918 140 R CA 0.671 56.563 56.100 -0.347 0.000 0.629 140 R CB -1.816 28.427 30.300 -0.094 0.000 1.087 140 R HN 0.509 nan 8.270 nan 0.000 0.462 141 Q N 0.215 119.722 119.800 -0.489 0.000 2.456 141 Q HA 0.614 4.954 4.340 -0.000 0.000 0.283 141 Q C -1.239 174.720 176.000 -0.069 0.000 1.084 141 Q CA -0.830 54.882 55.803 -0.152 0.000 0.801 141 Q CB 1.820 30.531 28.738 -0.045 0.000 1.434 141 Q HN 0.335 nan 8.270 nan 0.000 0.419 142 L N 3.112 124.472 121.223 0.228 0.000 2.275 142 L HA 0.498 4.838 4.340 -0.000 0.000 0.288 142 L C -0.505 176.474 176.870 0.183 0.000 1.046 142 L CA -0.630 54.413 54.840 0.338 0.000 0.805 142 L CB 0.830 43.134 42.059 0.408 0.000 1.193 142 L HN 0.674 nan 8.230 nan 0.000 0.426 143 I N 3.132 123.795 120.570 0.156 0.000 2.471 143 I HA 0.018 4.188 4.170 -0.000 0.000 0.286 143 I C 1.246 177.405 176.117 0.070 0.000 1.079 143 I CA 0.153 61.502 61.300 0.080 0.000 1.398 143 I CB 1.253 39.271 38.000 0.030 0.000 1.403 143 I HN 0.688 nan 8.210 nan 0.000 0.530 144 T N 0.904 115.484 114.554 0.044 0.000 2.985 144 T HA 0.117 4.467 4.350 -0.000 0.000 0.254 144 T C 0.454 175.152 174.700 -0.003 0.000 1.021 144 T CA -0.388 61.729 62.100 0.028 0.000 0.957 144 T CB 0.113 68.999 68.868 0.031 0.000 1.047 144 T HN 0.635 nan 8.240 nan 0.000 0.511 145 E N 1.715 121.907 120.200 -0.013 0.000 2.214 145 E HA 0.251 4.601 4.350 -0.000 0.000 0.274 145 E C -0.747 175.819 176.600 -0.056 0.000 0.977 145 E CA -0.637 55.744 56.400 -0.032 0.000 0.827 145 E CB 0.842 30.527 29.700 -0.024 0.000 1.130 145 E HN 0.158 nan 8.360 nan 0.000 0.394 146 E N 0.662 120.817 120.200 -0.074 0.000 2.210 146 E HA -0.254 4.096 4.350 -0.000 0.000 0.201 146 E C -0.134 176.390 176.600 -0.127 0.000 1.339 146 E CA 0.907 57.245 56.400 -0.102 0.000 0.699 146 E CB -1.602 28.044 29.700 -0.091 0.000 1.126 146 E HN 0.700 nan 8.360 nan 0.000 0.355 147 R N -0.458 119.957 120.500 -0.140 0.000 2.528 147 R HA 0.604 4.944 4.340 -0.000 0.000 0.271 147 R C 0.743 176.872 176.300 -0.286 0.000 1.056 147 R CA -0.820 55.182 56.100 -0.165 0.000 1.117 147 R CB 0.760 31.000 30.300 -0.100 0.000 1.085 147 R HN 0.036 nan 8.270 nan 0.000 0.530 148 I N 2.822 123.177 120.570 -0.359 0.000 2.815 148 I HA 0.033 4.203 4.170 -0.000 0.000 0.291 148 I C -1.470 174.323 176.117 -0.540 0.000 1.209 148 I CA -1.467 59.456 61.300 -0.629 0.000 1.431 148 I CB 0.157 37.782 38.000 -0.624 0.000 1.351 148 I HN 0.565 nan 8.210 nan 0.000 0.585 149 P HA 0.110 nan 4.420 nan 0.000 0.274 149 P C -1.007 176.058 177.300 -0.391 0.000 1.246 149 P CA -0.485 62.204 63.100 -0.684 0.000 0.795 149 P CB 0.580 31.456 31.700 -1.373 0.000 1.006 150 N N 1.656 120.223 118.700 -0.221 0.000 2.399 150 N HA 0.019 4.759 4.740 -0.000 0.000 0.250 150 N C 0.624 176.179 175.510 0.075 0.000 1.272 150 N CA 0.133 53.115 53.050 -0.112 0.000 0.928 150 N CB -0.345 38.084 38.487 -0.096 0.000 1.158 150 N HN 0.442 nan 8.380 nan 0.000 0.463 151 N N -1.186 117.533 118.700 0.031 0.000 2.747 151 N HA -0.149 4.590 4.740 -0.000 0.000 0.249 151 N C -0.805 174.831 175.510 0.210 0.000 1.107 151 N CA 0.711 53.816 53.050 0.092 0.000 0.707 151 N CB -1.812 36.736 38.487 0.101 0.000 1.054 151 N HN 0.489 nan 8.380 nan 0.000 0.555 152 T N 0.819 115.498 114.554 0.209 0.000 2.919 152 T HA 0.122 4.472 4.350 -0.000 0.000 0.302 152 T C 1.696 176.521 174.700 0.208 0.000 1.031 152 T CA 0.090 62.344 62.100 0.257 0.000 1.127 152 T CB 1.207 70.147 68.868 0.120 0.000 0.952 152 T HN 0.171 nan 8.240 nan 0.000 0.540 153 Q N 1.273 121.191 119.800 0.196 0.000 2.402 153 Q HA 0.183 4.523 4.340 -0.000 0.000 0.206 153 Q C -0.084 176.057 176.000 0.236 0.000 0.919 153 Q CA 0.178 56.107 55.803 0.210 0.000 0.923 153 Q CB 0.843 29.664 28.738 0.139 0.000 1.048 153 Q HN 0.684 nan 8.270 nan 0.000 0.515 154 W N -0.095 121.155 121.300 -0.082 0.000 4.150 154 W HA 0.343 5.003 4.660 -0.000 0.000 0.264 154 W C -2.408 174.023 176.519 -0.146 0.000 1.296 154 W CA -0.554 56.708 57.345 -0.139 0.000 1.270 154 W CB 0.857 30.182 29.460 -0.226 0.000 1.214 154 W HN -0.390 nan 8.180 nan 0.000 0.538 155 V N 3.855 123.101 119.914 -1.112 0.000 2.789 155 V HA 0.756 4.876 4.120 -0.000 0.000 0.311 155 V C -0.358 175.123 176.094 -1.021 0.000 1.073 155 V CA -0.581 61.160 62.300 -0.932 0.000 0.921 155 V CB 1.945 33.095 31.823 -1.121 0.000 1.009 155 V HN 0.459 nan 8.190 nan 0.000 0.426 156 T N 3.124 117.369 114.554 -0.514 0.000 3.295 156 T HA 0.459 4.809 4.350 -0.000 0.000 0.331 156 T C -1.232 173.493 174.700 0.043 0.000 1.142 156 T CA -0.357 61.634 62.100 -0.182 0.000 1.078 156 T CB 0.588 69.555 68.868 0.165 0.000 1.150 156 T HN 0.502 nan 8.240 nan 0.000 0.465 157 W N 3.004 124.355 121.300 0.086 0.000 1.992 157 W HA 0.470 5.130 4.660 -0.000 0.000 0.360 157 W C 1.285 177.723 176.519 -0.134 0.000 1.369 157 W CA -0.422 56.941 57.345 0.030 0.000 1.403 157 W CB 0.464 29.934 29.460 0.018 0.000 1.215 157 W HN 0.773 nan 8.180 nan 0.000 0.643 158 S N 0.142 115.730 115.700 -0.187 0.000 2.632 158 S HA 0.264 4.734 4.470 -0.000 0.000 0.267 158 S C -1.948 172.422 174.600 -0.384 0.000 1.276 158 S CA -1.066 56.523 58.200 -1.019 0.000 0.998 158 S CB 1.146 63.678 63.200 -1.114 0.000 0.953 158 S HN 0.222 nan 8.310 nan 0.000 0.547 159 P HA -0.049 nan 4.420 nan 0.000 0.218 159 P C 1.356 178.617 177.300 -0.065 0.000 1.149 159 P CA 1.092 64.142 63.100 -0.085 0.000 0.817 159 P CB -0.063 31.616 31.700 -0.033 0.000 0.785 160 V N -5.706 114.133 119.914 -0.126 0.000 3.058 160 V HA 0.451 4.571 4.120 -0.000 0.000 0.233 160 V C 1.508 177.546 176.094 -0.095 0.000 1.255 160 V CA 0.966 63.217 62.300 -0.081 0.000 1.267 160 V CB -0.772 31.010 31.823 -0.067 0.000 1.049 160 V HN 0.034 nan 8.190 nan 0.000 0.486 161 G N 1.321 110.032 108.800 -0.149 0.000 3.348 161 G HA2 0.269 4.229 3.960 -0.000 0.000 0.180 161 G HA3 0.269 4.229 3.960 -0.000 0.000 0.180 161 G C 0.722 175.579 174.900 -0.072 0.000 1.915 161 G CA 0.540 45.543 45.100 -0.162 0.000 0.937 161 G HN 0.931 nan 8.290 nan 0.000 0.564 162 H N -0.869 118.238 119.070 0.061 0.000 3.038 162 H HA 0.401 4.957 4.556 -0.000 0.000 0.238 162 H C -0.307 175.260 175.328 0.399 0.000 1.246 162 H CA -0.484 55.700 56.048 0.227 0.000 0.966 162 H CB -0.113 29.832 29.762 0.306 0.000 2.394 162 H HN 0.140 nan 8.280 nan 0.000 0.633 163 K N 1.595 122.113 120.400 0.197 0.000 2.180 163 K HA 0.464 4.784 4.320 -0.000 0.000 0.251 163 K C -0.436 176.310 176.600 0.244 0.000 1.014 163 K CA -0.369 56.012 56.287 0.157 0.000 0.913 163 K CB 1.572 34.007 32.500 -0.108 0.000 1.008 163 K HN 0.156 nan 8.250 nan 0.000 0.490 164 L N 1.018 122.387 121.223 0.243 0.000 2.436 164 L HA 0.496 4.836 4.340 -0.000 0.000 0.268 164 L C -1.047 175.982 176.870 0.264 0.000 0.974 164 L CA -0.835 54.093 54.840 0.146 0.000 0.826 164 L CB 2.125 44.111 42.059 -0.122 0.000 1.291 164 L HN 0.698 nan 8.230 nan 0.000 0.406 165 A N 3.090 126.062 122.820 0.253 0.000 2.343 165 A HA 0.854 5.174 4.320 -0.000 0.000 0.316 165 A C -1.592 175.991 177.584 -0.001 0.000 1.104 165 A CA -0.368 51.693 52.037 0.041 0.000 0.768 165 A CB 1.189 20.125 19.000 -0.107 0.000 1.213 165 A HN 0.636 nan 8.150 nan 0.000 0.456 166 Y N -0.438 119.815 120.300 -0.078 0.000 2.571 166 Y HA 0.711 5.261 4.550 -0.000 0.000 0.341 166 Y C -1.298 174.613 175.900 0.018 0.000 1.076 166 Y CA -1.635 56.397 58.100 -0.113 0.000 1.029 166 Y CB 0.861 39.179 38.460 -0.237 0.000 1.308 166 Y HN 0.389 nan 8.280 nan 0.000 0.461 167 V N 2.776 122.851 119.914 0.268 0.000 2.435 167 V HA 0.379 4.499 4.120 -0.000 0.000 0.290 167 V C -1.341 174.971 176.094 0.364 0.000 1.030 167 V CA -0.513 61.921 62.300 0.224 0.000 0.881 167 V CB 1.284 33.138 31.823 0.052 0.000 0.983 167 V HN 0.873 nan 8.190 nan 0.000 0.445 168 W N 4.952 126.352 121.300 0.167 0.000 3.042 168 W HA 0.448 5.108 4.660 -0.000 0.000 0.337 168 W C 0.254 176.815 176.519 0.070 0.000 1.086 168 W CA -0.875 56.511 57.345 0.068 0.000 1.236 168 W CB 1.127 30.550 29.460 -0.062 0.000 1.381 168 W HN 0.791 nan 8.180 nan 0.000 0.472 169 N N 5.736 124.048 118.700 -0.647 0.000 2.725 169 N HA -0.352 4.388 4.740 -0.000 0.000 0.251 169 N C 0.270 175.605 175.510 -0.292 0.000 1.031 169 N CA 0.997 53.669 53.050 -0.629 0.000 0.720 169 N CB -1.038 36.830 38.487 -1.031 0.000 0.930 169 N HN 0.854 nan 8.380 nan 0.000 0.543 170 N N -1.961 116.633 118.700 -0.176 0.000 2.900 170 N HA -0.181 4.559 4.740 -0.000 0.000 0.240 170 N C -1.158 174.291 175.510 -0.102 0.000 0.953 170 N CA 1.249 54.221 53.050 -0.130 0.000 0.950 170 N CB -0.341 38.020 38.487 -0.210 0.000 1.102 170 N HN 0.457 nan 8.380 nan 0.000 0.593 171 D N 0.532 120.897 120.400 -0.057 0.000 2.269 171 D HA 0.477 5.117 4.640 -0.000 0.000 0.244 171 D C 0.230 176.446 176.300 -0.140 0.000 0.992 171 D CA -0.361 53.549 54.000 -0.150 0.000 0.894 171 D CB 1.579 42.243 40.800 -0.228 0.000 1.248 171 D HN 0.040 nan 8.370 nan 0.000 0.468 172 I N 1.779 122.091 120.570 -0.430 0.000 2.396 172 I HA 0.219 4.389 4.170 -0.000 0.000 0.292 172 I C -0.656 175.050 176.117 -0.685 0.000 0.999 172 I CA -0.436 60.592 61.300 -0.453 0.000 1.310 172 I CB 0.504 38.137 38.000 -0.612 0.000 1.404 172 I HN 0.157 nan 8.210 nan 0.000 0.496 173 Y N 4.129 124.060 120.300 -0.615 0.000 2.536 173 Y HA 0.641 5.191 4.550 -0.000 0.000 0.347 173 Y C -0.293 175.211 175.900 -0.660 0.000 1.000 173 Y CA -1.004 56.656 58.100 -0.733 0.000 1.051 173 Y CB 2.001 39.745 38.460 -1.194 0.000 1.259 173 Y HN 0.109 nan 8.280 nan 0.000 0.468 174 V N 2.353 122.149 119.914 -0.196 0.000 2.588 174 V HA 0.448 4.568 4.120 -0.000 0.000 0.304 174 V C -0.813 175.358 176.094 0.128 0.000 1.042 174 V CA -1.339 60.957 62.300 -0.006 0.000 0.877 174 V CB 1.974 33.849 31.823 0.088 0.000 0.996 174 V HN 0.618 nan 8.190 nan 0.000 0.425 175 K N 3.315 123.806 120.400 0.151 0.000 2.521 175 K HA 0.485 4.805 4.320 -0.000 0.000 0.248 175 K C 0.337 177.056 176.600 0.198 0.000 0.978 175 K CA -0.561 55.810 56.287 0.141 0.000 0.947 175 K CB 1.461 34.023 32.500 0.102 0.000 1.165 175 K HN 0.543 nan 8.250 nan 0.000 0.445 176 I N 1.609 122.325 120.570 0.243 0.000 2.315 176 I HA -0.162 4.008 4.170 -0.000 0.000 0.248 176 I C 0.418 176.673 176.117 0.230 0.000 1.117 176 I CA 1.418 62.857 61.300 0.231 0.000 1.404 176 I CB 0.233 38.382 38.000 0.249 0.000 1.071 176 I HN 0.475 nan 8.210 nan 0.000 0.419 177 E N -0.671 119.639 120.200 0.182 0.000 2.234 177 E HA 0.248 4.598 4.350 -0.000 0.000 0.266 177 E C -1.848 174.756 176.600 0.005 0.000 0.877 177 E CA -1.947 54.552 56.400 0.164 0.000 0.758 177 E CB 1.446 31.233 29.700 0.143 0.000 1.170 177 E HN -0.173 nan 8.360 nan 0.000 0.415 178 P HA -0.242 nan 4.420 nan 0.000 0.219 178 P C 0.836 178.027 177.300 -0.181 0.000 1.158 178 P CA 1.688 64.605 63.100 -0.304 0.000 0.895 178 P CB 0.295 31.493 31.700 -0.836 0.000 0.792 179 N N -1.835 116.789 118.700 -0.128 0.000 2.280 179 N HA 0.017 4.757 4.740 -0.000 0.000 0.192 179 N C 0.206 175.685 175.510 -0.051 0.000 1.109 179 N CA 0.325 53.332 53.050 -0.070 0.000 0.855 179 N CB -0.492 37.974 38.487 -0.035 0.000 0.974 179 N HN 0.100 nan 8.380 nan 0.000 0.482 180 L N 1.012 122.208 121.223 -0.044 0.000 2.439 180 L HA 0.494 4.834 4.340 -0.000 0.000 0.259 180 L C -1.969 174.844 176.870 -0.096 0.000 1.129 180 L CA -1.951 52.858 54.840 -0.051 0.000 0.803 180 L CB 0.175 42.219 42.059 -0.025 0.000 1.161 180 L HN -0.101 nan 8.230 nan 0.000 0.462 181 P HA 0.055 nan 4.420 nan 0.000 0.270 181 P C -0.902 176.236 177.300 -0.271 0.000 1.227 181 P CA -0.124 62.870 63.100 -0.176 0.000 0.788 181 P CB 0.576 32.169 31.700 -0.178 0.000 0.926 182 S N 0.563 116.138 115.700 -0.208 0.000 2.565 182 S HA 0.485 4.955 4.470 -0.000 0.000 0.290 182 S C -1.227 173.236 174.600 -0.229 0.000 1.150 182 S CA -0.463 57.633 58.200 -0.174 0.000 1.058 182 S CB 0.012 63.237 63.200 0.041 0.000 1.032 182 S HN 0.155 nan 8.310 nan 0.000 0.510 183 Y N 2.199 122.504 120.300 0.008 0.000 2.320 183 Y HA 0.434 4.984 4.550 -0.000 0.000 0.334 183 Y C 1.021 176.818 175.900 -0.171 0.000 1.055 183 Y CA -0.638 57.441 58.100 -0.035 0.000 1.143 183 Y CB 0.706 39.148 38.460 -0.029 0.000 1.193 183 Y HN 0.456 nan 8.280 nan 0.000 0.477 184 R N 4.087 124.520 120.500 -0.112 0.000 2.242 184 R HA 0.183 4.523 4.340 -0.000 0.000 0.334 184 R C 0.324 176.360 176.300 -0.440 0.000 1.071 184 R CA 0.012 55.738 56.100 -0.624 0.000 0.922 184 R CB 0.424 30.151 30.300 -0.956 0.000 1.023 184 R HN 0.769 nan 8.270 nan 0.000 0.458 185 I N 1.290 121.532 120.570 -0.547 0.000 2.584 185 I HA -0.038 4.132 4.170 -0.000 0.000 0.255 185 I C 1.237 177.151 176.117 -0.339 0.000 1.145 185 I CA 1.059 62.147 61.300 -0.353 0.000 1.462 185 I CB -0.268 37.482 38.000 -0.416 0.000 1.102 185 I HN 0.400 nan 8.210 nan 0.000 0.433 186 T N -1.703 112.518 114.554 -0.554 0.000 2.896 186 T HA 0.366 4.716 4.350 -0.000 0.000 0.297 186 T C -1.162 173.238 174.700 -0.499 0.000 1.108 186 T CA -0.351 61.531 62.100 -0.364 0.000 1.004 186 T CB 1.291 69.916 68.868 -0.406 0.000 1.159 186 T HN 0.129 nan 8.240 nan 0.000 0.499 187 W N 0.700 121.886 121.300 -0.190 0.000 2.534 187 W HA 0.215 4.875 4.660 -0.000 0.000 0.339 187 W C 1.979 178.442 176.519 -0.093 0.000 0.961 187 W CA -0.009 57.262 57.345 -0.125 0.000 1.545 187 W CB -0.108 29.298 29.460 -0.090 0.000 1.104 187 W HN 0.771 nan 8.180 nan 0.000 0.538 188 T N -2.306 112.293 114.554 0.075 0.000 3.129 188 T HA 0.240 4.590 4.350 -0.000 0.000 0.251 188 T C 1.259 175.955 174.700 -0.007 0.000 1.117 188 T CA 0.281 62.404 62.100 0.039 0.000 1.034 188 T CB -0.270 68.615 68.868 0.029 0.000 0.968 188 T HN 0.026 nan 8.240 nan 0.000 0.526 189 G N 1.384 110.152 108.800 -0.053 0.000 2.202 189 G HA2 0.328 4.288 3.960 -0.000 0.000 0.251 189 G HA3 0.328 4.288 3.960 -0.000 0.000 0.251 189 G C -0.561 174.277 174.900 -0.104 0.000 1.219 189 G CA -0.412 44.632 45.100 -0.094 0.000 0.943 189 G HN 0.540 nan 8.290 nan 0.000 0.465 190 K N 2.413 122.734 120.400 -0.132 0.000 2.615 190 K HA 0.172 4.492 4.320 -0.000 0.000 0.249 190 K C 0.017 176.502 176.600 -0.193 0.000 0.977 190 K CA -0.670 55.541 56.287 -0.128 0.000 0.833 190 K CB 1.389 33.851 32.500 -0.065 0.000 1.208 190 K HN 0.644 nan 8.250 nan 0.000 0.443 191 E N 3.398 123.482 120.200 -0.193 0.000 2.829 191 E HA -0.209 4.141 4.350 -0.000 0.000 0.264 191 E C -0.501 176.009 176.600 -0.149 0.000 0.922 191 E CA 1.232 57.513 56.400 -0.198 0.000 0.960 191 E CB 0.240 29.860 29.700 -0.132 0.000 0.918 191 E HN 0.693 nan 8.360 nan 0.000 0.497 192 D N 2.249 122.553 120.400 -0.161 0.000 3.006 192 D HA -0.244 4.396 4.640 -0.000 0.000 0.208 192 D C 0.619 176.987 176.300 0.114 0.000 1.116 192 D CA 1.413 55.453 54.000 0.066 0.000 0.998 192 D CB -0.446 40.412 40.800 0.096 0.000 1.124 192 D HN 0.402 nan 8.370 nan 0.000 0.413 193 I N -0.617 119.933 120.570 -0.033 0.000 3.650 193 I HA 0.219 4.389 4.170 -0.000 0.000 0.261 193 I C 1.021 177.214 176.117 0.127 0.000 1.154 193 I CA 0.457 61.808 61.300 0.085 0.000 1.418 193 I CB 0.146 38.169 38.000 0.038 0.000 1.539 193 I HN -0.116 nan 8.210 nan 0.000 0.449 194 I N 1.148 121.694 120.570 -0.040 0.000 2.410 194 I HA 0.251 4.421 4.170 -0.000 0.000 0.286 194 I C -1.432 174.653 176.117 -0.053 0.000 1.009 194 I CA -0.594 60.745 61.300 0.066 0.000 1.111 194 I CB 1.659 39.687 38.000 0.048 0.000 1.262 194 I HN -0.046 nan 8.210 nan 0.000 0.443 195 Y N 4.884 125.284 120.300 0.166 0.000 2.328 195 Y HA 0.420 4.970 4.550 -0.000 0.000 0.337 195 Y C 0.148 176.130 175.900 0.138 0.000 0.966 195 Y CA -0.979 57.221 58.100 0.167 0.000 1.136 195 Y CB 1.004 39.631 38.460 0.278 0.000 1.170 195 Y HN 0.425 nan 8.280 nan 0.000 0.470 196 N N 1.907 120.691 118.700 0.140 0.000 2.407 196 N HA 0.354 5.093 4.740 -0.000 0.000 0.277 196 N C 0.758 176.232 175.510 -0.061 0.000 0.995 196 N CA 0.423 53.483 53.050 0.017 0.000 0.903 196 N CB 1.929 40.319 38.487 -0.163 0.000 1.218 196 N HN 0.967 nan 8.380 nan 0.000 0.487 197 G N 1.635 110.422 108.800 -0.022 0.000 2.212 197 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.266 197 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.266 197 G C 0.169 174.952 174.900 -0.195 0.000 0.978 197 G CA 0.866 45.882 45.100 -0.140 0.000 0.632 197 G HN 0.651 nan 8.290 nan 0.000 0.537 198 I N -1.646 118.883 120.570 -0.070 0.000 2.934 198 I HA 0.841 5.011 4.170 -0.000 0.000 0.306 198 I C 0.295 176.461 176.117 0.081 0.000 1.110 198 I CA -0.624 60.550 61.300 -0.211 0.000 1.019 198 I CB 2.089 39.817 38.000 -0.453 0.000 1.227 198 I HN 0.187 nan 8.210 nan 0.000 0.434 199 T N -0.652 113.874 114.554 -0.046 0.000 2.934 199 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 199 T C -0.238 174.244 174.700 -0.362 0.000 1.005 199 T CA -0.700 61.212 62.100 -0.314 0.000 1.041 199 T CB 1.417 70.191 68.868 -0.157 0.000 1.042 199 T HN 0.775 nan 8.240 nan 0.000 0.505 200 D N 0.331 120.262 120.400 -0.782 0.000 2.433 200 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 200 D C 0.950 177.184 176.300 -0.110 0.000 1.226 200 D CA -1.001 52.559 54.000 -0.732 0.000 1.015 200 D CB 0.348 40.739 40.800 -0.683 0.000 1.091 200 D HN 0.729 nan 8.370 nan 0.000 0.527 201 W N 0.662 121.937 121.300 -0.042 0.000 2.301 201 W HA -0.264 4.396 4.660 -0.000 0.000 0.325 201 W C 2.208 178.649 176.519 -0.129 0.000 1.250 201 W CA 2.675 60.001 57.345 -0.032 0.000 1.261 201 W CB -0.562 28.828 29.460 -0.117 0.000 1.157 201 W HN 0.219 nan 8.180 nan 0.000 0.473 202 V N -0.114 119.880 119.914 0.132 0.000 2.490 202 V HA -0.303 3.817 4.120 -0.000 0.000 0.250 202 V C 1.864 177.783 176.094 -0.291 0.000 1.061 202 V CA 2.090 64.326 62.300 -0.107 0.000 1.064 202 V CB -0.759 31.020 31.823 -0.073 0.000 0.670 202 V HN 0.334 nan 8.190 nan 0.000 0.461 203 Y N 0.414 120.533 120.300 -0.302 0.000 2.373 203 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 203 Y C 2.566 178.357 175.900 -0.181 0.000 1.129 203 Y CA 1.895 59.814 58.100 -0.303 0.000 1.226 203 Y CB 0.083 38.246 38.460 -0.495 0.000 1.000 203 Y HN 0.395 nan 8.280 nan 0.000 0.549 204 E N 0.231 120.390 120.200 -0.069 0.000 2.046 204 E HA -0.239 4.111 4.350 -0.000 0.000 0.190 204 E C 1.914 178.471 176.600 -0.071 0.000 0.982 204 E CA 1.336 57.733 56.400 -0.005 0.000 0.800 204 E CB 0.113 29.812 29.700 -0.002 0.000 0.756 204 E HN 0.407 nan 8.360 nan 0.000 0.449 205 E N 0.438 120.403 120.200 -0.391 0.000 2.060 205 E HA -0.121 4.229 4.350 -0.000 0.000 0.189 205 E C 1.628 178.095 176.600 -0.223 0.000 0.974 205 E CA 1.300 57.455 56.400 -0.408 0.000 0.808 205 E CB 0.152 29.253 29.700 -0.999 0.000 0.768 205 E HN 0.154 nan 8.360 nan 0.000 0.453 206 E N -0.373 119.664 120.200 -0.271 0.000 2.452 206 E HA 0.042 4.392 4.350 -0.000 0.000 0.197 206 E C 1.580 178.033 176.600 -0.246 0.000 1.022 206 E CA 0.704 56.996 56.400 -0.181 0.000 0.890 206 E CB 1.314 30.911 29.700 -0.172 0.000 0.918 206 E HN 0.308 nan 8.360 nan 0.000 0.496 207 V N -2.036 117.679 119.914 -0.332 0.000 3.103 207 V HA 0.133 4.252 4.120 -0.000 0.000 0.229 207 V C 1.026 176.896 176.094 -0.375 0.000 1.304 207 V CA 0.188 62.216 62.300 -0.454 0.000 1.298 207 V CB -0.116 31.230 31.823 -0.796 0.000 1.093 207 V HN -0.031 nan 8.190 nan 0.000 0.489 208 F N 1.527 121.485 119.950 0.013 0.000 2.656 208 F HA 0.482 5.009 4.527 -0.000 0.000 0.291 208 F C 1.650 177.418 175.800 -0.054 0.000 1.122 208 F CA 0.532 58.558 58.000 0.043 0.000 1.427 208 F CB -0.187 38.883 39.000 0.118 0.000 1.125 208 F HN 0.191 nan 8.300 nan 0.000 0.583 209 S N 0.437 116.165 115.700 0.046 0.000 3.614 209 S HA 0.029 4.499 4.470 -0.000 0.000 0.360 209 S C 0.016 174.217 174.600 -0.665 0.000 1.023 209 S CA 0.430 58.512 58.200 -0.197 0.000 1.114 209 S CB -1.700 61.439 63.200 -0.102 0.000 0.907 209 S HN 0.675 nan 8.310 nan 0.000 0.470 210 A N -0.512 122.139 122.820 -0.281 0.000 2.599 210 A HA 0.674 4.994 4.320 -0.000 0.000 0.294 210 A C -0.343 177.232 177.584 -0.015 0.000 1.055 210 A CA -0.475 51.424 52.037 -0.229 0.000 0.683 210 A CB 0.309 19.185 19.000 -0.207 0.000 1.278 210 A HN 0.361 nan 8.150 nan 0.000 0.412 211 Y N 1.413 121.570 120.300 -0.238 0.000 2.448 211 Y HA 0.213 4.763 4.550 -0.000 0.000 0.289 211 Y C 1.521 177.140 175.900 -0.469 0.000 1.114 211 Y CA 0.952 58.915 58.100 -0.227 0.000 1.235 211 Y CB -0.004 38.371 38.460 -0.143 0.000 1.045 211 Y HN 0.685 nan 8.280 nan 0.000 0.554 212 S N 0.548 115.734 115.700 -0.858 0.000 2.562 212 S HA 0.437 4.907 4.470 -0.000 0.000 0.281 212 S C 0.335 174.447 174.600 -0.814 0.000 1.333 212 S CA 0.246 57.715 58.200 -1.218 0.000 1.052 212 S CB 0.421 62.656 63.200 -1.608 0.000 0.884 212 S HN 0.435 nan 8.310 nan 0.000 0.506 213 A N 4.198 126.542 122.820 -0.792 0.000 2.843 213 A HA 0.511 4.831 4.320 -0.000 0.000 0.248 213 A C -0.893 176.065 177.584 -1.044 0.000 0.904 213 A CA -0.598 50.969 52.037 -0.784 0.000 1.091 213 A CB -0.328 18.608 19.000 -0.106 0.000 1.208 213 A HN 0.896 nan 8.150 nan 0.000 0.476 214 L N -4.928 115.458 121.223 -1.396 0.000 2.445 214 L HA 0.877 5.217 4.340 -0.000 0.000 0.262 214 L C -1.368 174.935 176.870 -0.945 0.000 0.974 214 L CA -1.248 53.079 54.840 -0.855 0.000 0.822 214 L CB 1.021 42.845 42.059 -0.391 0.000 1.339 214 L HN 0.213 nan 8.230 nan 0.000 0.409 215 W N 1.766 123.146 121.300 0.132 0.000 2.543 215 W HA 0.327 4.987 4.660 -0.000 0.000 0.318 215 W C -1.183 175.555 176.519 0.365 0.000 1.002 215 W CA -0.800 56.728 57.345 0.306 0.000 1.302 215 W CB 1.351 31.069 29.460 0.431 0.000 1.299 215 W HN 0.638 nan 8.180 nan 0.000 0.424 216 W N 2.283 123.749 121.300 0.276 0.000 2.123 216 W HA 0.123 4.783 4.660 -0.000 0.000 0.351 216 W C 1.368 177.656 176.519 -0.384 0.000 1.292 216 W CA 0.576 57.948 57.345 0.044 0.000 1.263 216 W CB 0.654 30.135 29.460 0.035 0.000 1.165 216 W HN 0.182 nan 8.180 nan 0.000 0.590 217 S N 1.766 117.233 115.700 -0.389 0.000 2.603 217 S HA 0.228 4.698 4.470 -0.000 0.000 0.268 217 S C -1.843 172.519 174.600 -0.396 0.000 1.317 217 S CA -1.132 56.338 58.200 -1.218 0.000 1.012 217 S CB 1.183 63.848 63.200 -0.892 0.000 0.926 217 S HN 0.260 nan 8.310 nan 0.000 0.539 218 P HA -0.196 nan 4.420 nan 0.000 0.217 218 P C 0.882 178.163 177.300 -0.030 0.000 1.158 218 P CA 1.889 64.971 63.100 -0.030 0.000 0.887 218 P CB -0.220 31.514 31.700 0.056 0.000 0.792 219 N N -2.498 116.174 118.700 -0.046 0.000 2.280 219 N HA 0.135 4.875 4.740 -0.000 0.000 0.192 219 N C 1.098 176.542 175.510 -0.110 0.000 1.109 219 N CA 0.764 53.781 53.050 -0.054 0.000 0.855 219 N CB -0.662 37.810 38.487 -0.025 0.000 0.974 219 N HN 0.179 nan 8.380 nan 0.000 0.482 220 G N -1.453 107.285 108.800 -0.104 0.000 2.141 220 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.231 220 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.231 220 G C 0.881 175.803 174.900 0.036 0.000 0.984 220 G CA 0.597 45.609 45.100 -0.147 0.000 0.660 220 G HN 0.355 nan 8.290 nan 0.000 0.525 221 T N -0.184 114.369 114.554 -0.002 0.000 2.851 221 T HA 0.294 4.644 4.350 -0.000 0.000 0.262 221 T C 0.841 175.474 174.700 -0.112 0.000 1.043 221 T CA 1.050 63.086 62.100 -0.107 0.000 1.140 221 T CB -0.051 68.669 68.868 -0.247 0.000 0.872 221 T HN 0.260 nan 8.240 nan 0.000 0.446 222 F N 0.231 120.222 119.950 0.067 0.000 2.440 222 F HA 0.647 5.174 4.527 -0.000 0.000 0.328 222 F C -0.246 175.619 175.800 0.108 0.000 1.070 222 F CA -1.546 56.512 58.000 0.097 0.000 1.011 222 F CB 1.191 40.270 39.000 0.132 0.000 1.226 222 F HN -0.119 nan 8.300 nan 0.000 0.491 223 L N 2.209 123.619 121.223 0.313 0.000 2.446 223 L HA 0.762 5.102 4.340 -0.000 0.000 0.268 223 L C -0.908 176.073 176.870 0.185 0.000 0.975 223 L CA -0.378 54.460 54.840 -0.002 0.000 0.848 223 L CB 0.896 42.707 42.059 -0.412 0.000 1.225 223 L HN 0.632 nan 8.230 nan 0.000 0.410 224 A N 4.376 127.386 122.820 0.317 0.000 2.295 224 A HA 0.878 5.197 4.320 -0.000 0.000 0.318 224 A C -1.456 176.250 177.584 0.203 0.000 1.134 224 A CA -0.214 51.903 52.037 0.133 0.000 0.827 224 A CB 0.822 20.038 19.000 0.360 0.000 1.136 224 A HN 1.027 nan 8.150 nan 0.000 0.493 225 Y N -2.283 117.860 120.300 -0.262 0.000 2.604 225 Y HA 0.688 5.238 4.550 -0.000 0.000 0.331 225 Y C -0.451 175.411 175.900 -0.064 0.000 1.158 225 Y CA -0.770 57.306 58.100 -0.039 0.000 1.056 225 Y CB 0.617 38.987 38.460 -0.150 0.000 1.330 225 Y HN 0.989 nan 8.280 nan 0.000 0.457 226 A N 2.605 125.617 122.820 0.321 0.000 2.294 226 A HA 0.706 5.026 4.320 -0.000 0.000 0.330 226 A C -1.094 176.468 177.584 -0.036 0.000 1.133 226 A CA -0.844 51.237 52.037 0.073 0.000 0.836 226 A CB 1.726 20.721 19.000 -0.008 0.000 1.190 226 A HN 0.812 nan 8.150 nan 0.000 0.492 227 Q N 0.898 120.584 119.800 -0.191 0.000 2.310 227 Q HA 0.576 4.916 4.340 -0.000 0.000 0.270 227 Q C -2.064 173.748 176.000 -0.313 0.000 1.025 227 Q CA -0.339 55.430 55.803 -0.057 0.000 0.772 227 Q CB 1.017 29.921 28.738 0.276 0.000 1.253 227 Q HN 0.597 nan 8.270 nan 0.000 0.450 228 F N 2.368 122.432 119.950 0.191 0.000 2.436 228 F HA 0.392 4.919 4.527 -0.000 0.000 0.340 228 F C 0.515 176.473 175.800 0.263 0.000 1.113 228 F CA -0.861 57.228 58.000 0.148 0.000 1.022 228 F CB 1.292 40.292 39.000 0.001 0.000 1.128 228 F HN 0.421 nan 8.300 nan 0.000 0.466 229 N N 2.284 121.207 118.700 0.372 0.000 2.511 229 N HA 0.187 4.927 4.740 -0.000 0.000 0.249 229 N C -0.847 174.842 175.510 0.298 0.000 0.971 229 N CA -0.236 52.995 53.050 0.301 0.000 0.938 229 N CB 0.937 39.546 38.487 0.204 0.000 1.131 229 N HN 0.586 nan 8.380 nan 0.000 0.505 230 D N 1.334 121.937 120.400 0.339 0.000 2.388 230 D HA 0.112 4.752 4.640 -0.000 0.000 0.221 230 D C 1.256 177.682 176.300 0.211 0.000 1.133 230 D CA 0.153 54.328 54.000 0.292 0.000 0.831 230 D CB 0.592 41.625 40.800 0.387 0.000 0.962 230 D HN 0.450 nan 8.370 nan 0.000 0.502 231 T N 0.369 115.029 114.554 0.176 0.000 2.653 231 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 231 T C 1.353 176.115 174.700 0.103 0.000 1.035 231 T CA 1.256 63.430 62.100 0.123 0.000 1.154 231 T CB -0.027 68.903 68.868 0.103 0.000 0.862 231 T HN 0.311 nan 8.240 nan 0.000 0.441 232 E N 0.532 120.793 120.200 0.102 0.000 2.476 232 E HA 0.157 4.507 4.350 -0.000 0.000 0.196 232 E C -0.332 176.321 176.600 0.089 0.000 1.029 232 E CA -0.137 56.312 56.400 0.083 0.000 0.896 232 E CB 0.528 30.270 29.700 0.069 0.000 1.012 232 E HN 0.253 nan 8.360 nan 0.000 0.475 233 V N 3.845 123.827 119.914 0.113 0.000 2.508 233 V HA 0.076 4.196 4.120 -0.000 0.000 0.281 233 V C -1.971 174.186 176.094 0.105 0.000 1.041 233 V CA -1.307 61.064 62.300 0.118 0.000 1.016 233 V CB 0.213 32.126 31.823 0.150 0.000 0.984 233 V HN 0.032 nan 8.190 nan 0.000 0.478 234 P HA 0.205 nan 4.420 nan 0.000 0.270 234 P C -0.732 176.614 177.300 0.076 0.000 1.227 234 P CA -0.139 63.005 63.100 0.074 0.000 0.788 234 P CB 0.485 32.229 31.700 0.072 0.000 0.926 235 L N 1.577 122.822 121.223 0.035 0.000 2.329 235 L HA 0.481 4.821 4.340 -0.000 0.000 0.279 235 L C 0.065 176.896 176.870 -0.064 0.000 1.014 235 L CA -0.986 53.856 54.840 0.004 0.000 0.814 235 L CB 1.423 43.476 42.059 -0.010 0.000 1.257 235 L HN 0.273 nan 8.230 nan 0.000 0.424 236 I N 2.450 122.938 120.570 -0.137 0.000 2.365 236 I HA 0.275 4.445 4.170 -0.000 0.000 0.291 236 I C -0.404 175.558 176.117 -0.258 0.000 1.004 236 I CA 0.231 61.359 61.300 -0.287 0.000 1.311 236 I CB 0.883 38.484 38.000 -0.666 0.000 1.401 236 I HN 0.564 nan 8.210 nan 0.000 0.491 237 E N 7.524 127.592 120.200 -0.220 0.000 2.248 237 E HA 0.523 4.873 4.350 -0.000 0.000 0.267 237 E C -1.800 174.708 176.600 -0.153 0.000 0.877 237 E CA -0.633 55.623 56.400 -0.239 0.000 0.759 237 E CB 2.153 31.752 29.700 -0.167 0.000 1.182 237 E HN 0.576 nan 8.360 nan 0.000 0.418 238 Y N -1.845 118.360 120.300 -0.158 0.000 2.581 238 Y HA 0.502 5.052 4.550 -0.000 0.000 0.337 238 Y C -0.770 175.053 175.900 -0.127 0.000 1.108 238 Y CA -1.236 56.775 58.100 -0.149 0.000 1.033 238 Y CB 0.905 39.275 38.460 -0.150 0.000 1.318 238 Y HN 0.217 nan 8.280 nan 0.000 0.459 239 S N 2.456 118.157 115.700 0.001 0.000 2.565 239 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 239 S C -1.292 173.202 174.600 -0.176 0.000 1.326 239 S CA -0.287 57.781 58.200 -0.220 0.000 1.045 239 S CB 0.383 63.286 63.200 -0.495 0.000 0.918 239 S HN 0.536 nan 8.310 nan 0.000 0.505 240 F N 2.355 122.073 119.950 -0.386 0.000 2.507 240 F HA 0.436 4.963 4.527 -0.000 0.000 0.328 240 F C -0.291 175.292 175.800 -0.362 0.000 1.136 240 F CA -0.953 56.922 58.000 -0.209 0.000 0.930 240 F CB 0.827 39.815 39.000 -0.020 0.000 1.166 240 F HN 0.633 nan 8.300 nan 0.000 0.436 241 Y N 2.818 122.891 120.300 -0.378 0.000 2.448 241 Y HA 0.124 4.674 4.550 -0.000 0.000 0.289 241 Y C 1.716 177.527 175.900 -0.149 0.000 1.114 241 Y CA 1.083 59.054 58.100 -0.215 0.000 1.235 241 Y CB -0.613 37.712 38.460 -0.224 0.000 1.045 241 Y HN 0.747 nan 8.280 nan 0.000 0.554 242 S N -0.322 115.268 115.700 -0.184 0.000 3.443 242 S HA -0.226 4.244 4.470 -0.000 0.000 0.635 242 S C -0.413 174.224 174.600 0.061 0.000 2.555 242 S CA 0.254 58.509 58.200 0.092 0.000 2.778 242 S CB -1.197 62.156 63.200 0.255 0.000 0.331 242 S HN 0.458 nan 8.310 nan 0.000 1.765 243 D N 1.429 121.888 120.400 0.097 0.000 2.378 243 D HA 0.138 4.778 4.640 -0.000 0.000 0.238 243 D C 1.423 177.751 176.300 0.046 0.000 1.180 243 D CA 0.467 54.505 54.000 0.064 0.000 0.895 243 D CB 0.236 41.076 40.800 0.067 0.000 1.192 243 D HN 0.630 nan 8.370 nan 0.000 0.438 244 E N 0.442 120.658 120.200 0.028 0.000 2.147 244 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 244 E C 1.690 178.300 176.600 0.016 0.000 1.005 244 E CA 1.628 58.036 56.400 0.014 0.000 0.810 244 E CB 0.111 29.814 29.700 0.005 0.000 0.736 244 E HN 0.456 nan 8.360 nan 0.000 0.460 245 S N 0.190 115.905 115.700 0.025 0.000 2.442 245 S HA -0.115 4.355 4.470 -0.000 0.000 0.236 245 S C 1.135 175.755 174.600 0.033 0.000 1.007 245 S CA 0.148 58.363 58.200 0.025 0.000 0.965 245 S CB -0.266 62.951 63.200 0.029 0.000 0.773 245 S HN 0.273 nan 8.310 nan 0.000 0.504 246 L N 2.363 123.614 121.223 0.047 0.000 2.456 246 L HA 0.120 4.460 4.340 -0.000 0.000 0.277 246 L C 1.647 178.541 176.870 0.041 0.000 1.124 246 L CA -0.008 54.870 54.840 0.064 0.000 0.880 246 L CB 0.799 42.910 42.059 0.087 0.000 1.192 246 L HN 0.436 nan 8.230 nan 0.000 0.463 247 Q N 4.063 123.886 119.800 0.039 0.000 2.079 247 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 247 Q C -0.551 175.340 176.000 -0.181 0.000 0.974 247 Q CA 1.455 57.219 55.803 -0.065 0.000 0.840 247 Q CB 0.179 28.893 28.738 -0.039 0.000 0.898 247 Q HN 0.589 nan 8.270 nan 0.000 0.430 248 Y N 0.519 120.825 120.300 0.010 0.000 2.331 248 Y HA 0.377 4.927 4.550 -0.000 0.000 0.338 248 Y C -2.054 173.841 175.900 -0.008 0.000 0.992 248 Y CA -2.954 55.146 58.100 -0.000 0.000 1.121 248 Y CB 1.279 39.732 38.460 -0.012 0.000 1.184 248 Y HN 0.135 nan 8.280 nan 0.000 0.469 249 P HA 0.074 nan 4.420 nan 0.000 0.269 249 P C -0.986 176.302 177.300 -0.020 0.000 1.209 249 P CA -0.496 62.588 63.100 -0.028 0.000 0.776 249 P CB 0.531 32.141 31.700 -0.150 0.000 0.876 250 K N 0.317 120.695 120.400 -0.037 0.000 2.118 250 K HA 0.574 4.894 4.320 -0.000 0.000 0.254 250 K C -0.845 175.705 176.600 -0.082 0.000 0.961 250 K CA -0.652 55.618 56.287 -0.028 0.000 0.876 250 K CB 0.733 33.240 32.500 0.012 0.000 1.077 250 K HN 0.184 nan 8.250 nan 0.000 0.440 251 T N 1.792 116.284 114.554 -0.103 0.000 2.749 251 T HA 0.234 4.584 4.350 -0.000 0.000 0.287 251 T C -0.330 174.245 174.700 -0.209 0.000 0.970 251 T CA -0.710 61.296 62.100 -0.157 0.000 0.980 251 T CB 1.083 69.869 68.868 -0.138 0.000 0.924 251 T HN 0.375 nan 8.240 nan 0.000 0.456 252 V N 6.072 125.769 119.914 -0.360 0.000 2.432 252 V HA 0.531 4.651 4.120 -0.000 0.000 0.275 252 V C 0.351 176.139 176.094 -0.510 0.000 1.043 252 V CA -0.774 61.245 62.300 -0.468 0.000 0.925 252 V CB 0.601 31.975 31.823 -0.748 0.000 0.985 252 V HN 0.797 nan 8.190 nan 0.000 0.466 253 R N 4.260 124.595 120.500 -0.274 0.000 2.575 253 R HA 0.846 5.186 4.340 -0.000 0.000 0.293 253 R C -1.521 174.742 176.300 -0.062 0.000 0.983 253 R CA -0.642 55.343 56.100 -0.192 0.000 0.887 253 R CB 1.936 32.160 30.300 -0.127 0.000 1.184 253 R HN 0.552 nan 8.270 nan 0.000 0.445 254 V N 0.273 120.167 119.914 -0.033 0.000 2.888 254 V HA 0.555 4.675 4.120 -0.000 0.000 0.309 254 V C -2.905 173.255 176.094 0.111 0.000 1.114 254 V CA -2.441 59.923 62.300 0.108 0.000 0.940 254 V CB 2.763 34.718 31.823 0.219 0.000 1.021 254 V HN 0.604 nan 8.190 nan 0.000 0.426 255 P HA 0.224 nan 4.420 nan 0.000 0.264 255 P C -1.723 175.705 177.300 0.213 0.000 1.229 255 P CA 0.675 63.897 63.100 0.203 0.000 0.780 255 P CB -0.430 31.431 31.700 0.269 0.000 0.808 256 Y N 6.666 126.965 120.300 -0.000 0.000 2.315 256 Y HA 0.375 4.925 4.550 -0.000 0.000 0.324 256 Y C -2.666 173.229 175.900 -0.008 0.000 1.062 256 Y CA -2.934 55.128 58.100 -0.064 0.000 1.159 256 Y CB 1.778 40.090 38.460 -0.247 0.000 1.145 256 Y HN 0.282 nan 8.280 nan 0.000 0.442 257 P HA 0.228 nan 4.420 nan 0.000 0.286 257 P C -0.862 176.487 177.300 0.081 0.000 1.321 257 P CA -0.144 63.000 63.100 0.074 0.000 0.790 257 P CB 1.246 32.971 31.700 0.042 0.000 0.897 258 K N 2.088 122.622 120.400 0.223 0.000 2.117 258 K HA 0.484 4.804 4.320 -0.000 0.000 0.240 258 K C 0.598 177.299 176.600 0.169 0.000 1.031 258 K CA -0.718 55.718 56.287 0.248 0.000 0.909 258 K CB 0.507 33.169 32.500 0.270 0.000 1.097 258 K HN 0.439 nan 8.250 nan 0.000 0.492 259 A N 0.670 123.615 122.820 0.210 0.000 2.561 259 A HA 0.279 4.599 4.320 -0.000 0.000 0.251 259 A C 1.153 178.785 177.584 0.080 0.000 1.062 259 A CA 1.000 53.150 52.037 0.189 0.000 0.761 259 A CB -1.262 17.939 19.000 0.335 0.000 0.986 259 A HN 0.892 nan 8.150 nan 0.000 0.510 260 G N 0.949 109.781 108.800 0.052 0.000 2.179 260 G HA2 0.109 4.069 3.960 -0.000 0.000 0.260 260 G HA3 0.109 4.069 3.960 -0.000 0.000 0.260 260 G C 0.639 175.552 174.900 0.023 0.000 0.977 260 G CA 0.710 45.812 45.100 0.004 0.000 0.641 260 G HN 2.153 nan 8.290 nan 0.000 0.533 261 A N -0.412 122.440 122.820 0.053 0.000 2.246 261 A HA 0.771 5.091 4.320 -0.000 0.000 0.291 261 A C 0.808 178.426 177.584 0.055 0.000 1.103 261 A CA 0.229 52.301 52.037 0.058 0.000 0.844 261 A CB 0.820 19.871 19.000 0.084 0.000 1.136 261 A HN 1.144 nan 8.150 nan 0.000 0.500 262 V N 2.673 122.622 119.914 0.057 0.000 2.529 262 V HA 0.016 4.136 4.120 -0.000 0.000 0.292 262 V C 0.335 176.475 176.094 0.077 0.000 1.028 262 V CA -0.041 62.294 62.300 0.057 0.000 1.074 262 V CB -0.300 31.558 31.823 0.058 0.000 0.958 262 V HN 0.800 nan 8.190 nan 0.000 0.481 263 N N 6.386 125.130 118.700 0.072 0.000 2.458 263 N HA 0.489 5.229 4.740 -0.000 0.000 0.271 263 N C -2.370 173.224 175.510 0.140 0.000 1.210 263 N CA -1.258 51.857 53.050 0.109 0.000 0.978 263 N CB 1.280 39.824 38.487 0.096 0.000 1.206 263 N HN 0.396 nan 8.380 nan 0.000 0.536 264 P HA 0.132 nan 4.420 nan 0.000 0.276 264 P C -0.440 177.018 177.300 0.263 0.000 1.244 264 P CA -0.167 63.095 63.100 0.270 0.000 0.801 264 P CB 0.511 32.428 31.700 0.362 0.000 1.006 265 T N -1.577 113.107 114.554 0.216 0.000 2.927 265 T HA 0.561 4.911 4.350 -0.000 0.000 0.281 265 T C -0.145 174.663 174.700 0.182 0.000 0.998 265 T CA -0.815 61.368 62.100 0.139 0.000 1.019 265 T CB 1.427 70.352 68.868 0.094 0.000 1.061 265 T HN 0.352 nan 8.240 nan 0.000 0.518 266 V N 0.297 120.284 119.914 0.121 0.000 2.841 266 V HA 0.725 4.845 4.120 -0.000 0.000 0.310 266 V C -1.553 174.601 176.094 0.101 0.000 1.090 266 V CA -0.866 61.459 62.300 0.041 0.000 0.930 266 V CB 2.066 33.930 31.823 0.069 0.000 1.014 266 V HN 1.010 nan 8.190 nan 0.000 0.425 267 K N 4.675 125.074 120.400 -0.002 0.000 2.426 267 K HA 0.575 4.894 4.320 -0.000 0.000 0.251 267 K C -1.885 174.632 176.600 -0.139 0.000 0.941 267 K CA -0.477 55.780 56.287 -0.051 0.000 0.808 267 K CB 2.663 35.142 32.500 -0.035 0.000 1.265 267 K HN 0.566 nan 8.250 nan 0.000 0.432 268 F N 2.660 122.321 119.950 -0.482 0.000 2.495 268 F HA 0.590 5.117 4.527 -0.000 0.000 0.327 268 F C -1.383 173.874 175.800 -0.904 0.000 1.103 268 F CA -0.729 56.974 58.000 -0.494 0.000 0.949 268 F CB 0.811 39.650 39.000 -0.269 0.000 1.142 268 F HN 0.385 nan 8.300 nan 0.000 0.457 269 F N 3.616 122.793 119.950 -1.288 0.000 2.599 269 F HA 0.737 5.264 4.527 -0.000 0.000 0.311 269 F C -1.048 174.042 175.800 -1.185 0.000 1.076 269 F CA -1.200 56.152 58.000 -1.080 0.000 0.937 269 F CB 2.122 40.434 39.000 -1.148 0.000 1.282 269 F HN 0.125 nan 8.300 nan 0.000 0.460 270 V N 2.574 122.243 119.914 -0.408 0.000 2.569 270 V HA 0.607 4.727 4.120 -0.000 0.000 0.301 270 V C -1.222 174.966 176.094 0.158 0.000 1.044 270 V CA -0.795 61.369 62.300 -0.227 0.000 0.874 270 V CB 1.854 33.331 31.823 -0.577 0.000 1.002 270 V HN 0.620 nan 8.190 nan 0.000 0.424 271 V N 4.657 124.738 119.914 0.278 0.000 2.604 271 V HA 0.537 4.657 4.120 -0.000 0.000 0.305 271 V C -0.113 176.186 176.094 0.342 0.000 1.043 271 V CA -0.590 61.893 62.300 0.306 0.000 0.888 271 V CB 1.930 33.874 31.823 0.202 0.000 0.995 271 V HN 1.006 nan 8.190 nan 0.000 0.429 272 N N 3.145 121.997 118.700 0.253 0.000 2.442 272 N HA 0.161 4.901 4.740 -0.000 0.000 0.265 272 N C 0.927 176.409 175.510 -0.047 0.000 1.138 272 N CA 0.366 53.399 53.050 -0.029 0.000 0.956 272 N CB 1.106 39.513 38.487 -0.133 0.000 1.067 272 N HN 0.890 nan 8.380 nan 0.000 0.474 273 T N -0.478 114.050 114.554 -0.043 0.000 3.272 273 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 273 T C -0.025 174.646 174.700 -0.048 0.000 1.082 273 T CA -0.012 62.093 62.100 0.008 0.000 0.968 273 T CB 0.096 69.094 68.868 0.218 0.000 1.015 273 T HN 0.433 nan 8.240 nan 0.000 0.563 274 D N 0.240 120.574 120.400 -0.109 0.000 2.469 274 D HA 0.245 4.885 4.640 -0.000 0.000 0.215 274 D C 1.001 177.239 176.300 -0.104 0.000 1.154 274 D CA -0.025 53.914 54.000 -0.102 0.000 0.832 274 D CB 0.848 41.578 40.800 -0.117 0.000 1.008 274 D HN 0.360 nan 8.370 nan 0.000 0.506 275 S N 0.232 115.862 115.700 -0.117 0.000 2.540 275 S HA 0.121 4.591 4.470 -0.000 0.000 0.222 275 S C 0.827 175.344 174.600 -0.139 0.000 1.008 275 S CA -0.402 57.742 58.200 -0.093 0.000 0.939 275 S CB 0.880 64.053 63.200 -0.045 0.000 0.865 275 S HN 0.203 nan 8.310 nan 0.000 0.499 276 L N 2.490 123.551 121.223 -0.269 0.000 2.453 276 L HA 0.415 4.755 4.340 -0.000 0.000 0.272 276 L C 1.017 177.642 176.870 -0.408 0.000 1.182 276 L CA 0.125 54.702 54.840 -0.438 0.000 0.858 276 L CB -0.544 40.981 42.059 -0.889 0.000 1.120 276 L HN 0.196 nan 8.230 nan 0.000 0.474 277 S N 2.095 117.698 115.700 -0.162 0.000 2.500 277 S HA 0.206 4.675 4.470 -0.000 0.000 0.174 277 S C 0.992 175.766 174.600 0.290 0.000 0.857 277 S CA 0.805 59.027 58.200 0.037 0.000 0.905 277 S CB 0.300 63.531 63.200 0.051 0.000 0.819 277 S HN 1.087 nan 8.310 nan 0.000 0.557 278 S N -1.564 114.295 115.700 0.266 0.000 3.505 278 S HA -0.020 4.450 4.470 -0.000 0.000 0.095 278 S C 0.888 175.594 174.600 0.176 0.000 0.745 278 S CA 0.357 58.733 58.200 0.293 0.000 1.451 278 S CB -1.052 62.284 63.200 0.226 0.000 0.818 278 S HN 0.453 nan 8.310 nan 0.000 0.657 279 V N 2.427 122.419 119.914 0.130 0.000 2.490 279 V HA 0.283 4.403 4.120 -0.000 0.000 0.238 279 V C 1.238 177.377 176.094 0.074 0.000 1.056 279 V CA 1.730 64.082 62.300 0.087 0.000 1.075 279 V CB -0.324 31.536 31.823 0.062 0.000 0.746 279 V HN 0.602 nan 8.190 nan 0.000 0.479 280 T N 1.580 116.172 114.554 0.064 0.000 2.897 280 T HA 0.255 4.605 4.350 -0.000 0.000 0.294 280 T C -0.088 174.652 174.700 0.067 0.000 1.004 280 T CA -0.231 61.894 62.100 0.043 0.000 1.106 280 T CB 0.494 69.378 68.868 0.027 0.000 0.949 280 T HN 0.212 nan 8.240 nan 0.000 0.520 281 N N 1.927 120.653 118.700 0.044 0.000 2.497 281 N HA 0.406 5.146 4.740 -0.000 0.000 0.268 281 N C 0.082 175.639 175.510 0.080 0.000 1.171 281 N CA -0.156 52.948 53.050 0.090 0.000 0.948 281 N CB 0.465 38.938 38.487 -0.024 0.000 1.069 281 N HN 0.810 nan 8.380 nan 0.000 0.460 282 A N 2.032 124.914 122.820 0.104 0.000 2.561 282 A HA 0.157 4.476 4.320 -0.000 0.000 0.234 282 A C 0.213 177.836 177.584 0.065 0.000 1.055 282 A CA 0.274 52.343 52.037 0.052 0.000 0.756 282 A CB -0.073 18.940 19.000 0.021 0.000 0.986 282 A HN 0.564 nan 8.150 nan 0.000 0.505 283 T N 2.737 117.333 114.554 0.071 0.000 2.749 283 T HA 0.444 4.794 4.350 -0.000 0.000 0.287 283 T C 0.001 174.784 174.700 0.138 0.000 0.970 283 T CA -0.060 62.098 62.100 0.097 0.000 0.980 283 T CB 0.726 69.658 68.868 0.106 0.000 0.924 283 T HN 0.554 nan 8.240 nan 0.000 0.456 284 S N 3.329 119.110 115.700 0.134 0.000 2.429 284 S HA 0.481 4.951 4.470 -0.000 0.000 0.302 284 S C -0.118 174.645 174.600 0.272 0.000 1.115 284 S CA -0.711 57.599 58.200 0.183 0.000 1.095 284 S CB 0.322 63.562 63.200 0.068 0.000 0.987 284 S HN 0.457 nan 8.310 nan 0.000 0.474 285 I N 3.039 123.780 120.570 0.286 0.000 2.342 285 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 285 I C 0.507 176.729 176.117 0.174 0.000 1.010 285 I CA -0.056 61.411 61.300 0.278 0.000 1.308 285 I CB 1.009 39.237 38.000 0.381 0.000 1.400 285 I HN 0.573 nan 8.210 nan 0.000 0.488 286 Q N 6.036 125.901 119.800 0.107 0.000 2.261 286 Q HA 0.503 4.843 4.340 -0.000 0.000 0.252 286 Q C -0.989 174.920 176.000 -0.152 0.000 0.915 286 Q CA -0.414 55.240 55.803 -0.249 0.000 0.915 286 Q CB 0.995 29.549 28.738 -0.306 0.000 1.204 286 Q HN 0.569 nan 8.270 nan 0.000 0.421 287 I N 4.538 124.999 120.570 -0.181 0.000 2.330 287 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 287 I C 0.797 176.879 176.117 -0.058 0.000 1.025 287 I CA -0.374 60.902 61.300 -0.039 0.000 1.197 287 I CB 1.251 39.280 38.000 0.048 0.000 1.358 287 I HN 0.770 nan 8.210 nan 0.000 0.467 288 T N 3.400 117.880 114.554 -0.123 0.000 3.204 288 T HA 0.786 5.136 4.350 -0.000 0.000 0.312 288 T C 0.829 175.305 174.700 -0.373 0.000 1.254 288 T CA 0.289 62.254 62.100 -0.225 0.000 0.913 288 T CB 0.876 69.631 68.868 -0.189 0.000 2.143 288 T HN 0.876 nan 8.240 nan 0.000 0.569 289 A N 0.697 123.255 122.820 -0.437 0.000 6.343 289 A HA -0.012 4.308 4.320 -0.000 0.000 0.266 289 A C -2.588 174.426 177.584 -0.950 0.000 2.062 289 A CA 0.166 51.891 52.037 -0.520 0.000 0.719 289 A CB -2.766 16.039 19.000 -0.325 0.000 1.093 289 A HN 0.861 nan 8.150 nan 0.000 0.380 290 P HA 0.503 nan 4.420 nan 0.000 0.276 290 P C 0.949 178.030 177.300 -0.366 0.000 1.244 290 P CA 0.508 63.354 63.100 -0.422 0.000 0.801 290 P CB 0.800 32.332 31.700 -0.280 0.000 1.006 291 A N 1.639 124.313 122.820 -0.244 0.000 1.908 291 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 291 A C 2.088 179.544 177.584 -0.213 0.000 1.181 291 A CA 2.499 54.411 52.037 -0.207 0.000 0.627 291 A CB -1.925 16.988 19.000 -0.145 0.000 0.818 291 A HN 0.619 nan 8.150 nan 0.000 0.445 292 S N -1.873 113.712 115.700 -0.191 0.000 2.469 292 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 292 S C 1.677 176.128 174.600 -0.248 0.000 0.998 292 S CA 1.754 59.825 58.200 -0.216 0.000 0.957 292 S CB -0.261 62.842 63.200 -0.161 0.000 0.764 292 S HN 0.409 nan 8.310 nan 0.000 0.514 293 M N 0.591 120.020 119.600 -0.286 0.000 2.657 293 M HA 0.468 4.948 4.480 -0.000 0.000 0.262 293 M C 1.653 177.676 176.300 -0.461 0.000 1.213 293 M CA 0.791 55.877 55.300 -0.356 0.000 1.182 293 M CB -0.156 32.143 32.600 -0.501 0.000 1.303 293 M HN 0.218 nan 8.290 nan 0.000 0.501 294 L N 0.634 121.576 121.223 -0.467 0.000 2.353 294 L HA -0.120 4.220 4.340 -0.000 0.000 0.220 294 L C 2.022 178.789 176.870 -0.172 0.000 1.133 294 L CA 0.748 55.380 54.840 -0.346 0.000 0.798 294 L CB -0.993 40.886 42.059 -0.299 0.000 0.922 294 L HN 0.426 nan 8.230 nan 0.000 0.445 295 I N -2.552 117.921 120.570 -0.161 0.000 3.010 295 I HA 0.108 4.278 4.170 -0.000 0.000 0.271 295 I C 0.956 177.033 176.117 -0.067 0.000 1.293 295 I CA 0.615 61.851 61.300 -0.108 0.000 1.452 295 I CB -0.541 37.388 38.000 -0.118 0.000 1.082 295 I HN 0.122 nan 8.210 nan 0.000 0.484 296 G N 0.062 108.838 108.800 -0.040 0.000 2.490 296 G HA2 0.173 4.133 3.960 -0.000 0.000 0.308 296 G HA3 0.173 4.133 3.960 -0.000 0.000 0.308 296 G C -1.852 173.103 174.900 0.092 0.000 1.286 296 G CA -0.684 44.419 45.100 0.004 0.000 0.825 296 G HN 0.047 nan 8.290 nan 0.000 0.479 297 D N 1.459 121.870 120.400 0.018 0.000 2.488 297 D HA 0.409 5.049 4.640 -0.000 0.000 0.238 297 D C 0.523 176.782 176.300 -0.068 0.000 1.138 297 D CA 0.844 54.805 54.000 -0.066 0.000 0.873 297 D CB 0.369 41.082 40.800 -0.144 0.000 1.183 297 D HN 0.568 nan 8.370 nan 0.000 0.458 298 H N -0.610 118.315 119.070 -0.241 0.000 2.928 298 H HA 0.502 5.057 4.556 -0.000 0.000 0.285 298 H C -1.325 173.850 175.328 -0.256 0.000 1.438 298 H CA -0.809 55.111 56.048 -0.214 0.000 1.176 298 H CB 0.493 30.267 29.762 0.020 0.000 1.864 298 H HN 0.320 nan 8.280 nan 0.000 0.567 299 Y N -0.166 120.329 120.300 0.325 0.000 2.562 299 Y HA 0.372 4.922 4.550 -0.000 0.000 0.345 299 Y C -0.586 175.531 175.900 0.361 0.000 1.045 299 Y CA -1.084 57.194 58.100 0.297 0.000 1.028 299 Y CB 2.086 40.575 38.460 0.047 0.000 1.297 299 Y HN 0.525 nan 8.280 nan 0.000 0.463 300 L N 3.179 124.677 121.223 0.459 0.000 2.265 300 L HA 0.463 4.803 4.340 -0.000 0.000 0.288 300 L C 0.395 177.260 176.870 -0.009 0.000 1.058 300 L CA -0.231 54.513 54.840 -0.160 0.000 0.809 300 L CB 0.486 42.405 42.059 -0.233 0.000 1.179 300 L HN 0.965 nan 8.230 nan 0.000 0.429 301 C N 1.482 120.659 119.300 -0.205 0.000 3.336 301 C HA 0.542 5.002 4.460 -0.000 0.000 0.291 301 C C 0.034 174.919 174.990 -0.176 0.000 1.363 301 C CA -0.314 58.556 59.018 -0.246 0.000 1.737 301 C CB -0.848 26.789 27.740 -0.171 0.000 2.274 301 C HN 0.881 nan 8.230 nan 0.000 0.663 302 D N 0.231 120.512 120.400 -0.197 0.000 2.746 302 D HA 0.307 4.947 4.640 -0.000 0.000 0.211 302 D C -1.789 174.228 176.300 -0.473 0.000 1.242 302 D CA 0.149 54.041 54.000 -0.180 0.000 0.790 302 D CB 2.326 43.027 40.800 -0.165 0.000 1.744 302 D HN 0.366 nan 8.370 nan 0.000 0.520 303 V N 2.122 121.678 119.914 -0.597 0.000 2.577 303 V HA 0.815 4.935 4.120 -0.000 0.000 0.303 303 V C -1.497 174.224 176.094 -0.621 0.000 1.042 303 V CA 0.114 61.872 62.300 -0.904 0.000 0.872 303 V CB 1.842 32.707 31.823 -1.596 0.000 0.998 303 V HN 0.598 nan 8.190 nan 0.000 0.423 304 T N 6.277 120.556 114.554 -0.457 0.000 2.991 304 T HA 0.431 4.781 4.350 -0.000 0.000 0.303 304 T C -1.162 173.413 174.700 -0.208 0.000 1.015 304 T CA -0.139 61.855 62.100 -0.177 0.000 1.007 304 T CB 1.067 69.908 68.868 -0.046 0.000 1.034 304 T HN 0.760 nan 8.240 nan 0.000 0.446 305 W N 2.201 123.464 121.300 -0.062 0.000 2.266 305 W HA 0.512 5.172 4.660 -0.000 0.000 0.317 305 W C 1.122 177.533 176.519 -0.181 0.000 1.310 305 W CA -0.424 56.870 57.345 -0.084 0.000 1.207 305 W CB 0.634 30.127 29.460 0.056 0.000 1.199 305 W HN 0.885 nan 8.180 nan 0.000 0.544 306 A N 2.321 125.002 122.820 -0.231 0.000 1.871 306 A HA 0.168 4.488 4.320 -0.000 0.000 0.211 306 A C 0.968 178.518 177.584 -0.056 0.000 1.207 306 A CA 1.701 53.383 52.037 -0.591 0.000 0.620 306 A CB -0.492 17.749 19.000 -1.266 0.000 0.860 306 A HN 0.532 nan 8.150 nan 0.000 0.450 307 T N -5.713 108.901 114.554 0.099 0.000 2.654 307 T HA 0.362 4.712 4.350 -0.000 0.000 0.289 307 T C 0.221 175.107 174.700 0.311 0.000 1.062 307 T CA -0.394 61.819 62.100 0.188 0.000 1.041 307 T CB 0.664 69.621 68.868 0.148 0.000 1.417 307 T HN -0.004 nan 8.240 nan 0.000 0.510 308 Q N 0.439 120.388 119.800 0.248 0.000 2.234 308 Q HA -0.032 4.308 4.340 -0.000 0.000 0.206 308 Q C 0.685 176.958 176.000 0.454 0.000 0.980 308 Q CA 1.593 57.559 55.803 0.271 0.000 0.869 308 Q CB -0.215 28.639 28.738 0.194 0.000 0.912 308 Q HN 0.830 nan 8.270 nan 0.000 0.436 309 E N -0.379 120.077 120.200 0.426 0.000 3.029 309 E HA 0.226 4.576 4.350 -0.000 0.000 0.196 309 E C -0.362 176.489 176.600 0.418 0.000 0.973 309 E CA -0.159 56.501 56.400 0.433 0.000 1.242 309 E CB 1.075 30.944 29.700 0.281 0.000 1.056 309 E HN -0.051 nan 8.360 nan 0.000 0.469 310 R N 1.676 122.445 120.500 0.449 0.000 2.533 310 R HA 0.521 4.861 4.340 -0.000 0.000 0.288 310 R C -1.831 174.477 176.300 0.013 0.000 1.039 310 R CA -0.480 55.757 56.100 0.227 0.000 0.909 310 R CB 1.429 31.767 30.300 0.063 0.000 1.195 310 R HN 0.153 nan 8.270 nan 0.000 0.438 311 I N 3.123 123.540 120.570 -0.255 0.000 2.582 311 I HA 0.373 4.543 4.170 -0.000 0.000 0.292 311 I C -0.834 174.963 176.117 -0.532 0.000 1.066 311 I CA -0.451 60.426 61.300 -0.705 0.000 1.053 311 I CB 2.255 39.329 38.000 -1.544 0.000 1.241 311 I HN 0.793 nan 8.210 nan 0.000 0.421 312 S N 7.312 122.709 115.700 -0.506 0.000 2.525 312 S HA 0.776 5.246 4.470 -0.000 0.000 0.290 312 S C -0.944 173.366 174.600 -0.483 0.000 1.152 312 S CA -0.712 57.278 58.200 -0.351 0.000 1.072 312 S CB 1.915 65.034 63.200 -0.135 0.000 1.027 312 S HN 0.448 nan 8.310 nan 0.000 0.500 313 L N 1.729 122.694 121.223 -0.431 0.000 2.370 313 L HA 0.573 4.913 4.340 -0.000 0.000 0.266 313 L C -0.347 176.267 176.870 -0.425 0.000 1.002 313 L CA -0.223 54.266 54.840 -0.584 0.000 0.818 313 L CB 2.060 43.749 42.059 -0.617 0.000 1.325 313 L HN 0.850 nan 8.230 nan 0.000 0.418 314 Q N 1.500 120.963 119.800 -0.561 0.000 2.310 314 Q HA 0.432 4.772 4.340 -0.000 0.000 0.270 314 Q C -1.757 173.967 176.000 -0.459 0.000 1.025 314 Q CA -0.479 55.119 55.803 -0.341 0.000 0.772 314 Q CB 2.052 30.641 28.738 -0.247 0.000 1.253 314 Q HN 0.495 nan 8.270 nan 0.000 0.450 315 W N 2.466 123.735 121.300 -0.051 0.000 2.647 315 W HA 0.684 5.344 4.660 -0.000 0.000 0.353 315 W C -0.826 175.742 176.519 0.082 0.000 1.080 315 W CA -0.648 56.718 57.345 0.034 0.000 1.208 315 W CB 1.008 30.475 29.460 0.012 0.000 1.396 315 W HN 0.385 nan 8.180 nan 0.000 0.573 316 L N 1.883 123.338 121.223 0.387 0.000 2.436 316 L HA 0.550 4.890 4.340 -0.000 0.000 0.268 316 L C -0.256 176.811 176.870 0.328 0.000 0.974 316 L CA -1.145 53.882 54.840 0.312 0.000 0.826 316 L CB 1.468 43.677 42.059 0.251 0.000 1.291 316 L HN 0.418 nan 8.230 nan 0.000 0.406 317 R N 2.277 122.923 120.500 0.243 0.000 2.679 317 R HA 0.253 4.593 4.340 -0.000 0.000 0.269 317 R C 1.037 177.392 176.300 0.091 0.000 1.076 317 R CA -0.083 56.101 56.100 0.139 0.000 1.160 317 R CB 0.548 30.905 30.300 0.094 0.000 1.054 317 R HN 0.644 nan 8.270 nan 0.000 0.507 318 R N 1.272 121.737 120.500 -0.058 0.000 2.105 318 R HA -0.079 4.261 4.340 -0.000 0.000 0.239 318 R C 0.360 176.703 176.300 0.073 0.000 1.135 318 R CA 1.171 57.224 56.100 -0.078 0.000 0.967 318 R CB 0.171 30.385 30.300 -0.143 0.000 0.861 318 R HN 0.381 nan 8.270 nan 0.000 0.442 319 I N 2.946 123.544 120.570 0.047 0.000 2.260 319 I HA 0.010 4.180 4.170 -0.000 0.000 0.297 319 I C 0.212 176.378 176.117 0.082 0.000 1.143 319 I CA 0.327 61.657 61.300 0.050 0.000 1.271 319 I CB 0.676 38.696 38.000 0.033 0.000 1.461 319 I HN 0.276 nan 8.210 nan 0.000 0.530 320 Q N 3.268 123.117 119.800 0.081 0.000 2.263 320 Q HA -0.097 4.243 4.340 -0.000 0.000 0.175 320 Q C 1.087 177.149 176.000 0.104 0.000 0.826 320 Q CA 0.098 55.959 55.803 0.096 0.000 1.045 320 Q CB -0.117 28.637 28.738 0.028 0.000 1.140 320 Q HN 0.485 nan 8.270 nan 0.000 0.461 321 N N -0.414 118.352 118.700 0.110 0.000 2.305 321 N HA -0.063 4.677 4.740 -0.000 0.000 0.179 321 N C -0.599 174.999 175.510 0.148 0.000 1.019 321 N CA 0.776 53.889 53.050 0.104 0.000 0.869 321 N CB 0.362 38.910 38.487 0.101 0.000 1.000 321 N HN 0.271 nan 8.380 nan 0.000 0.431 322 Y N 0.590 120.909 120.300 0.032 0.000 2.364 322 Y HA 0.440 4.990 4.550 -0.000 0.000 0.340 322 Y C -0.450 175.481 175.900 0.052 0.000 0.975 322 Y CA -1.212 56.907 58.100 0.032 0.000 1.089 322 Y CB 1.253 39.724 38.460 0.019 0.000 1.192 322 Y HN -0.086 nan 8.280 nan 0.000 0.454 323 S N 4.437 120.143 115.700 0.011 0.000 2.569 323 S HA 0.898 5.368 4.470 -0.000 0.000 0.280 323 S C -2.077 172.507 174.600 -0.026 0.000 1.111 323 S CA -0.688 57.565 58.200 0.089 0.000 0.887 323 S CB 1.672 64.899 63.200 0.044 0.000 1.095 323 S HN 0.481 nan 8.310 nan 0.000 0.476 324 V N 3.141 123.124 119.914 0.115 0.000 2.709 324 V HA 0.559 4.679 4.120 -0.000 0.000 0.308 324 V C -0.514 175.636 176.094 0.093 0.000 1.062 324 V CA -0.690 61.664 62.300 0.090 0.000 0.901 324 V CB 1.917 33.841 31.823 0.169 0.000 1.003 324 V HN 1.031 nan 8.190 nan 0.000 0.425 325 M N 3.966 123.581 119.600 0.026 0.000 2.149 325 M HA 0.498 4.978 4.480 -0.000 0.000 0.342 325 M C -1.231 175.082 176.300 0.022 0.000 1.068 325 M CA -0.254 55.034 55.300 -0.020 0.000 0.991 325 M CB 0.937 33.476 32.600 -0.102 0.000 1.596 325 M HN 0.637 nan 8.290 nan 0.000 0.439 326 D N 5.085 125.496 120.400 0.019 0.000 2.198 326 D HA 0.533 5.173 4.640 -0.000 0.000 0.247 326 D C -1.066 175.215 176.300 -0.032 0.000 1.010 326 D CA -0.121 53.888 54.000 0.014 0.000 0.880 326 D CB 1.882 42.715 40.800 0.054 0.000 1.209 326 D HN 0.644 nan 8.370 nan 0.000 0.451 327 I N 2.561 123.130 120.570 -0.002 0.000 2.448 327 I HA 0.234 4.404 4.170 -0.000 0.000 0.281 327 I C -0.558 175.563 176.117 0.008 0.000 1.027 327 I CA -0.590 60.708 61.300 -0.003 0.000 1.111 327 I CB 1.315 39.370 38.000 0.092 0.000 1.236 327 I HN 0.177 nan 8.210 nan 0.000 0.452 328 c N 3.724 122.317 118.600 -0.012 0.000 2.376 328 c HA 0.555 5.125 4.570 -0.000 0.000 0.335 328 c C -0.019 174.213 174.090 0.237 0.000 1.229 328 c CA -0.692 55.696 56.329 0.098 0.000 1.867 328 c CB 0.911 43.480 42.510 0.098 0.000 2.319 328 c HN 0.647 nan 8.230 nan 0.000 0.515 329 D N -0.419 120.120 120.400 0.233 0.000 2.340 329 D HA 0.381 5.021 4.640 -0.000 0.000 0.240 329 D C -0.938 175.340 176.300 -0.037 0.000 1.001 329 D CA -0.324 53.776 54.000 0.166 0.000 0.888 329 D CB 0.902 41.736 40.800 0.057 0.000 1.310 329 D HN 0.595 nan 8.370 nan 0.000 0.474 330 Y N 1.464 121.391 120.300 -0.623 0.000 2.377 330 Y HA 0.153 4.703 4.550 -0.000 0.000 0.330 330 Y C -0.050 175.564 175.900 -0.477 0.000 1.108 330 Y CA -0.395 57.016 58.100 -1.149 0.000 1.308 330 Y CB 0.795 38.489 38.460 -1.276 0.000 1.216 330 Y HN 0.256 nan 8.280 nan 0.000 0.518 331 D N 5.661 125.472 120.400 -0.981 0.000 2.522 331 D HA 0.038 4.678 4.640 -0.000 0.000 0.218 331 D C 1.068 176.839 176.300 -0.883 0.000 1.149 331 D CA 0.099 53.695 54.000 -0.673 0.000 0.981 331 D CB 0.266 40.828 40.800 -0.396 0.000 1.041 331 D HN 0.861 nan 8.370 nan 0.000 0.518 332 E N 1.331 121.100 120.200 -0.719 0.000 2.332 332 E HA -0.271 4.079 4.350 -0.000 0.000 0.243 332 E C 0.404 176.825 176.600 -0.298 0.000 1.088 332 E CA 1.813 57.963 56.400 -0.417 0.000 1.048 332 E CB -0.100 29.516 29.700 -0.141 0.000 0.911 332 E HN 0.183 nan 8.360 nan 0.000 0.487 333 S N -1.030 114.541 115.700 -0.216 0.000 2.577 333 S HA 0.319 4.789 4.470 -0.000 0.000 0.239 333 S C -0.016 174.506 174.600 -0.129 0.000 1.236 333 S CA 0.180 58.305 58.200 -0.126 0.000 1.233 333 S CB 0.568 63.722 63.200 -0.076 0.000 0.908 333 S HN 0.178 nan 8.310 nan 0.000 0.493 334 S N -0.460 115.129 115.700 -0.185 0.000 2.490 334 S HA 0.354 4.824 4.470 -0.000 0.000 0.280 334 S C 1.461 176.009 174.600 -0.086 0.000 1.048 334 S CA 0.152 58.276 58.200 -0.127 0.000 1.263 334 S CB 0.541 63.652 63.200 -0.148 0.000 1.053 334 S HN 0.644 nan 8.310 nan 0.000 0.538 335 G N 2.290 110.987 108.800 -0.170 0.000 2.363 335 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.238 335 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.238 335 G C 0.108 175.133 174.900 0.209 0.000 1.062 335 G CA 0.537 45.703 45.100 0.110 0.000 0.629 335 G HN 0.602 nan 8.290 nan 0.000 0.514 336 R N -0.486 120.037 120.500 0.040 0.000 2.541 336 R HA 0.670 5.010 4.340 -0.000 0.000 0.263 336 R C -0.767 175.551 176.300 0.029 0.000 1.112 336 R CA -0.692 55.502 56.100 0.156 0.000 1.170 336 R CB 0.221 30.597 30.300 0.127 0.000 1.167 336 R HN 0.266 nan 8.270 nan 0.000 0.582 337 W N 0.049 121.397 121.300 0.080 0.000 2.475 337 W HA 0.441 5.101 4.660 -0.000 0.000 0.317 337 W C -0.859 175.658 176.519 -0.003 0.000 1.046 337 W CA -0.597 56.776 57.345 0.047 0.000 1.215 337 W CB 1.052 30.529 29.460 0.029 0.000 1.335 337 W HN 0.513 nan 8.180 nan 0.000 0.471 338 N N 2.098 120.892 118.700 0.156 0.000 2.392 338 N HA 0.467 5.207 4.740 -0.000 0.000 0.283 338 N C -1.445 174.110 175.510 0.074 0.000 1.003 338 N CA -0.576 52.522 53.050 0.079 0.000 0.892 338 N CB 1.045 39.542 38.487 0.018 0.000 1.193 338 N HN 0.189 nan 8.380 nan 0.000 0.487 339 c N 2.922 121.549 118.600 0.046 0.000 2.176 339 c HA 0.341 4.911 4.570 -0.000 0.000 0.329 339 c C 0.597 174.687 174.090 0.000 0.000 1.113 339 c CA -1.144 55.200 56.329 0.025 0.000 1.562 339 c CB -1.467 41.047 42.510 0.006 0.000 2.040 339 c HN 0.620 nan 8.230 nan 0.000 0.460 340 L N 3.247 124.473 121.223 0.004 0.000 2.584 340 L HA 0.086 4.426 4.340 -0.000 0.000 0.272 340 L C 0.853 177.707 176.870 -0.026 0.000 1.195 340 L CA 0.422 55.256 54.840 -0.010 0.000 0.920 340 L CB 0.247 42.304 42.059 -0.003 0.000 1.173 340 L HN 0.580 nan 8.230 nan 0.000 0.489 341 V N 5.493 125.386 119.914 -0.036 0.000 3.503 341 V HA 0.262 4.382 4.120 -0.000 0.000 0.300 341 V C 1.373 177.434 176.094 -0.056 0.000 1.099 341 V CA 0.679 62.950 62.300 -0.048 0.000 1.117 341 V CB 1.171 32.966 31.823 -0.047 0.000 1.122 341 V HN 1.099 nan 8.190 nan 0.000 0.476 342 A N 2.260 125.036 122.820 -0.073 0.000 4.029 342 A HA -0.335 3.985 4.320 -0.000 0.000 0.268 342 A C 1.843 179.353 177.584 -0.123 0.000 0.943 342 A CA 2.264 54.249 52.037 -0.087 0.000 1.137 342 A CB -1.871 17.096 19.000 -0.055 0.000 1.074 342 A HN 1.110 nan 8.150 nan 0.000 0.854 343 R N 0.312 120.747 120.500 -0.109 0.000 2.334 343 R HA 0.127 4.467 4.340 -0.000 0.000 0.212 343 R C 0.838 177.030 176.300 -0.179 0.000 0.897 343 R CA 0.759 56.803 56.100 -0.094 0.000 1.056 343 R CB 0.040 30.336 30.300 -0.008 0.000 1.046 343 R HN 0.869 nan 8.270 nan 0.000 0.513 344 Q N -0.136 119.536 119.800 -0.215 0.000 2.221 344 Q HA 0.231 4.571 4.340 -0.000 0.000 0.242 344 Q C -1.282 174.476 176.000 -0.404 0.000 0.940 344 Q CA -0.615 55.076 55.803 -0.186 0.000 0.896 344 Q CB 1.334 30.030 28.738 -0.069 0.000 1.226 344 Q HN 0.190 nan 8.270 nan 0.000 0.463 345 H N 0.402 119.460 119.070 -0.021 0.000 2.529 345 H HA 0.481 5.037 4.556 -0.000 0.000 0.348 345 H C -0.823 174.459 175.328 -0.077 0.000 1.079 345 H CA -0.612 55.418 56.048 -0.031 0.000 1.198 345 H CB 1.464 31.195 29.762 -0.051 0.000 1.521 345 H HN 0.515 nan 8.280 nan 0.000 0.514 346 I N 1.963 122.533 120.570 -0.001 0.000 2.396 346 I HA 0.208 4.378 4.170 -0.000 0.000 0.292 346 I C 0.076 176.096 176.117 -0.161 0.000 0.999 346 I CA -0.172 61.024 61.300 -0.174 0.000 1.310 346 I CB 1.211 39.059 38.000 -0.253 0.000 1.404 346 I HN 0.609 nan 8.210 nan 0.000 0.496 347 E N 8.410 128.463 120.200 -0.245 0.000 2.255 347 E HA 0.529 4.878 4.350 -0.000 0.000 0.256 347 E C -1.134 175.343 176.600 -0.205 0.000 0.887 347 E CA -0.670 55.640 56.400 -0.149 0.000 0.782 347 E CB 1.168 30.821 29.700 -0.078 0.000 1.214 347 E HN 0.633 nan 8.360 nan 0.000 0.417 348 M N 1.382 120.887 119.600 -0.159 0.000 2.719 348 M HA 0.699 5.179 4.480 -0.000 0.000 0.291 348 M C -0.864 175.408 176.300 -0.046 0.000 1.264 348 M CA -1.033 54.203 55.300 -0.107 0.000 0.811 348 M CB 2.218 34.755 32.600 -0.105 0.000 1.756 348 M HN 0.246 nan 8.290 nan 0.000 0.464 349 S N -0.789 114.896 115.700 -0.025 0.000 2.536 349 S HA 0.561 5.031 4.470 -0.000 0.000 0.271 349 S C -0.013 174.570 174.600 -0.028 0.000 1.134 349 S CA 0.053 58.230 58.200 -0.038 0.000 0.897 349 S CB 1.872 65.022 63.200 -0.084 0.000 1.094 349 S HN 0.945 nan 8.310 nan 0.000 0.473 350 T N -0.355 114.184 114.554 -0.024 0.000 3.001 350 T HA 0.101 4.451 4.350 -0.000 0.000 0.251 350 T C 1.562 176.245 174.700 -0.029 0.000 1.040 350 T CA 0.871 62.962 62.100 -0.014 0.000 0.985 350 T CB -0.343 68.525 68.868 -0.000 0.000 1.011 350 T HN 0.696 nan 8.240 nan 0.000 0.509 351 T N -1.517 113.012 114.554 -0.042 0.000 3.031 351 T HA 0.568 4.918 4.350 -0.000 0.000 0.254 351 T C 1.254 175.824 174.700 -0.217 0.000 1.060 351 T CA 0.579 62.660 62.100 -0.031 0.000 1.135 351 T CB 0.104 69.032 68.868 0.100 0.000 0.896 351 T HN 0.610 nan 8.240 nan 0.000 0.472 352 G N 0.173 108.676 108.800 -0.495 0.000 2.791 352 G HA2 0.481 4.441 3.960 -0.000 0.000 0.158 352 G HA3 0.481 4.441 3.960 -0.000 0.000 0.158 352 G C -1.472 173.186 174.900 -0.404 0.000 1.193 352 G CA -0.541 44.096 45.100 -0.771 0.000 1.032 352 G HN 0.518 nan 8.290 nan 0.000 0.557 353 W N -0.276 120.732 121.300 -0.486 0.000 2.181 353 W HA 0.770 5.430 4.660 -0.000 0.000 0.415 353 W C -0.447 176.001 176.519 -0.118 0.000 1.689 353 W CA -1.219 55.980 57.345 -0.242 0.000 1.859 353 W CB 0.511 29.808 29.460 -0.272 0.000 1.425 353 W HN 0.267 nan 8.180 nan 0.000 0.713 354 V N 2.415 122.406 119.914 0.128 0.000 2.435 354 V HA 0.729 4.849 4.120 -0.000 0.000 0.290 354 V C 0.699 176.856 176.094 0.105 0.000 1.030 354 V CA 0.227 62.550 62.300 0.039 0.000 0.881 354 V CB 0.193 32.039 31.823 0.038 0.000 0.983 354 V HN 1.282 nan 8.190 nan 0.000 0.445 355 G N 5.105 113.920 108.800 0.026 0.000 2.828 355 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.463 355 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.463 355 G C 0.357 175.315 174.900 0.098 0.000 1.394 355 G CA 0.240 45.379 45.100 0.064 0.000 0.862 355 G HN 0.656 nan 8.290 nan 0.000 0.540 356 R N -1.000 119.559 120.500 0.098 0.000 2.062 356 R HA 0.180 4.520 4.340 -0.000 0.000 0.226 356 R C 1.971 178.245 176.300 -0.044 0.000 1.125 356 R CA 1.996 58.116 56.100 0.034 0.000 0.966 356 R CB -0.043 30.264 30.300 0.012 0.000 0.861 356 R HN 0.461 nan 8.270 nan 0.000 0.433 357 F N -0.893 119.199 119.950 0.237 0.000 2.819 357 F HA 0.249 4.776 4.527 -0.000 0.000 0.325 357 F C 0.434 176.265 175.800 0.051 0.000 1.041 357 F CA -0.369 57.718 58.000 0.146 0.000 1.184 357 F CB 0.786 39.864 39.000 0.131 0.000 1.019 357 F HN -0.138 nan 8.300 nan 0.000 0.590 358 R N -0.715 119.914 120.500 0.216 0.000 2.709 358 R HA 0.421 4.761 4.340 -0.000 0.000 0.270 358 R C -3.350 173.002 176.300 0.086 0.000 1.038 358 R CA -1.763 54.393 56.100 0.092 0.000 0.872 358 R CB 0.630 30.942 30.300 0.020 0.000 1.259 358 R HN -0.332 nan 8.270 nan 0.000 0.473 359 P HA -0.049 nan 4.420 nan 0.000 0.265 359 P C -0.259 177.055 177.300 0.025 0.000 1.187 359 P CA 0.200 63.312 63.100 0.020 0.000 0.766 359 P CB 0.697 32.385 31.700 -0.019 0.000 0.820 360 S N 1.480 117.203 115.700 0.038 0.000 2.589 360 S HA 0.070 4.540 4.470 -0.000 0.000 0.265 360 S C 0.072 174.683 174.600 0.019 0.000 1.342 360 S CA -0.647 57.591 58.200 0.064 0.000 1.005 360 S CB 0.432 63.690 63.200 0.095 0.000 0.909 360 S HN 0.571 nan 8.310 nan 0.000 0.555 361 E N 2.038 122.266 120.200 0.046 0.000 2.283 361 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 361 E C -2.385 174.177 176.600 -0.064 0.000 1.027 361 E CA -2.358 54.021 56.400 -0.035 0.000 0.843 361 E CB 0.787 30.477 29.700 -0.016 0.000 1.062 361 E HN 0.512 nan 8.360 nan 0.000 0.401 362 P HA 0.160 nan 4.420 nan 0.000 0.279 362 P C -1.130 176.002 177.300 -0.280 0.000 1.252 362 P CA -0.274 62.666 63.100 -0.267 0.000 0.811 362 P CB 0.863 32.078 31.700 -0.808 0.000 1.035 363 H N 1.314 120.387 119.070 0.005 0.000 2.991 363 H HA 0.284 4.840 4.556 -0.000 0.000 0.304 363 H C -0.338 175.125 175.328 0.225 0.000 1.040 363 H CA -0.317 55.839 56.048 0.179 0.000 1.410 363 H CB 0.230 30.122 29.762 0.217 0.000 1.529 363 H HN 0.281 nan 8.280 nan 0.000 0.509 364 F N 1.833 121.991 119.950 0.347 0.000 2.410 364 F HA 0.086 4.613 4.527 -0.000 0.000 0.334 364 F C 1.714 177.721 175.800 0.345 0.000 1.134 364 F CA -0.389 57.827 58.000 0.361 0.000 1.227 364 F CB 0.854 40.001 39.000 0.245 0.000 1.194 364 F HN 0.347 nan 8.300 nan 0.000 0.571 365 T N 0.189 115.048 114.554 0.508 0.000 2.828 365 T HA 0.178 4.528 4.350 -0.000 0.000 0.290 365 T C 1.146 176.046 174.700 0.333 0.000 1.019 365 T CA -0.780 61.556 62.100 0.393 0.000 1.031 365 T CB 0.794 69.873 68.868 0.352 0.000 1.001 365 T HN 0.612 nan 8.240 nan 0.000 0.531 366 L N 1.367 122.740 121.223 0.250 0.000 1.991 366 L HA -0.199 4.141 4.340 -0.000 0.000 0.221 366 L C 2.252 179.239 176.870 0.195 0.000 1.079 366 L CA 2.811 57.773 54.840 0.203 0.000 0.778 366 L CB -1.115 41.039 42.059 0.158 0.000 0.893 366 L HN 0.971 nan 8.230 nan 0.000 0.437 367 D N -0.889 119.622 120.400 0.185 0.000 2.378 367 D HA -0.006 4.634 4.640 -0.000 0.000 0.222 367 D C 1.585 177.996 176.300 0.185 0.000 0.980 367 D CA 0.855 54.953 54.000 0.164 0.000 0.907 367 D CB -0.827 40.058 40.800 0.142 0.000 0.899 367 D HN 0.600 nan 8.370 nan 0.000 0.527 368 G N 0.519 109.471 108.800 0.253 0.000 2.225 368 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.267 368 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.267 368 G C 0.505 175.604 174.900 0.331 0.000 1.024 368 G CA 0.510 45.790 45.100 0.301 0.000 0.784 368 G HN 0.508 nan 8.290 nan 0.000 0.507 369 N N -0.286 118.583 118.700 0.281 0.000 2.236 369 N HA 0.362 5.101 4.740 -0.000 0.000 0.196 369 N C 0.522 176.140 175.510 0.180 0.000 1.114 369 N CA 0.604 53.784 53.050 0.216 0.000 0.859 369 N CB 0.689 39.261 38.487 0.141 0.000 0.982 369 N HN 0.677 nan 8.380 nan 0.000 0.493 370 S N -0.256 115.579 115.700 0.226 0.000 2.570 370 S HA 0.731 5.201 4.470 -0.000 0.000 0.270 370 S C -1.235 173.402 174.600 0.062 0.000 1.149 370 S CA -1.090 57.094 58.200 -0.028 0.000 0.837 370 S CB 1.389 64.538 63.200 -0.084 0.000 1.124 370 S HN 0.161 nan 8.310 nan 0.000 0.465 371 F N -1.592 118.187 119.950 -0.285 0.000 2.713 371 F HA 0.864 5.391 4.527 -0.000 0.000 0.311 371 F C -2.322 173.307 175.800 -0.286 0.000 1.141 371 F CA -1.545 56.249 58.000 -0.343 0.000 0.939 371 F CB 0.527 38.904 39.000 -1.040 0.000 1.325 371 F HN 0.610 nan 8.300 nan 0.000 0.453 372 Y N 0.825 121.299 120.300 0.290 0.000 2.485 372 Y HA 0.746 5.296 4.550 -0.000 0.000 0.345 372 Y C -0.708 175.395 175.900 0.338 0.000 0.998 372 Y CA -1.133 57.123 58.100 0.260 0.000 1.059 372 Y CB 2.345 40.886 38.460 0.136 0.000 1.234 372 Y HN 0.753 nan 8.280 nan 0.000 0.461 373 K N 0.490 121.154 120.400 0.440 0.000 2.578 373 K HA 0.591 4.911 4.320 -0.000 0.000 0.269 373 K C -1.969 174.773 176.600 0.238 0.000 0.941 373 K CA -0.700 55.778 56.287 0.319 0.000 0.847 373 K CB 1.241 33.868 32.500 0.211 0.000 1.397 373 K HN 0.566 nan 8.250 nan 0.000 0.422 374 I N 3.929 124.602 120.570 0.172 0.000 2.471 374 I HA 0.301 4.471 4.170 -0.000 0.000 0.286 374 I C 0.315 176.508 176.117 0.127 0.000 1.079 374 I CA -0.360 61.016 61.300 0.127 0.000 1.398 374 I CB 0.062 38.111 38.000 0.083 0.000 1.403 374 I HN 0.660 nan 8.210 nan 0.000 0.530 375 I N 1.682 122.352 120.570 0.166 0.000 3.074 375 I HA 0.512 4.682 4.170 -0.000 0.000 0.310 375 I C -0.320 175.891 176.117 0.157 0.000 1.153 375 I CA -0.788 60.602 61.300 0.150 0.000 0.993 375 I CB 2.185 40.290 38.000 0.175 0.000 1.237 375 I HN 0.323 nan 8.210 nan 0.000 0.443 376 S N 2.356 118.099 115.700 0.071 0.000 2.549 376 S HA 0.226 4.696 4.470 -0.000 0.000 0.279 376 S C 0.199 174.838 174.600 0.065 0.000 1.321 376 S CA -0.292 57.900 58.200 -0.013 0.000 1.054 376 S CB -0.134 63.008 63.200 -0.096 0.000 0.899 376 S HN 0.676 nan 8.310 nan 0.000 0.497 377 N N 1.741 120.385 118.700 -0.093 0.000 2.255 377 N HA 0.045 4.785 4.740 -0.000 0.000 0.253 377 N C 1.033 176.483 175.510 -0.099 0.000 1.313 377 N CA -0.030 52.879 53.050 -0.235 0.000 0.912 377 N CB 0.312 38.644 38.487 -0.260 0.000 1.145 377 N HN 0.733 nan 8.380 nan 0.000 0.511 378 E N 0.205 120.338 120.200 -0.113 0.000 2.250 378 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 378 E C 1.018 177.580 176.600 -0.064 0.000 0.986 378 E CA 0.902 57.271 56.400 -0.051 0.000 0.849 378 E CB 0.027 29.707 29.700 -0.034 0.000 0.797 378 E HN 0.642 nan 8.360 nan 0.000 0.482 379 E N -1.014 119.144 120.200 -0.070 0.000 2.489 379 E HA 0.041 4.391 4.350 -0.000 0.000 0.193 379 E C 0.584 177.160 176.600 -0.039 0.000 1.057 379 E CA 0.616 57.011 56.400 -0.007 0.000 0.866 379 E CB 0.005 29.732 29.700 0.045 0.000 0.916 379 E HN 0.325 nan 8.360 nan 0.000 0.500 380 G N 0.306 109.024 108.800 -0.137 0.000 2.141 380 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.231 380 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.231 380 G C -0.521 174.074 174.900 -0.509 0.000 0.984 380 G CA 0.268 45.175 45.100 -0.322 0.000 0.660 380 G HN 0.234 nan 8.290 nan 0.000 0.525 381 Y N 0.379 120.517 120.300 -0.269 0.000 2.360 381 Y HA 0.640 5.190 4.550 -0.000 0.000 0.337 381 Y C 1.121 176.752 175.900 -0.449 0.000 1.039 381 Y CA -0.984 56.904 58.100 -0.353 0.000 1.109 381 Y CB 1.080 39.333 38.460 -0.345 0.000 1.201 381 Y HN 0.082 nan 8.280 nan 0.000 0.458 382 R N 3.843 124.118 120.500 -0.375 0.000 2.296 382 R HA 0.273 4.613 4.340 -0.000 0.000 0.323 382 R C -0.804 175.142 176.300 -0.590 0.000 1.067 382 R CA -0.134 55.768 56.100 -0.330 0.000 0.946 382 R CB 0.102 30.281 30.300 -0.202 0.000 0.991 382 R HN 0.650 nan 8.270 nan 0.000 0.448 383 H N 1.728 120.739 119.070 -0.099 0.000 2.907 383 H HA 0.333 4.889 4.556 -0.000 0.000 0.361 383 H C 0.142 175.518 175.328 0.079 0.000 1.194 383 H CA -1.031 54.933 56.048 -0.140 0.000 1.152 383 H CB 1.589 31.151 29.762 -0.332 0.000 1.867 383 H HN 0.328 nan 8.280 nan 0.000 0.561 384 I N 1.287 121.919 120.570 0.104 0.000 2.533 384 I HA -0.015 4.155 4.170 -0.000 0.000 0.284 384 I C 0.483 176.660 176.117 0.101 0.000 1.109 384 I CA 0.338 61.679 61.300 0.069 0.000 1.412 384 I CB 0.170 38.119 38.000 -0.084 0.000 1.396 384 I HN 0.135 nan 8.210 nan 0.000 0.543 385 c N 7.276 125.881 118.600 0.008 0.000 2.382 385 c HA 0.417 4.987 4.570 -0.000 0.000 0.327 385 c C -0.317 173.617 174.090 -0.260 0.000 1.250 385 c CA -0.502 55.602 56.329 -0.375 0.000 1.707 385 c CB 0.973 43.016 42.510 -0.778 0.000 2.272 385 c HN 0.639 nan 8.230 nan 0.000 0.506 386 Y N 4.747 124.673 120.300 -0.623 0.000 2.341 386 Y HA 0.662 5.212 4.550 -0.000 0.000 0.340 386 Y C -1.010 174.328 175.900 -0.936 0.000 0.997 386 Y CA -0.818 56.850 58.100 -0.720 0.000 1.149 386 Y CB 0.207 38.359 38.460 -0.513 0.000 1.171 386 Y HN 0.609 nan 8.280 nan 0.000 0.494 387 F N 3.376 122.504 119.950 -1.370 0.000 2.538 387 F HA 0.511 5.038 4.527 -0.000 0.000 0.325 387 F C -0.333 174.670 175.800 -1.328 0.000 1.066 387 F CA -0.955 56.201 58.000 -1.407 0.000 0.946 387 F CB 1.776 39.615 39.000 -1.935 0.000 1.199 387 F HN 0.276 nan 8.300 nan 0.000 0.473 388 Q N 1.898 121.331 119.800 -0.611 0.000 2.333 388 Q HA 0.390 4.730 4.340 -0.000 0.000 0.268 388 Q C 0.946 176.906 176.000 -0.066 0.000 1.007 388 Q CA -0.323 55.269 55.803 -0.351 0.000 0.810 388 Q CB 1.447 30.029 28.738 -0.260 0.000 1.264 388 Q HN 0.678 nan 8.270 nan 0.000 0.452 389 I N -0.540 120.070 120.570 0.067 0.000 2.462 389 I HA -0.304 3.866 4.170 -0.000 0.000 0.259 389 I C -0.072 176.192 176.117 0.244 0.000 1.156 389 I CA 1.908 63.380 61.300 0.285 0.000 1.417 389 I CB -0.089 38.085 38.000 0.289 0.000 1.088 389 I HN 0.493 nan 8.210 nan 0.000 0.442 390 D N 0.107 120.580 120.400 0.122 0.000 2.431 390 D HA 0.082 4.721 4.640 -0.000 0.000 0.227 390 D C 0.576 176.901 176.300 0.041 0.000 1.030 390 D CA 0.006 54.040 54.000 0.056 0.000 0.897 390 D CB -0.163 40.653 40.800 0.027 0.000 1.058 390 D HN 0.158 nan 8.370 nan 0.000 0.500 391 K N 1.050 121.479 120.400 0.048 0.000 2.412 391 K HA 0.124 4.444 4.320 -0.000 0.000 0.281 391 K C 0.823 177.483 176.600 0.100 0.000 1.027 391 K CA -0.061 56.238 56.287 0.020 0.000 0.989 391 K CB 0.824 33.291 32.500 -0.055 0.000 0.935 391 K HN 0.060 nan 8.250 nan 0.000 0.475 392 K N 0.281 120.706 120.400 0.042 0.000 2.459 392 K HA 0.086 4.406 4.320 -0.000 0.000 0.193 392 K C -0.285 176.373 176.600 0.097 0.000 1.030 392 K CA 0.728 57.060 56.287 0.075 0.000 1.026 392 K CB 0.273 32.775 32.500 0.004 0.000 0.809 392 K HN 0.315 nan 8.250 nan 0.000 0.504 393 D N 0.618 121.013 120.400 -0.007 0.000 2.481 393 D HA 0.235 4.875 4.640 -0.000 0.000 0.244 393 D C -0.421 175.677 176.300 -0.336 0.000 1.057 393 D CA -0.633 53.293 54.000 -0.123 0.000 0.848 393 D CB 1.931 42.662 40.800 -0.114 0.000 1.388 393 D HN 0.297 nan 8.370 nan 0.000 0.475 394 c N -0.162 118.059 118.600 -0.631 0.000 2.407 394 c HA 0.852 5.422 4.570 -0.000 0.000 0.366 394 c C 0.203 173.861 174.090 -0.720 0.000 1.213 394 c CA -0.491 55.194 56.329 -1.074 0.000 2.011 394 c CB 1.068 42.164 42.510 -2.357 0.000 2.306 394 c HN 0.485 nan 8.230 nan 0.000 0.527 395 T N 1.757 115.941 114.554 -0.616 0.000 2.786 395 T HA 0.468 4.817 4.350 -0.000 0.000 0.283 395 T C -0.720 173.783 174.700 -0.329 0.000 0.992 395 T CA 0.147 62.053 62.100 -0.322 0.000 0.954 395 T CB 0.289 69.117 68.868 -0.067 0.000 0.934 395 T HN 0.470 nan 8.240 nan 0.000 0.440 396 F N 3.502 123.337 119.950 -0.192 0.000 2.504 396 F HA 0.235 4.761 4.527 -0.000 0.000 0.369 396 F C 1.636 177.292 175.800 -0.240 0.000 1.082 396 F CA -0.876 57.004 58.000 -0.201 0.000 1.216 396 F CB 0.392 39.281 39.000 -0.184 0.000 1.108 396 F HN 0.579 nan 8.300 nan 0.000 0.554 397 I N -0.447 120.044 120.570 -0.132 0.000 3.968 397 I HA 0.227 4.397 4.170 -0.000 0.000 0.328 397 I C 0.179 176.165 176.117 -0.219 0.000 1.290 397 I CA 0.136 61.194 61.300 -0.402 0.000 1.163 397 I CB 0.023 37.508 38.000 -0.858 0.000 1.024 397 I HN 0.489 nan 8.210 nan 0.000 0.413 398 T N 0.094 114.540 114.554 -0.180 0.000 2.896 398 T HA 0.719 5.069 4.350 -0.000 0.000 0.297 398 T C -0.673 173.572 174.700 -0.758 0.000 1.108 398 T CA -0.661 61.269 62.100 -0.283 0.000 1.004 398 T CB 2.761 71.510 68.868 -0.198 0.000 1.159 398 T HN 0.518 nan 8.240 nan 0.000 0.499 399 K N -0.421 119.337 120.400 -1.070 0.000 2.672 399 K HA 0.743 5.063 4.320 -0.000 0.000 0.295 399 K C -0.464 175.469 176.600 -1.111 0.000 1.042 399 K CA -0.730 54.635 56.287 -1.537 0.000 0.869 399 K CB 1.070 33.121 32.500 -0.747 0.000 1.541 399 K HN 1.752 nan 8.250 nan 0.000 0.396 400 G N -0.158 108.111 108.800 -0.884 0.000 2.355 400 G HA2 0.077 4.037 3.960 -0.000 0.000 0.619 400 G HA3 0.077 4.037 3.960 -0.000 0.000 0.619 400 G C -0.713 173.727 174.900 -0.767 0.000 1.337 400 G CA -0.383 44.396 45.100 -0.534 0.000 0.993 400 G HN 1.133 nan 8.290 nan 0.000 0.599 401 T N -0.327 113.935 114.554 -0.486 0.000 4.098 401 T HA 0.563 4.913 4.350 -0.000 0.000 0.291 401 T C 0.251 174.798 174.700 -0.256 0.000 1.440 401 T CA 0.633 62.227 62.100 -0.842 0.000 1.164 401 T CB -0.904 67.675 68.868 -0.481 0.000 1.313 401 T HN 1.586 nan 8.240 nan 0.000 0.951 402 W N -0.167 120.961 121.300 -0.287 0.000 2.895 402 W HA 0.621 5.281 4.660 -0.000 0.000 0.377 402 W C -1.512 175.007 176.519 0.001 0.000 1.191 402 W CA -0.978 56.354 57.345 -0.022 0.000 1.179 402 W CB 0.588 30.036 29.460 -0.021 0.000 1.469 402 W HN 0.233 nan 8.180 nan 0.000 0.577 403 E N 0.835 121.197 120.200 0.270 0.000 2.340 403 E HA 0.443 4.793 4.350 -0.000 0.000 0.273 403 E C -1.132 175.555 176.600 0.144 0.000 0.891 403 E CA -1.139 55.216 56.400 -0.075 0.000 0.757 403 E CB 3.398 33.090 29.700 -0.012 0.000 1.231 403 E HN 0.156 nan 8.360 nan 0.000 0.439 404 V N 3.808 123.677 119.914 -0.074 0.000 2.555 404 V HA 0.008 4.128 4.120 -0.000 0.000 0.286 404 V C 1.234 177.398 176.094 0.116 0.000 1.044 404 V CA 0.019 62.364 62.300 0.074 0.000 1.026 404 V CB 0.597 32.344 31.823 -0.126 0.000 0.981 404 V HN 0.707 nan 8.190 nan 0.000 0.480 405 I N 2.925 123.612 120.570 0.195 0.000 2.400 405 I HA 0.262 4.432 4.170 -0.000 0.000 0.248 405 I C 1.093 177.330 176.117 0.200 0.000 1.109 405 I CA 1.238 62.666 61.300 0.214 0.000 1.425 405 I CB -0.646 37.454 38.000 0.167 0.000 1.094 405 I HN 0.769 nan 8.210 nan 0.000 0.425 406 G N 0.745 109.660 108.800 0.192 0.000 2.655 406 G HA2 0.474 4.434 3.960 -0.000 0.000 0.296 406 G HA3 0.474 4.434 3.960 -0.000 0.000 0.296 406 G C -1.186 173.814 174.900 0.166 0.000 1.485 406 G CA -0.608 44.602 45.100 0.182 0.000 0.869 406 G HN -0.035 nan 8.290 nan 0.000 0.540 407 I N 1.864 122.477 120.570 0.071 0.000 2.396 407 I HA 0.199 4.369 4.170 -0.000 0.000 0.289 407 I C 0.796 176.903 176.117 -0.016 0.000 1.056 407 I CA -0.445 60.795 61.300 -0.099 0.000 1.365 407 I CB 1.504 39.135 38.000 -0.615 0.000 1.407 407 I HN 0.509 nan 8.210 nan 0.000 0.509 408 E N 5.038 125.273 120.200 0.059 0.000 2.251 408 E HA 0.296 4.646 4.350 -0.000 0.000 0.194 408 E C 0.258 176.798 176.600 -0.100 0.000 0.964 408 E CA 0.259 56.725 56.400 0.109 0.000 0.868 408 E CB 0.708 30.576 29.700 0.280 0.000 0.828 408 E HN 0.691 nan 8.360 nan 0.000 0.481 409 A N 0.539 123.199 122.820 -0.267 0.000 2.612 409 A HA 0.642 4.962 4.320 -0.000 0.000 0.293 409 A C -1.943 175.554 177.584 -0.146 0.000 1.075 409 A CA -0.623 51.159 52.037 -0.426 0.000 0.680 409 A CB 1.434 19.581 19.000 -1.423 0.000 1.279 409 A HN 0.041 nan 8.150 nan 0.000 0.411 410 L N 1.056 122.240 121.223 -0.066 0.000 2.505 410 L HA 0.784 5.124 4.340 -0.000 0.000 0.266 410 L C -0.102 176.803 176.870 0.058 0.000 0.954 410 L CA 0.485 55.331 54.840 0.011 0.000 0.852 410 L CB 2.121 44.213 42.059 0.055 0.000 1.282 410 L HN 1.242 nan 8.230 nan 0.000 0.403 411 T N -0.385 114.219 114.554 0.084 0.000 2.907 411 T HA 0.439 4.789 4.350 -0.000 0.000 0.290 411 T C 0.922 175.673 174.700 0.086 0.000 1.066 411 T CA 0.010 62.172 62.100 0.103 0.000 1.012 411 T CB 1.357 70.318 68.868 0.155 0.000 1.184 411 T HN 0.657 nan 8.240 nan 0.000 0.522 412 S N -0.664 115.086 115.700 0.085 0.000 2.507 412 S HA -0.090 4.380 4.470 -0.000 0.000 0.235 412 S C 1.101 175.709 174.600 0.014 0.000 0.988 412 S CA 0.870 59.109 58.200 0.065 0.000 0.944 412 S CB -0.487 62.753 63.200 0.067 0.000 0.762 412 S HN 0.719 nan 8.310 nan 0.000 0.526 413 D N 0.102 120.522 120.400 0.033 0.000 2.355 413 D HA 0.203 4.843 4.640 -0.000 0.000 0.233 413 D C -0.277 175.874 176.300 -0.249 0.000 0.997 413 D CA 0.884 54.861 54.000 -0.038 0.000 0.920 413 D CB 0.262 41.185 40.800 0.204 0.000 1.063 413 D HN 0.393 nan 8.370 nan 0.000 0.465 414 Y N -0.555 119.676 120.300 -0.116 0.000 2.634 414 Y HA 0.450 5.000 4.550 -0.000 0.000 0.340 414 Y C -0.224 175.484 175.900 -0.321 0.000 1.058 414 Y CA -1.073 56.859 58.100 -0.280 0.000 1.081 414 Y CB 1.594 39.724 38.460 -0.550 0.000 1.295 414 Y HN -0.176 nan 8.280 nan 0.000 0.487 415 L N 2.585 123.679 121.223 -0.216 0.000 2.319 415 L HA 0.482 4.822 4.340 -0.000 0.000 0.281 415 L C -1.922 174.819 176.870 -0.216 0.000 1.005 415 L CA -0.736 53.966 54.840 -0.230 0.000 0.828 415 L CB 0.145 41.995 42.059 -0.350 0.000 1.227 415 L HN 0.646 nan 8.230 nan 0.000 0.415 416 Y N 5.924 126.151 120.300 -0.122 0.000 2.308 416 Y HA 0.526 5.076 4.550 -0.000 0.000 0.329 416 Y C -0.045 175.863 175.900 0.013 0.000 1.111 416 Y CA -0.122 57.907 58.100 -0.117 0.000 1.179 416 Y CB 1.221 39.540 38.460 -0.235 0.000 1.201 416 Y HN 0.575 nan 8.280 nan 0.000 0.483 417 Y N 0.029 120.400 120.300 0.118 0.000 2.638 417 Y HA 0.788 5.338 4.550 -0.000 0.000 0.335 417 Y C -1.863 174.129 175.900 0.153 0.000 1.155 417 Y CA -2.086 56.070 58.100 0.093 0.000 1.046 417 Y CB 0.955 39.434 38.460 0.031 0.000 1.303 417 Y HN 0.422 nan 8.280 nan 0.000 0.460 418 I N 2.823 123.621 120.570 0.379 0.000 2.562 418 I HA 0.751 4.921 4.170 -0.000 0.000 0.301 418 I C -0.390 175.940 176.117 0.354 0.000 1.003 418 I CA -0.596 60.868 61.300 0.274 0.000 1.127 418 I CB 2.167 40.263 38.000 0.159 0.000 1.304 418 I HN 0.908 nan 8.210 nan 0.000 0.446 419 S N 2.453 118.313 115.700 0.266 0.000 2.636 419 S HA 0.326 4.796 4.470 -0.000 0.000 0.268 419 S C -0.870 173.802 174.600 0.120 0.000 1.159 419 S CA -0.924 57.412 58.200 0.227 0.000 0.815 419 S CB 1.518 64.915 63.200 0.328 0.000 1.130 419 S HN 0.656 nan 8.310 nan 0.000 0.471 420 N N -0.219 118.553 118.700 0.121 0.000 2.380 420 N HA 0.150 4.890 4.740 -0.000 0.000 0.255 420 N C 0.542 176.053 175.510 0.001 0.000 1.158 420 N CA -0.092 52.985 53.050 0.045 0.000 0.878 420 N CB 0.314 38.813 38.487 0.019 0.000 1.138 420 N HN 0.835 nan 8.380 nan 0.000 0.509 421 E N -0.132 119.943 120.200 -0.209 0.000 2.072 421 E HA -0.192 4.158 4.350 -0.000 0.000 0.190 421 E C -0.301 176.162 176.600 -0.228 0.000 0.982 421 E CA 0.153 56.184 56.400 -0.615 0.000 0.803 421 E CB -0.125 28.579 29.700 -1.659 0.000 0.755 421 E HN 0.359 nan 8.360 nan 0.000 0.453 422 Y N 1.896 122.109 120.300 -0.145 0.000 2.805 422 Y HA -0.104 4.446 4.550 -0.000 0.000 0.331 422 Y C 0.339 176.204 175.900 -0.058 0.000 1.241 422 Y CA 0.767 58.829 58.100 -0.064 0.000 1.546 422 Y CB 0.204 38.654 38.460 -0.017 0.000 1.248 422 Y HN 0.106 nan 8.280 nan 0.000 0.559 423 K N 3.093 123.190 120.400 -0.505 0.000 3.274 423 K HA -0.225 4.095 4.320 -0.000 0.000 0.305 423 K C 0.867 177.397 176.600 -0.116 0.000 1.225 423 K CA 1.282 57.348 56.287 -0.368 0.000 0.904 423 K CB -1.727 30.538 32.500 -0.392 0.000 1.227 423 K HN 1.304 nan 8.250 nan 0.000 0.453 424 G N 0.248 108.994 108.800 -0.090 0.000 2.187 424 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.261 424 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.261 424 G C 0.060 174.962 174.900 0.004 0.000 1.000 424 G CA 0.919 46.015 45.100 -0.007 0.000 0.718 424 G HN 0.552 nan 8.290 nan 0.000 0.519 425 M N -1.000 118.529 119.600 -0.119 0.000 2.066 425 M HA 0.509 4.989 4.480 -0.000 0.000 0.340 425 M C -1.316 174.724 176.300 -0.433 0.000 1.053 425 M CA -2.261 52.768 55.300 -0.452 0.000 0.983 425 M CB 1.978 34.329 32.600 -0.414 0.000 1.520 425 M HN -0.091 nan 8.290 nan 0.000 0.428 426 P HA -0.082 nan 4.420 nan 0.000 0.223 426 P C 1.076 178.207 177.300 -0.281 0.000 1.144 426 P CA 1.560 64.481 63.100 -0.299 0.000 0.783 426 P CB -0.015 31.529 31.700 -0.260 0.000 0.771 427 G N -0.554 108.012 108.800 -0.390 0.000 3.088 427 G HA2 0.279 4.239 3.960 -0.000 0.000 0.212 427 G HA3 0.279 4.239 3.960 -0.000 0.000 0.212 427 G C 0.647 175.548 174.900 0.003 0.000 1.173 427 G CA 0.093 45.093 45.100 -0.167 0.000 0.779 427 G HN 0.445 nan 8.290 nan 0.000 0.540 428 G N -0.082 108.668 108.800 -0.084 0.000 2.448 428 G HA2 0.623 4.583 3.960 -0.000 0.000 0.324 428 G HA3 0.623 4.583 3.960 -0.000 0.000 0.324 428 G C -0.885 173.909 174.900 -0.177 0.000 1.203 428 G CA -0.747 44.340 45.100 -0.022 0.000 0.954 428 G HN 0.039 nan 8.290 nan 0.000 0.480 429 R N 1.336 121.654 120.500 -0.303 0.000 2.599 429 R HA 0.537 4.877 4.340 -0.000 0.000 0.295 429 R C -0.955 175.326 176.300 -0.031 0.000 0.963 429 R CA -0.916 55.005 56.100 -0.299 0.000 0.883 429 R CB 1.870 31.750 30.300 -0.701 0.000 1.171 429 R HN 0.585 nan 8.270 nan 0.000 0.450 430 N N 1.393 120.102 118.700 0.015 0.000 2.331 430 N HA 0.272 5.012 4.740 -0.000 0.000 0.280 430 N C -1.371 174.087 175.510 -0.087 0.000 1.155 430 N CA -0.777 52.211 53.050 -0.103 0.000 0.822 430 N CB 2.714 41.049 38.487 -0.253 0.000 1.619 430 N HN 0.243 nan 8.380 nan 0.000 0.476 431 L N 2.225 123.237 121.223 -0.352 0.000 2.292 431 L HA 0.519 4.859 4.340 -0.000 0.000 0.284 431 L C -1.419 175.170 176.870 -0.468 0.000 1.065 431 L CA 0.093 54.768 54.840 -0.275 0.000 0.806 431 L CB -0.069 41.798 42.059 -0.320 0.000 1.175 431 L HN 0.413 nan 8.230 nan 0.000 0.431 432 Y N 3.148 123.138 120.300 -0.517 0.000 2.634 432 Y HA 0.684 5.234 4.550 -0.000 0.000 0.340 432 Y C -0.564 174.977 175.900 -0.598 0.000 1.058 432 Y CA -1.056 56.670 58.100 -0.623 0.000 1.081 432 Y CB 1.642 39.554 38.460 -0.914 0.000 1.295 432 Y HN 0.582 nan 8.280 nan 0.000 0.487 433 K N 1.166 121.382 120.400 -0.308 0.000 2.498 433 K HA 0.775 5.095 4.320 -0.000 0.000 0.254 433 K C -2.012 174.519 176.600 -0.115 0.000 0.933 433 K CA -0.720 55.320 56.287 -0.412 0.000 0.806 433 K CB 2.923 34.952 32.500 -0.785 0.000 1.301 433 K HN 0.734 nan 8.250 nan 0.000 0.432 434 I N 2.216 122.792 120.570 0.010 0.000 2.465 434 I HA 0.156 4.326 4.170 -0.000 0.000 0.291 434 I C -0.721 175.455 176.117 0.098 0.000 1.014 434 I CA -0.836 60.543 61.300 0.133 0.000 1.093 434 I CB 2.069 40.171 38.000 0.170 0.000 1.267 434 I HN 0.878 nan 8.210 nan 0.000 0.431 435 Q N 5.550 125.373 119.800 0.039 0.000 2.271 435 Q HA 0.041 4.381 4.340 -0.000 0.000 0.273 435 Q C 0.135 176.024 176.000 -0.184 0.000 1.051 435 Q CA -0.297 55.292 55.803 -0.358 0.000 0.901 435 Q CB 1.102 29.685 28.738 -0.259 0.000 1.174 435 Q HN 0.758 nan 8.270 nan 0.000 0.385 436 L N 3.373 124.431 121.223 -0.274 0.000 2.079 436 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 436 L C 2.067 178.832 176.870 -0.175 0.000 1.081 436 L CA 1.721 56.511 54.840 -0.083 0.000 0.752 436 L CB -0.665 41.317 42.059 -0.129 0.000 0.896 436 L HN 0.688 nan 8.230 nan 0.000 0.433 437 S N -1.560 113.985 115.700 -0.257 0.000 2.387 437 S HA -0.098 4.371 4.470 -0.000 0.000 0.226 437 S C 0.632 175.024 174.600 -0.347 0.000 1.026 437 S CA 0.945 58.981 58.200 -0.272 0.000 0.972 437 S CB -0.131 62.943 63.200 -0.210 0.000 0.814 437 S HN 0.453 nan 8.310 nan 0.000 0.477 438 D N -0.563 119.663 120.400 -0.290 0.000 2.402 438 D HA 0.303 4.943 4.640 -0.000 0.000 0.252 438 D C -0.292 175.953 176.300 -0.091 0.000 1.294 438 D CA -0.543 53.309 54.000 -0.247 0.000 0.948 438 D CB 0.319 41.038 40.800 -0.137 0.000 1.202 438 D HN -0.072 nan 8.370 nan 0.000 0.561 439 Y N 1.503 121.766 120.300 -0.061 0.000 2.651 439 Y HA -0.007 4.543 4.550 -0.000 0.000 0.296 439 Y C 2.347 178.244 175.900 -0.006 0.000 1.150 439 Y CA 0.559 58.638 58.100 -0.035 0.000 1.348 439 Y CB -0.644 37.796 38.460 -0.033 0.000 0.983 439 Y HN 0.372 nan 8.280 nan 0.000 0.555 440 T N -0.393 114.228 114.554 0.111 0.000 3.067 440 T HA 0.001 4.351 4.350 -0.000 0.000 0.261 440 T C 0.731 175.473 174.700 0.070 0.000 1.110 440 T CA 0.412 62.558 62.100 0.076 0.000 1.113 440 T CB -0.134 68.753 68.868 0.032 0.000 0.917 440 T HN 0.152 nan 8.240 nan 0.000 0.499 441 K N 2.051 122.492 120.400 0.069 0.000 2.231 441 K HA 0.405 4.725 4.320 -0.000 0.000 0.255 441 K C -1.098 175.564 176.600 0.104 0.000 1.108 441 K CA -0.207 56.122 56.287 0.070 0.000 0.997 441 K CB 1.411 33.941 32.500 0.049 0.000 1.549 441 K HN 0.011 nan 8.250 nan 0.000 0.419 442 V N 2.779 122.756 119.914 0.105 0.000 2.384 442 V HA 0.335 4.455 4.120 -0.000 0.000 0.287 442 V C -0.804 175.339 176.094 0.081 0.000 1.020 442 V CA -0.120 62.253 62.300 0.122 0.000 0.850 442 V CB 1.686 33.612 31.823 0.171 0.000 0.987 442 V HN 0.578 nan 8.190 nan 0.000 0.436 443 T N 6.230 120.797 114.554 0.022 0.000 2.779 443 T HA 0.293 4.643 4.350 -0.000 0.000 0.280 443 T C -0.343 174.247 174.700 -0.184 0.000 0.987 443 T CA -0.247 61.813 62.100 -0.067 0.000 0.966 443 T CB 0.995 69.802 68.868 -0.102 0.000 0.933 443 T HN 0.863 nan 8.240 nan 0.000 0.442 444 C N 4.941 124.054 119.300 -0.311 0.000 2.514 444 C HA 0.422 4.882 4.460 -0.000 0.000 0.392 444 C C 1.566 176.224 174.990 -0.553 0.000 1.294 444 C CA -0.541 58.028 59.018 -0.747 0.000 1.957 444 C CB -1.632 25.551 27.740 -0.929 0.000 2.541 444 C HN 0.991 nan 8.230 nan 0.000 0.569 445 L N 4.664 125.539 121.223 -0.581 0.000 2.554 445 L HA 0.137 4.477 4.340 -0.000 0.000 0.225 445 L C 1.993 178.562 176.870 -0.501 0.000 1.104 445 L CA 0.660 55.246 54.840 -0.424 0.000 0.866 445 L CB -0.225 41.633 42.059 -0.335 0.000 1.047 445 L HN 0.864 nan 8.230 nan 0.000 0.468 446 S N -3.339 111.941 115.700 -0.701 0.000 2.649 446 S HA 0.005 4.475 4.470 -0.000 0.000 0.246 446 S C 1.740 175.918 174.600 -0.704 0.000 1.057 446 S CA -0.107 57.582 58.200 -0.852 0.000 1.051 446 S CB -0.313 61.931 63.200 -1.593 0.000 1.018 446 S HN 0.277 nan 8.310 nan 0.000 0.569 447 C N 2.139 120.977 119.300 -0.770 0.000 2.385 447 C HA -0.066 4.394 4.460 -0.000 0.000 0.275 447 C C 2.684 177.384 174.990 -0.484 0.000 1.207 447 C CA 1.749 60.214 59.018 -0.923 0.000 1.760 447 C CB -1.032 25.936 27.740 -1.287 0.000 2.051 447 C HN 0.640 nan 8.230 nan 0.000 0.467 448 E N -0.118 119.892 120.200 -0.317 0.000 2.415 448 E HA 0.134 4.484 4.350 -0.000 0.000 0.197 448 E C 1.997 178.554 176.600 -0.071 0.000 1.007 448 E CA 0.021 56.343 56.400 -0.131 0.000 0.890 448 E CB -0.283 29.355 29.700 -0.102 0.000 0.891 448 E HN 0.536 nan 8.360 nan 0.000 0.496 449 L N 0.512 121.680 121.223 -0.092 0.000 2.123 449 L HA -0.221 4.119 4.340 -0.000 0.000 0.217 449 L C 0.928 177.812 176.870 0.024 0.000 1.081 449 L CA 1.288 56.118 54.840 -0.017 0.000 0.772 449 L CB -0.254 41.813 42.059 0.013 0.000 0.890 449 L HN 0.167 nan 8.230 nan 0.000 0.437 450 N N -1.893 116.835 118.700 0.046 0.000 3.211 450 N HA 0.044 4.784 4.740 -0.000 0.000 0.183 450 N C -2.119 173.427 175.510 0.060 0.000 1.447 450 N CA -0.580 52.496 53.050 0.043 0.000 0.840 450 N CB 0.545 39.052 38.487 0.033 0.000 1.611 450 N HN -0.164 nan 8.380 nan 0.000 0.610 451 P HA -0.129 nan 4.420 nan 0.000 0.222 451 P C 0.599 177.949 177.300 0.085 0.000 1.142 451 P CA 1.169 64.336 63.100 0.110 0.000 0.788 451 P CB 0.631 32.409 31.700 0.130 0.000 0.767 452 E N -0.326 119.902 120.200 0.047 0.000 2.166 452 E HA -0.040 4.310 4.350 -0.000 0.000 0.192 452 E C 2.237 178.842 176.600 0.008 0.000 0.967 452 E CA 0.418 56.835 56.400 0.028 0.000 0.840 452 E CB -0.041 29.668 29.700 0.014 0.000 0.795 452 E HN 0.289 nan 8.360 nan 0.000 0.470 453 R N 0.048 120.542 120.500 -0.009 0.000 2.254 453 R HA 0.115 4.455 4.340 -0.000 0.000 0.193 453 R C -0.095 176.161 176.300 -0.073 0.000 0.929 453 R CA 0.304 56.374 56.100 -0.050 0.000 1.038 453 R CB 0.562 30.820 30.300 -0.070 0.000 1.009 453 R HN -0.007 nan 8.270 nan 0.000 0.512 454 c N 1.146 119.719 118.600 -0.045 0.000 2.346 454 c HA 0.437 5.007 4.570 -0.000 0.000 0.326 454 c C 0.081 174.183 174.090 0.019 0.000 1.224 454 c CA -0.663 55.593 56.329 -0.123 0.000 1.408 454 c CB 1.539 43.920 42.510 -0.215 0.000 2.089 454 c HN 0.522 nan 8.230 nan 0.000 0.456 455 Q N 0.504 120.307 119.800 0.004 0.000 2.081 455 Q HA 0.161 4.501 4.340 -0.000 0.000 0.220 455 Q C -1.000 175.094 176.000 0.157 0.000 0.775 455 Q CA 0.059 55.947 55.803 0.141 0.000 0.983 455 Q CB 1.442 30.264 28.738 0.139 0.000 1.188 455 Q HN 0.792 nan 8.270 nan 0.000 0.458 456 Y N 0.506 120.732 120.300 -0.123 0.000 2.349 456 Y HA 0.403 4.953 4.550 -0.000 0.000 0.324 456 Y C -1.500 174.273 175.900 -0.213 0.000 1.005 456 Y CA -0.993 57.052 58.100 -0.092 0.000 1.240 456 Y CB 0.842 39.243 38.460 -0.099 0.000 1.117 456 Y HN -0.092 nan 8.280 nan 0.000 0.463 457 Y N 2.005 122.238 120.300 -0.113 0.000 2.587 457 Y HA 0.712 5.262 4.550 -0.000 0.000 0.337 457 Y C -0.007 175.851 175.900 -0.070 0.000 1.065 457 Y CA -0.729 57.327 58.100 -0.074 0.000 1.126 457 Y CB 2.354 40.743 38.460 -0.118 0.000 1.279 457 Y HN 0.493 nan 8.280 nan 0.000 0.489 458 S N 0.342 116.146 115.700 0.173 0.000 2.564 458 S HA 0.830 5.299 4.470 -0.000 0.000 0.274 458 S C -1.817 172.862 174.600 0.133 0.000 1.124 458 S CA -0.769 57.513 58.200 0.137 0.000 0.869 458 S CB 1.718 65.004 63.200 0.145 0.000 1.105 458 S HN 0.661 nan 8.310 nan 0.000 0.472 459 V N 0.760 120.754 119.914 0.134 0.000 3.007 459 V HA 0.877 4.997 4.120 -0.000 0.000 0.311 459 V C -1.097 175.093 176.094 0.159 0.000 1.120 459 V CA -0.266 62.088 62.300 0.090 0.000 0.980 459 V CB 2.327 34.134 31.823 -0.028 0.000 1.033 459 V HN 1.202 nan 8.190 nan 0.000 0.429 460 S N 5.319 121.104 115.700 0.141 0.000 2.745 460 S HA 0.624 5.093 4.470 -0.000 0.000 0.283 460 S C -0.991 173.808 174.600 0.331 0.000 1.170 460 S CA -0.430 57.957 58.200 0.311 0.000 1.119 460 S CB 0.118 63.541 63.200 0.371 0.000 1.035 460 S HN 0.492 nan 8.310 nan 0.000 0.483 461 F N 2.934 122.969 119.950 0.141 0.000 2.406 461 F HA 0.399 4.926 4.527 -0.000 0.000 0.327 461 F C 1.583 176.989 175.800 -0.656 0.000 1.153 461 F CA -0.203 57.717 58.000 -0.133 0.000 1.218 461 F CB 0.897 39.781 39.000 -0.194 0.000 1.215 461 F HN 0.604 nan 8.300 nan 0.000 0.570 462 S N 1.402 116.528 115.700 -0.957 0.000 2.641 462 S HA 0.192 4.662 4.470 -0.000 0.000 0.261 462 S C 1.191 175.507 174.600 -0.473 0.000 1.257 462 S CA -0.828 56.473 58.200 -1.498 0.000 0.983 462 S CB 0.654 63.072 63.200 -1.302 0.000 0.990 462 S HN 0.494 nan 8.310 nan 0.000 0.572 463 K N 0.802 121.062 120.400 -0.232 0.000 2.059 463 K HA -0.079 4.241 4.320 -0.000 0.000 0.212 463 K C 1.016 177.596 176.600 -0.032 0.000 1.050 463 K CA 1.530 57.797 56.287 -0.033 0.000 0.927 463 K CB -0.416 32.120 32.500 0.059 0.000 0.714 463 K HN 0.631 nan 8.250 nan 0.000 0.447 464 E N -0.995 119.163 120.200 -0.070 0.000 2.569 464 E HA 0.231 4.581 4.350 -0.000 0.000 0.205 464 E C -0.150 176.407 176.600 -0.073 0.000 1.006 464 E CA 0.063 56.438 56.400 -0.043 0.000 0.985 464 E CB 0.645 30.336 29.700 -0.016 0.000 1.060 464 E HN 0.234 nan 8.360 nan 0.000 0.460 465 A N 1.202 123.962 122.820 -0.100 0.000 2.925 465 A HA -0.296 4.024 4.320 -0.000 0.000 0.265 465 A C 1.449 178.988 177.584 -0.075 0.000 1.419 465 A CA 1.566 53.571 52.037 -0.053 0.000 0.807 465 A CB -2.108 16.794 19.000 -0.163 0.000 1.043 465 A HN 0.258 nan 8.150 nan 0.000 0.600 466 K N -1.814 118.474 120.400 -0.186 0.000 2.167 466 K HA 0.159 4.479 4.320 -0.000 0.000 0.203 466 K C 0.289 176.534 176.600 -0.592 0.000 1.052 466 K CA 1.424 57.485 56.287 -0.376 0.000 0.956 466 K CB 0.031 32.257 32.500 -0.456 0.000 0.735 466 K HN 0.683 nan 8.250 nan 0.000 0.451 467 Y N -1.334 118.871 120.300 -0.159 0.000 2.665 467 Y HA 0.348 4.898 4.550 -0.000 0.000 0.336 467 Y C -1.138 174.704 175.900 -0.096 0.000 1.085 467 Y CA -1.284 56.746 58.100 -0.116 0.000 1.096 467 Y CB 1.744 40.166 38.460 -0.063 0.000 1.301 467 Y HN -0.020 nan 8.280 nan 0.000 0.493 468 Y N -1.079 119.221 120.300 0.000 0.000 2.474 468 Y HA 0.383 4.933 4.550 -0.000 0.000 0.326 468 Y C -1.473 174.430 175.900 0.006 0.000 1.160 468 Y CA -1.407 56.544 58.100 -0.250 0.000 1.056 468 Y CB 1.071 38.867 38.460 -1.108 0.000 1.330 468 Y HN 0.598 nan 8.280 nan 0.000 0.447 469 Q N 4.664 124.569 119.800 0.174 0.000 2.290 469 Q HA 0.592 4.932 4.340 -0.000 0.000 0.259 469 Q C -1.659 174.399 176.000 0.096 0.000 0.941 469 Q CA -0.690 55.170 55.803 0.095 0.000 0.912 469 Q CB 1.288 30.045 28.738 0.031 0.000 1.244 469 Q HN 0.963 nan 8.270 nan 0.000 0.441 470 L N 3.991 125.276 121.223 0.103 0.000 2.325 470 L HA 0.541 4.881 4.340 -0.000 0.000 0.279 470 L C -0.123 176.785 176.870 0.063 0.000 1.054 470 L CA -0.592 54.315 54.840 0.113 0.000 0.804 470 L CB 1.338 43.467 42.059 0.117 0.000 1.200 470 L HN 0.605 nan 8.230 nan 0.000 0.436 471 R N 1.913 122.430 120.500 0.030 0.000 2.435 471 R HA 0.330 4.670 4.340 -0.000 0.000 0.308 471 R C -1.174 174.955 176.300 -0.285 0.000 0.975 471 R CA -0.477 55.468 56.100 -0.259 0.000 0.867 471 R CB 1.673 31.879 30.300 -0.157 0.000 1.171 471 R HN 0.618 nan 8.270 nan 0.000 0.470 472 c N 2.888 121.189 118.600 -0.498 0.000 2.285 472 c HA 0.392 4.962 4.570 -0.000 0.000 0.335 472 c C 1.316 175.173 174.090 -0.389 0.000 1.267 472 c CA -0.347 55.600 56.329 -0.636 0.000 1.762 472 c CB 0.097 42.157 42.510 -0.750 0.000 2.365 472 c HN 0.966 nan 8.230 nan 0.000 0.527 473 S N 3.777 119.344 115.700 -0.222 0.000 2.602 473 S HA 0.622 5.092 4.470 -0.000 0.000 0.240 473 S C 0.421 174.968 174.600 -0.088 0.000 0.992 473 S CA 0.201 58.328 58.200 -0.120 0.000 0.971 473 S CB -0.005 63.154 63.200 -0.068 0.000 0.855 473 S HN 1.900 nan 8.310 nan 0.000 0.481 474 G N 1.815 110.548 108.800 -0.111 0.000 2.321 474 G HA2 0.362 4.322 3.960 -0.000 0.000 0.298 474 G HA3 0.362 4.322 3.960 -0.000 0.000 0.298 474 G C -3.049 171.822 174.900 -0.049 0.000 1.385 474 G CA -0.567 44.504 45.100 -0.048 0.000 0.856 474 G HN -0.118 nan 8.290 nan 0.000 0.584 475 P HA 0.133 nan 4.420 nan 0.000 0.236 475 P C 1.274 178.583 177.300 0.014 0.000 1.177 475 P CA 1.257 64.373 63.100 0.026 0.000 0.773 475 P CB 0.424 32.142 31.700 0.030 0.000 0.878 476 G N 0.470 109.216 108.800 -0.091 0.000 2.535 476 G HA2 0.396 4.356 3.960 -0.000 0.000 0.282 476 G HA3 0.396 4.356 3.960 -0.000 0.000 0.282 476 G C -0.298 174.342 174.900 -0.433 0.000 1.350 476 G CA -0.742 44.228 45.100 -0.216 0.000 1.039 476 G HN 0.044 nan 8.290 nan 0.000 0.509 477 L N 1.194 122.075 121.223 -0.569 0.000 2.456 477 L HA 0.159 4.499 4.340 -0.000 0.000 0.272 477 L C -1.847 174.836 176.870 -0.312 0.000 1.189 477 L CA -1.266 53.187 54.840 -0.645 0.000 0.846 477 L CB 0.686 42.465 42.059 -0.467 0.000 1.111 477 L HN 0.239 nan 8.230 nan 0.000 0.475 478 P HA -0.038 nan 4.420 nan 0.000 0.263 478 P C -0.956 176.282 177.300 -0.104 0.000 1.175 478 P CA 0.146 63.169 63.100 -0.129 0.000 0.761 478 P CB 0.462 32.188 31.700 0.043 0.000 0.794 479 L N 5.400 126.478 121.223 -0.243 0.000 2.409 479 L HA 0.482 4.822 4.340 -0.000 0.000 0.272 479 L C -1.783 174.928 176.870 -0.265 0.000 0.980 479 L CA -0.753 54.004 54.840 -0.137 0.000 0.826 479 L CB 0.957 42.943 42.059 -0.122 0.000 1.268 479 L HN 0.207 nan 8.230 nan 0.000 0.407 480 Y N 2.773 123.026 120.300 -0.079 0.000 2.331 480 Y HA 0.751 5.301 4.550 -0.000 0.000 0.338 480 Y C 0.529 176.318 175.900 -0.185 0.000 0.992 480 Y CA -0.477 57.554 58.100 -0.113 0.000 1.121 480 Y CB 2.024 40.399 38.460 -0.143 0.000 1.184 480 Y HN 0.689 nan 8.280 nan 0.000 0.469 481 T N 1.536 116.082 114.554 -0.015 0.000 2.906 481 T HA 0.713 5.063 4.350 -0.000 0.000 0.295 481 T C -1.302 173.324 174.700 -0.123 0.000 1.061 481 T CA -0.917 61.126 62.100 -0.095 0.000 1.000 481 T CB 1.795 70.675 68.868 0.021 0.000 1.103 481 T HN 0.603 nan 8.240 nan 0.000 0.486 482 L N 1.524 122.545 121.223 -0.337 0.000 2.346 482 L HA 0.719 5.059 4.340 -0.000 0.000 0.274 482 L C -1.176 175.353 176.870 -0.569 0.000 1.007 482 L CA -0.787 53.888 54.840 -0.275 0.000 0.818 482 L CB 1.587 43.505 42.059 -0.234 0.000 1.284 482 L HN 0.906 nan 8.230 nan 0.000 0.424 483 H N 0.403 119.210 119.070 -0.438 0.000 2.949 483 H HA 0.509 5.065 4.556 -0.000 0.000 0.356 483 H C -0.781 174.317 175.328 -0.385 0.000 1.212 483 H CA -0.746 54.969 56.048 -0.555 0.000 1.136 483 H CB 1.959 31.062 29.762 -1.099 0.000 1.869 483 H HN 0.450 nan 8.280 nan 0.000 0.556 484 S N -0.280 115.345 115.700 -0.124 0.000 2.449 484 S HA 0.299 4.769 4.470 -0.000 0.000 0.310 484 S C 0.326 174.907 174.600 -0.031 0.000 1.096 484 S CA -0.707 57.419 58.200 -0.124 0.000 1.095 484 S CB 1.676 64.822 63.200 -0.089 0.000 1.007 484 S HN 0.550 nan 8.310 nan 0.000 0.474 485 S N 2.350 118.051 115.700 0.002 0.000 2.368 485 S HA -0.145 4.325 4.470 -0.000 0.000 0.225 485 S C 2.096 176.720 174.600 0.040 0.000 1.030 485 S CA 1.187 59.472 58.200 0.142 0.000 0.999 485 S CB -0.654 62.589 63.200 0.072 0.000 0.844 485 S HN 0.789 nan 8.310 nan 0.000 0.459 486 V N 2.482 122.372 119.914 -0.040 0.000 2.242 486 V HA -0.355 3.765 4.120 -0.000 0.000 0.257 486 V C 0.940 177.030 176.094 -0.007 0.000 1.073 486 V CA 2.640 64.926 62.300 -0.024 0.000 1.058 486 V CB -0.528 31.267 31.823 -0.047 0.000 0.664 486 V HN 0.642 nan 8.190 nan 0.000 0.451 487 N N -1.470 117.227 118.700 -0.005 0.000 2.160 487 N HA 0.169 4.909 4.740 -0.000 0.000 0.226 487 N C -0.643 174.872 175.510 0.009 0.000 1.256 487 N CA 0.443 53.492 53.050 -0.002 0.000 0.890 487 N CB 0.559 39.046 38.487 0.000 0.000 1.116 487 N HN 0.505 nan 8.380 nan 0.000 0.517 488 D N 1.537 121.964 120.400 0.044 0.000 2.716 488 D HA -0.145 4.495 4.640 -0.000 0.000 0.239 488 D C -0.587 175.757 176.300 0.072 0.000 1.125 488 D CA 1.143 55.205 54.000 0.104 0.000 0.681 488 D CB -0.784 40.060 40.800 0.074 0.000 1.070 488 D HN 0.412 nan 8.370 nan 0.000 0.432 489 K N 0.257 120.676 120.400 0.032 0.000 2.143 489 K HA 0.498 4.818 4.320 -0.000 0.000 0.272 489 K C 0.964 177.533 176.600 -0.051 0.000 1.001 489 K CA -0.456 55.833 56.287 0.003 0.000 0.915 489 K CB 1.399 33.891 32.500 -0.013 0.000 1.047 489 K HN 0.103 nan 8.250 nan 0.000 0.458 490 G N 2.239 110.980 108.800 -0.099 0.000 2.380 490 G HA2 0.187 4.147 3.960 -0.000 0.000 0.262 490 G HA3 0.187 4.147 3.960 -0.000 0.000 0.262 490 G C 0.638 175.381 174.900 -0.263 0.000 1.243 490 G CA -0.430 44.451 45.100 -0.364 0.000 0.865 490 G HN 0.566 nan 8.290 nan 0.000 0.513 491 L N 1.438 122.471 121.223 -0.316 0.000 2.316 491 L HA 0.348 4.688 4.340 -0.000 0.000 0.207 491 L C 1.451 178.225 176.870 -0.161 0.000 1.070 491 L CA 0.509 55.249 54.840 -0.167 0.000 0.820 491 L CB -0.236 41.754 42.059 -0.114 0.000 0.992 491 L HN 0.771 nan 8.230 nan 0.000 0.466 492 R N -2.038 118.324 120.500 -0.230 0.000 2.993 492 R HA 0.356 4.696 4.340 -0.000 0.000 0.288 492 R C -1.669 174.495 176.300 -0.226 0.000 0.982 492 R CA -0.940 55.050 56.100 -0.184 0.000 0.832 492 R CB 1.033 31.251 30.300 -0.136 0.000 1.340 492 R HN -0.284 nan 8.270 nan 0.000 0.516 493 V N 2.318 122.125 119.914 -0.179 0.000 2.439 493 V HA 0.256 4.376 4.120 -0.000 0.000 0.282 493 V C 1.219 177.167 176.094 -0.243 0.000 1.039 493 V CA -0.556 61.637 62.300 -0.179 0.000 0.913 493 V CB 1.286 33.044 31.823 -0.108 0.000 0.983 493 V HN 0.624 nan 8.190 nan 0.000 0.460 494 L N 2.130 123.131 121.223 -0.370 0.000 2.253 494 L HA 0.348 4.688 4.340 -0.000 0.000 0.205 494 L C 0.642 177.312 176.870 -0.333 0.000 1.078 494 L CA 0.637 55.072 54.840 -0.676 0.000 0.805 494 L CB 0.226 41.336 42.059 -1.582 0.000 0.963 494 L HN 0.674 nan 8.230 nan 0.000 0.459 495 E N 0.016 120.137 120.200 -0.131 0.000 2.343 495 E HA 0.111 4.461 4.350 -0.000 0.000 0.286 495 E C -1.240 175.421 176.600 0.103 0.000 0.915 495 E CA -0.360 56.064 56.400 0.040 0.000 0.784 495 E CB 1.254 30.994 29.700 0.067 0.000 1.251 495 E HN 0.174 nan 8.360 nan 0.000 0.407 496 D N 2.673 123.107 120.400 0.055 0.000 2.469 496 D HA 0.163 4.803 4.640 -0.000 0.000 0.213 496 D C -0.287 176.026 176.300 0.023 0.000 1.135 496 D CA -0.208 53.811 54.000 0.031 0.000 0.834 496 D CB 0.037 40.834 40.800 -0.006 0.000 1.009 496 D HN 0.429 nan 8.370 nan 0.000 0.507 497 N N 0.378 119.106 118.700 0.047 0.000 2.735 497 N HA -0.216 4.523 4.740 -0.000 0.000 0.248 497 N C 0.986 176.501 175.510 0.009 0.000 1.083 497 N CA 0.923 53.994 53.050 0.035 0.000 0.703 497 N CB -1.372 37.127 38.487 0.021 0.000 1.005 497 N HN 0.496 nan 8.380 nan 0.000 0.550 498 S N -0.902 114.805 115.700 0.011 0.000 2.382 498 S HA -0.044 4.426 4.470 -0.000 0.000 0.228 498 S C 2.142 176.755 174.600 0.021 0.000 1.027 498 S CA 0.995 59.199 58.200 0.005 0.000 0.991 498 S CB -0.208 62.996 63.200 0.007 0.000 0.823 498 S HN 0.505 nan 8.310 nan 0.000 0.469 499 A N 2.056 124.898 122.820 0.036 0.000 1.892 499 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 499 A C 2.268 179.894 177.584 0.069 0.000 1.188 499 A CA 1.826 53.894 52.037 0.051 0.000 0.631 499 A CB -0.958 18.076 19.000 0.056 0.000 0.822 499 A HN 0.557 nan 8.150 nan 0.000 0.447 500 L N 0.015 121.281 121.223 0.072 0.000 2.056 500 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 500 L C 1.942 178.847 176.870 0.058 0.000 1.078 500 L CA 2.669 57.569 54.840 0.100 0.000 0.749 500 L CB -0.680 41.441 42.059 0.102 0.000 0.901 500 L HN 0.439 nan 8.230 nan 0.000 0.433 501 D N -0.464 119.942 120.400 0.010 0.000 2.123 501 D HA -0.214 4.426 4.640 -0.000 0.000 0.196 501 D C 1.922 178.226 176.300 0.006 0.000 0.992 501 D CA 1.188 55.176 54.000 -0.020 0.000 0.833 501 D CB 0.121 40.898 40.800 -0.039 0.000 0.954 501 D HN 0.212 nan 8.370 nan 0.000 0.455 502 K N -0.163 120.254 120.400 0.027 0.000 2.097 502 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 502 K C 2.344 178.980 176.600 0.061 0.000 1.050 502 K CA 0.573 56.882 56.287 0.038 0.000 0.938 502 K CB -0.479 32.046 32.500 0.041 0.000 0.718 502 K HN 0.360 nan 8.250 nan 0.000 0.442 503 M N 0.380 120.037 119.600 0.095 0.000 2.132 503 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 503 M C 2.014 178.374 176.300 0.101 0.000 1.065 503 M CA 1.339 56.738 55.300 0.165 0.000 1.122 503 M CB -0.178 32.597 32.600 0.293 0.000 1.365 503 M HN 0.001 nan 8.290 nan 0.000 0.411 504 L N 0.049 121.272 121.223 -0.000 0.000 2.478 504 L HA -0.151 4.189 4.340 -0.000 0.000 0.223 504 L C 2.401 179.239 176.870 -0.053 0.000 1.140 504 L CA 0.565 55.336 54.840 -0.114 0.000 0.842 504 L CB -0.553 41.435 42.059 -0.119 0.000 0.953 504 L HN 0.449 nan 8.230 nan 0.000 0.452 505 Q N -0.964 118.831 119.800 -0.009 0.000 2.472 505 Q HA -0.062 4.278 4.340 -0.000 0.000 0.208 505 Q C 0.721 176.733 176.000 0.020 0.000 0.958 505 Q CA 0.697 56.502 55.803 0.002 0.000 0.932 505 Q CB -0.143 28.601 28.738 0.009 0.000 1.007 505 Q HN 0.437 nan 8.270 nan 0.000 0.508 506 N N 1.032 119.752 118.700 0.034 0.000 2.251 506 N HA 0.121 4.861 4.740 -0.000 0.000 0.217 506 N C -0.647 174.899 175.510 0.061 0.000 1.124 506 N CA 0.181 53.265 53.050 0.057 0.000 0.843 506 N CB 1.741 40.278 38.487 0.083 0.000 1.024 506 N HN 0.188 nan 8.380 nan 0.000 0.501 507 V N -0.163 119.766 119.914 0.025 0.000 2.971 507 V HA 0.280 4.400 4.120 -0.000 0.000 0.309 507 V C -1.083 175.011 176.094 -0.000 0.000 1.130 507 V CA -0.816 61.500 62.300 0.026 0.000 0.964 507 V CB 2.477 34.298 31.823 -0.003 0.000 1.029 507 V HN -0.042 nan 8.190 nan 0.000 0.427 508 Q N 5.892 125.700 119.800 0.013 0.000 2.664 508 Q HA 0.328 4.668 4.340 -0.000 0.000 0.223 508 Q C -0.343 175.622 176.000 -0.058 0.000 1.298 508 Q CA -0.227 55.555 55.803 -0.036 0.000 0.965 508 Q CB 0.438 29.148 28.738 -0.047 0.000 1.510 508 Q HN 0.634 nan 8.270 nan 0.000 0.567 509 M N 3.346 122.900 119.600 -0.077 0.000 2.243 509 M HA 0.271 4.751 4.480 -0.000 0.000 0.341 509 M C -1.845 174.380 176.300 -0.125 0.000 1.130 509 M CA -2.126 53.110 55.300 -0.106 0.000 1.162 509 M CB -0.278 32.258 32.600 -0.107 0.000 1.497 509 M HN 0.267 nan 8.290 nan 0.000 0.456 510 P HA 0.228 nan 4.420 nan 0.000 0.277 510 P C -0.761 176.447 177.300 -0.152 0.000 1.271 510 P CA -0.351 62.648 63.100 -0.167 0.000 0.795 510 P CB 0.580 32.165 31.700 -0.190 0.000 1.101 511 S N -1.046 114.552 115.700 -0.171 0.000 2.704 511 S HA 0.609 5.079 4.470 -0.000 0.000 0.305 511 S C -0.555 173.944 174.600 -0.169 0.000 1.107 511 S CA -0.802 57.315 58.200 -0.139 0.000 0.993 511 S CB 1.807 64.933 63.200 -0.123 0.000 1.110 511 S HN 0.528 nan 8.310 nan 0.000 0.534 512 K N 0.635 120.962 120.400 -0.121 0.000 2.463 512 K HA 0.382 4.702 4.320 -0.000 0.000 0.255 512 K C -1.413 175.135 176.600 -0.088 0.000 0.942 512 K CA -0.487 55.730 56.287 -0.116 0.000 0.814 512 K CB 1.363 33.815 32.500 -0.080 0.000 1.122 512 K HN 0.743 nan 8.250 nan 0.000 0.425 513 K N 6.134 126.472 120.400 -0.102 0.000 2.265 513 K HA 0.299 4.618 4.320 -0.000 0.000 0.267 513 K C -1.239 175.332 176.600 -0.049 0.000 0.994 513 K CA -0.666 55.581 56.287 -0.066 0.000 0.860 513 K CB 0.971 33.423 32.500 -0.081 0.000 1.099 513 K HN 0.573 nan 8.250 nan 0.000 0.448 514 L N 4.531 125.742 121.223 -0.020 0.000 2.287 514 L HA 0.423 4.763 4.340 -0.000 0.000 0.287 514 L C -0.988 175.886 176.870 0.006 0.000 1.022 514 L CA -0.019 54.831 54.840 0.018 0.000 0.814 514 L CB 1.237 43.360 42.059 0.107 0.000 1.217 514 L HN 0.896 nan 8.230 nan 0.000 0.420 515 D N 2.932 123.193 120.400 -0.233 0.000 2.970 515 D HA 0.511 5.151 4.640 -0.000 0.000 0.344 515 D C -1.524 174.484 176.300 -0.487 0.000 1.365 515 D CA 0.043 53.839 54.000 -0.341 0.000 0.910 515 D CB 1.799 42.343 40.800 -0.426 0.000 1.445 515 D HN 0.235 nan 8.370 nan 0.000 0.532 516 F N -0.351 119.293 119.950 -0.512 0.000 2.685 516 F HA 0.724 5.251 4.527 -0.000 0.000 0.315 516 F C -1.053 174.826 175.800 0.132 0.000 1.126 516 F CA -1.048 56.779 58.000 -0.287 0.000 0.950 516 F CB 0.827 39.168 39.000 -1.097 0.000 1.360 516 F HN 0.334 nan 8.300 nan 0.000 0.469 517 I N -0.385 120.442 120.570 0.429 0.000 3.108 517 I HA 0.720 4.890 4.170 -0.000 0.000 0.312 517 I C -1.449 174.890 176.117 0.371 0.000 1.095 517 I CA -1.372 60.101 61.300 0.289 0.000 1.000 517 I CB 2.604 40.765 38.000 0.267 0.000 1.229 517 I HN 0.648 nan 8.210 nan 0.000 0.454 518 I N 3.664 124.385 120.570 0.252 0.000 2.382 518 I HA 0.373 4.543 4.170 -0.000 0.000 0.285 518 I C -0.884 175.366 176.117 0.222 0.000 1.007 518 I CA -0.419 61.025 61.300 0.240 0.000 1.142 518 I CB 1.674 39.776 38.000 0.169 0.000 1.289 518 I HN 0.350 nan 8.210 nan 0.000 0.453 519 L N 7.383 128.807 121.223 0.334 0.000 2.265 519 L HA 0.338 4.678 4.340 -0.000 0.000 0.289 519 L C 0.333 177.340 176.870 0.229 0.000 1.033 519 L CA -0.759 54.246 54.840 0.276 0.000 0.814 519 L CB 0.874 43.137 42.059 0.341 0.000 1.203 519 L HN 0.760 nan 8.230 nan 0.000 0.423 520 N N 4.594 123.370 118.700 0.127 0.000 2.777 520 N HA -0.296 4.444 4.740 -0.000 0.000 0.301 520 N C 0.002 175.561 175.510 0.083 0.000 1.107 520 N CA 0.845 53.947 53.050 0.087 0.000 0.790 520 N CB -0.305 38.220 38.487 0.063 0.000 0.980 520 N HN 0.894 nan 8.380 nan 0.000 0.584 521 E N -3.286 116.952 120.200 0.063 0.000 4.851 521 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 521 E C -0.173 176.431 176.600 0.005 0.000 0.953 521 E CA 2.090 58.510 56.400 0.034 0.000 2.275 521 E CB -1.689 28.024 29.700 0.023 0.000 1.723 521 E HN 0.800 nan 8.360 nan 0.000 0.514 522 T N 3.101 117.652 114.554 -0.005 0.000 2.929 522 T HA 0.470 4.820 4.350 -0.000 0.000 0.284 522 T C 0.240 174.792 174.700 -0.247 0.000 1.014 522 T CA -0.738 61.257 62.100 -0.174 0.000 1.051 522 T CB 1.960 70.633 68.868 -0.324 0.000 1.028 522 T HN 0.112 nan 8.240 nan 0.000 0.485 523 K N 1.836 122.009 120.400 -0.378 0.000 2.183 523 K HA 0.509 4.829 4.320 -0.000 0.000 0.274 523 K C -1.495 174.800 176.600 -0.508 0.000 1.009 523 K CA -0.545 55.559 56.287 -0.306 0.000 0.888 523 K CB 0.935 33.080 32.500 -0.590 0.000 1.078 523 K HN 0.452 nan 8.250 nan 0.000 0.459 524 F N 1.663 121.679 119.950 0.110 0.000 2.493 524 F HA 0.330 4.857 4.527 -0.000 0.000 0.329 524 F C -0.624 175.285 175.800 0.182 0.000 1.126 524 F CA -0.842 57.224 58.000 0.110 0.000 0.937 524 F CB 1.124 40.176 39.000 0.087 0.000 1.146 524 F HN 0.509 nan 8.300 nan 0.000 0.442 525 W N 3.652 125.094 121.300 0.237 0.000 2.237 525 W HA 0.492 5.152 4.660 -0.000 0.000 0.335 525 W C -0.552 176.155 176.519 0.313 0.000 1.230 525 W CA -0.528 56.975 57.345 0.262 0.000 1.253 525 W CB 0.435 29.971 29.460 0.128 0.000 1.129 525 W HN 0.447 nan 8.180 nan 0.000 0.590 526 Y N -0.654 119.984 120.300 0.563 0.000 2.625 526 Y HA 0.639 5.189 4.550 -0.000 0.000 0.338 526 Y C -1.080 175.045 175.900 0.376 0.000 1.123 526 Y CA -1.947 56.469 58.100 0.527 0.000 1.046 526 Y CB 1.103 40.034 38.460 0.785 0.000 1.299 526 Y HN 0.562 nan 8.280 nan 0.000 0.464 527 Q N 2.209 122.264 119.800 0.426 0.000 2.389 527 Q HA 0.771 5.111 4.340 -0.000 0.000 0.277 527 Q C -1.850 174.255 176.000 0.175 0.000 1.082 527 Q CA -1.149 54.771 55.803 0.195 0.000 0.810 527 Q CB 3.345 32.151 28.738 0.114 0.000 1.374 527 Q HN 0.842 nan 8.270 nan 0.000 0.422 528 M N 2.465 122.089 119.600 0.039 0.000 2.393 528 M HA 0.463 4.943 4.480 -0.000 0.000 0.299 528 M C -1.200 174.993 176.300 -0.178 0.000 1.103 528 M CA -0.989 54.249 55.300 -0.105 0.000 0.910 528 M CB 2.243 34.718 32.600 -0.208 0.000 1.659 528 M HN 0.613 nan 8.290 nan 0.000 0.445 529 I N 4.958 125.411 120.570 -0.195 0.000 2.291 529 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 529 I C -0.417 175.500 176.117 -0.332 0.000 1.050 529 I CA -0.303 60.863 61.300 -0.222 0.000 1.245 529 I CB 0.271 38.166 38.000 -0.175 0.000 1.405 529 I HN 0.627 nan 8.210 nan 0.000 0.478 530 L N 8.308 129.278 121.223 -0.421 0.000 2.307 530 L HA 0.453 4.793 4.340 -0.000 0.000 0.282 530 L C -2.188 174.435 176.870 -0.412 0.000 1.051 530 L CA -1.774 52.694 54.840 -0.621 0.000 0.804 530 L CB 1.049 42.547 42.059 -0.935 0.000 1.197 530 L HN 0.257 nan 8.230 nan 0.000 0.431 531 P HA 0.111 nan 4.420 nan 0.000 0.269 531 P C -2.492 174.729 177.300 -0.132 0.000 1.215 531 P CA -0.932 62.048 63.100 -0.199 0.000 0.780 531 P CB -0.025 31.595 31.700 -0.133 0.000 0.898 532 P HA 0.009 nan 4.420 nan 0.000 0.269 532 P C -0.473 176.712 177.300 -0.192 0.000 1.209 532 P CA 0.480 63.408 63.100 -0.286 0.000 0.776 532 P CB -0.236 31.193 31.700 -0.452 0.000 0.876 533 H N -1.556 117.556 119.070 0.068 0.000 2.862 533 H HA -0.219 4.337 4.556 -0.000 0.000 0.290 533 H C -0.021 175.380 175.328 0.121 0.000 1.211 533 H CA -0.495 55.600 56.048 0.079 0.000 1.140 533 H CB -2.252 27.550 29.762 0.067 0.000 1.341 533 H HN 0.323 nan 8.280 nan 0.000 0.392 534 F N 2.809 122.765 119.950 0.010 0.000 2.549 534 F HA 0.008 4.535 4.527 -0.000 0.000 0.400 534 F C 0.603 176.431 175.800 0.045 0.000 1.011 534 F CA -0.031 57.921 58.000 -0.079 0.000 1.148 534 F CB 0.347 39.184 39.000 -0.272 0.000 0.993 534 F HN 0.223 nan 8.300 nan 0.000 0.540 535 D N 6.541 126.734 120.400 -0.346 0.000 2.473 535 D HA 0.107 4.747 4.640 -0.000 0.000 0.226 535 D C 0.588 176.569 176.300 -0.531 0.000 1.089 535 D CA -0.553 53.265 54.000 -0.303 0.000 0.883 535 D CB 0.745 41.498 40.800 -0.078 0.000 1.029 535 D HN 0.677 nan 8.370 nan 0.000 0.517 536 K N 1.067 121.088 120.400 -0.633 0.000 2.633 536 K HA -0.062 4.258 4.320 -0.000 0.000 0.193 536 K C 1.112 177.694 176.600 -0.030 0.000 1.033 536 K CA 0.355 56.438 56.287 -0.340 0.000 0.980 536 K CB 0.131 32.602 32.500 -0.048 0.000 0.800 536 K HN 0.063 nan 8.250 nan 0.000 0.493 537 S N -0.129 115.523 115.700 -0.080 0.000 2.502 537 S HA 0.121 4.591 4.470 -0.000 0.000 0.215 537 S C 0.214 174.785 174.600 -0.049 0.000 1.009 537 S CA -0.332 57.846 58.200 -0.037 0.000 0.908 537 S CB 0.246 63.417 63.200 -0.047 0.000 0.801 537 S HN 0.296 nan 8.310 nan 0.000 0.505 538 K N 1.253 121.606 120.400 -0.079 0.000 2.090 538 K HA 0.368 4.688 4.320 -0.000 0.000 0.249 538 K C -0.772 175.769 176.600 -0.099 0.000 0.995 538 K CA -0.421 55.766 56.287 -0.167 0.000 0.914 538 K CB 0.754 33.036 32.500 -0.364 0.000 1.057 538 K HN -0.023 nan 8.250 nan 0.000 0.462 539 K N 2.679 122.968 120.400 -0.185 0.000 2.404 539 K HA 0.206 4.526 4.320 -0.000 0.000 0.257 539 K C -1.311 175.213 176.600 -0.127 0.000 1.026 539 K CA -0.430 55.822 56.287 -0.060 0.000 0.951 539 K CB 0.722 33.182 32.500 -0.066 0.000 1.203 539 K HN 0.370 nan 8.250 nan 0.000 0.446 540 Y N 2.950 123.285 120.300 0.058 0.000 2.335 540 Y HA 0.230 4.780 4.550 -0.000 0.000 0.323 540 Y C -1.791 174.053 175.900 -0.094 0.000 1.224 540 Y CA -2.361 55.744 58.100 0.009 0.000 1.241 540 Y CB 0.298 38.822 38.460 0.107 0.000 1.235 540 Y HN 0.455 nan 8.280 nan 0.000 0.492 541 P HA 0.238 nan 4.420 nan 0.000 0.277 541 P C -1.224 175.915 177.300 -0.267 0.000 1.240 541 P CA -0.312 62.505 63.100 -0.472 0.000 0.798 541 P CB 1.768 32.806 31.700 -1.104 0.000 0.979 542 L N 2.587 123.693 121.223 -0.196 0.000 2.385 542 L HA 0.493 4.833 4.340 -0.000 0.000 0.273 542 L C -1.088 175.931 176.870 0.248 0.000 0.990 542 L CA -1.048 53.818 54.840 0.043 0.000 0.821 542 L CB 1.614 43.714 42.059 0.069 0.000 1.279 542 L HN 0.261 nan 8.230 nan 0.000 0.412 543 L N 5.757 127.144 121.223 0.272 0.000 2.280 543 L HA 0.399 4.739 4.340 -0.000 0.000 0.287 543 L C -1.083 175.993 176.870 0.343 0.000 1.023 543 L CA -0.815 54.242 54.840 0.361 0.000 0.819 543 L CB 1.655 43.865 42.059 0.252 0.000 1.212 543 L HN 0.609 nan 8.230 nan 0.000 0.420 544 L N 5.386 126.873 121.223 0.440 0.000 2.278 544 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 544 L C -0.113 177.016 176.870 0.432 0.000 1.072 544 L CA 0.189 55.287 54.840 0.429 0.000 0.819 544 L CB 0.729 43.101 42.059 0.522 0.000 1.176 544 L HN 0.469 nan 8.230 nan 0.000 0.435 545 D N 4.644 125.267 120.400 0.370 0.000 2.380 545 D HA 0.192 4.832 4.640 -0.000 0.000 0.230 545 D C -0.906 175.497 176.300 0.172 0.000 1.154 545 D CA 0.052 54.218 54.000 0.276 0.000 0.859 545 D CB 1.173 42.177 40.800 0.341 0.000 1.045 545 D HN 0.319 nan 8.370 nan 0.000 0.495 546 V N 5.132 125.090 119.914 0.075 0.000 2.919 546 V HA 0.472 4.592 4.120 -0.000 0.000 0.316 546 V C -0.886 175.312 176.094 0.174 0.000 1.077 546 V CA -0.321 62.071 62.300 0.154 0.000 0.977 546 V CB 1.930 33.852 31.823 0.166 0.000 1.039 546 V HN 0.631 nan 8.190 nan 0.000 0.441 547 Y N 4.131 124.496 120.300 0.108 0.000 3.284 547 Y HA 0.563 5.113 4.550 -0.000 0.000 0.165 547 Y C 1.394 177.385 175.900 0.153 0.000 0.881 547 Y CA 1.234 59.411 58.100 0.128 0.000 1.837 547 Y CB -0.053 38.462 38.460 0.092 0.000 1.398 547 Y HN 1.119 nan 8.280 nan 0.000 0.336 548 A N 0.955 123.893 122.820 0.196 0.000 2.860 548 A HA -0.111 4.209 4.320 -0.000 0.000 0.267 548 A C 0.767 178.136 177.584 -0.359 0.000 1.421 548 A CA 0.974 53.039 52.037 0.046 0.000 0.831 548 A CB -2.350 16.740 19.000 0.150 0.000 1.041 548 A HN 1.018 nan 8.150 nan 0.000 0.623 549 G N -0.988 107.389 108.800 -0.705 0.000 2.507 549 G HA2 0.529 4.489 3.960 -0.000 0.000 0.271 549 G HA3 0.529 4.489 3.960 -0.000 0.000 0.271 549 G C -2.268 172.344 174.900 -0.481 0.000 1.189 549 G CA -1.241 43.046 45.100 -1.355 0.000 0.859 549 G HN 0.253 nan 8.290 nan 0.000 0.542 550 P HA 0.001 nan 4.420 nan 0.000 0.261 550 P C 0.683 177.888 177.300 -0.157 0.000 1.173 550 P CA 0.317 63.184 63.100 -0.388 0.000 0.760 550 P CB 0.546 31.599 31.700 -1.079 0.000 0.783 551 C N 2.748 122.023 119.300 -0.042 0.000 4.432 551 C HA -0.145 4.315 4.460 -0.000 0.000 0.294 551 C C 0.807 175.867 174.990 0.117 0.000 1.398 551 C CA 1.033 60.007 59.018 -0.074 0.000 1.988 551 C CB -2.756 24.795 27.740 -0.315 0.000 1.251 551 C HN 0.772 nan 8.230 nan 0.000 0.791 552 S N -0.142 115.680 115.700 0.203 0.000 2.687 552 S HA 0.680 5.150 4.470 -0.000 0.000 0.283 552 S C -0.731 174.057 174.600 0.313 0.000 1.170 552 S CA -0.170 58.228 58.200 0.332 0.000 1.008 552 S CB 1.796 65.250 63.200 0.424 0.000 1.026 552 S HN 0.809 nan 8.310 nan 0.000 0.541 553 Q N 0.047 120.030 119.800 0.306 0.000 2.350 553 Q HA 0.362 4.702 4.340 -0.000 0.000 0.255 553 Q C -0.749 175.349 176.000 0.163 0.000 0.951 553 Q CA -0.577 55.377 55.803 0.252 0.000 0.751 553 Q CB 1.011 29.913 28.738 0.274 0.000 1.296 553 Q HN 0.655 nan 8.270 nan 0.000 0.453 554 K N 1.103 121.606 120.400 0.170 0.000 2.358 554 K HA 0.347 4.666 4.320 -0.000 0.000 0.200 554 K C -0.601 176.086 176.600 0.145 0.000 1.030 554 K CA 0.208 56.585 56.287 0.150 0.000 1.097 554 K CB 1.465 34.087 32.500 0.203 0.000 0.862 554 K HN 0.493 nan 8.250 nan 0.000 0.534 555 A N 2.404 125.312 122.820 0.146 0.000 2.323 555 A HA 0.469 4.789 4.320 -0.000 0.000 0.305 555 A C -0.925 176.700 177.584 0.068 0.000 1.275 555 A CA -0.649 51.474 52.037 0.144 0.000 0.804 555 A CB 0.391 19.535 19.000 0.241 0.000 1.152 555 A HN 0.213 nan 8.150 nan 0.000 0.487 556 D N -0.030 120.386 120.400 0.027 0.000 2.798 556 D HA 0.498 5.138 4.640 -0.000 0.000 0.308 556 D C 0.328 176.617 176.300 -0.018 0.000 1.187 556 D CA 0.269 54.268 54.000 -0.002 0.000 1.033 556 D CB 0.461 41.243 40.800 -0.030 0.000 1.445 556 D HN 0.189 nan 8.370 nan 0.000 0.550 557 T N -2.165 112.388 114.554 -0.001 0.000 3.243 557 T HA 0.386 4.736 4.350 -0.000 0.000 0.264 557 T C 0.008 174.653 174.700 -0.091 0.000 1.000 557 T CA -0.458 61.644 62.100 0.003 0.000 0.901 557 T CB -0.826 68.095 68.868 0.088 0.000 1.083 557 T HN 0.258 nan 8.240 nan 0.000 0.559 558 V N 2.542 122.311 119.914 -0.241 0.000 2.498 558 V HA 0.407 4.526 4.120 -0.000 0.000 0.279 558 V C 0.033 176.066 176.094 -0.102 0.000 1.048 558 V CA -1.185 60.940 62.300 -0.292 0.000 0.967 558 V CB 0.341 31.866 31.823 -0.496 0.000 0.988 558 V HN 0.589 nan 8.190 nan 0.000 0.473 559 F N 6.524 126.372 119.950 -0.169 0.000 2.467 559 F HA 0.506 5.033 4.527 -0.000 0.000 0.362 559 F C 0.554 176.293 175.800 -0.102 0.000 1.090 559 F CA -0.020 57.908 58.000 -0.121 0.000 1.202 559 F CB 0.200 39.138 39.000 -0.102 0.000 1.113 559 F HN 0.436 nan 8.300 nan 0.000 0.541 560 R N 5.839 125.859 120.500 -0.799 0.000 2.673 560 R HA 0.510 4.850 4.340 -0.000 0.000 0.281 560 R C -1.902 173.984 176.300 -0.689 0.000 0.991 560 R CA -1.197 54.562 56.100 -0.567 0.000 0.896 560 R CB 1.864 31.998 30.300 -0.277 0.000 1.201 560 R HN 0.446 nan 8.270 nan 0.000 0.457 561 L N 4.238 125.224 121.223 -0.395 0.000 2.387 561 L HA 0.316 4.656 4.340 -0.000 0.000 0.259 561 L C -0.693 176.169 176.870 -0.013 0.000 1.050 561 L CA -0.467 54.210 54.840 -0.273 0.000 0.922 561 L CB 0.102 42.117 42.059 -0.073 0.000 1.280 561 L HN 0.716 nan 8.230 nan 0.000 0.449 562 N N -0.561 118.062 118.700 -0.128 0.000 3.379 562 N HA 0.205 4.945 4.740 -0.000 0.000 0.350 562 N C 0.546 175.718 175.510 -0.563 0.000 1.553 562 N CA -0.777 52.115 53.050 -0.263 0.000 0.712 562 N CB -0.050 38.381 38.487 -0.093 0.000 1.880 562 N HN 0.147 nan 8.380 nan 0.000 0.648 563 W N 0.277 120.959 121.300 -1.030 0.000 2.374 563 W HA 0.169 4.829 4.660 -0.000 0.000 0.288 563 W C 1.940 178.386 176.519 -0.123 0.000 1.218 563 W CA 2.368 59.325 57.345 -0.646 0.000 1.245 563 W CB -0.937 28.280 29.460 -0.404 0.000 1.126 563 W HN 0.681 nan 8.180 nan 0.000 0.545 564 A N -0.689 122.077 122.820 -0.089 0.000 1.969 564 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 564 A C 1.953 179.422 177.584 -0.192 0.000 1.169 564 A CA 2.221 54.148 52.037 -0.184 0.000 0.635 564 A CB -1.194 17.776 19.000 -0.049 0.000 0.810 564 A HN 0.258 nan 8.150 nan 0.000 0.445 565 T N -1.069 113.398 114.554 -0.145 0.000 2.684 565 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 565 T C 1.810 176.535 174.700 0.041 0.000 1.036 565 T CA 1.792 63.799 62.100 -0.156 0.000 1.148 565 T CB -0.487 68.163 68.868 -0.364 0.000 0.863 565 T HN 0.675 nan 8.240 nan 0.000 0.436 566 Y N 2.116 122.487 120.300 0.119 0.000 2.145 566 Y HA -0.065 4.485 4.550 -0.000 0.000 0.286 566 Y C 1.958 177.842 175.900 -0.028 0.000 1.145 566 Y CA 1.001 59.199 58.100 0.163 0.000 1.148 566 Y CB -0.821 37.723 38.460 0.139 0.000 0.981 566 Y HN 0.132 nan 8.280 nan 0.000 0.507 567 L N 0.181 120.969 121.223 -0.725 0.000 2.042 567 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 567 L C 2.836 179.450 176.870 -0.428 0.000 1.076 567 L CA 1.297 55.655 54.840 -0.803 0.000 0.749 567 L CB -1.072 40.560 42.059 -0.713 0.000 0.893 567 L HN 0.409 nan 8.230 nan 0.000 0.432 568 A N -0.887 121.756 122.820 -0.294 0.000 1.840 568 A HA -0.207 4.113 4.320 -0.000 0.000 0.214 568 A C 2.534 180.026 177.584 -0.153 0.000 1.198 568 A CA 1.850 53.761 52.037 -0.210 0.000 0.608 568 A CB -0.829 18.042 19.000 -0.215 0.000 0.839 568 A HN 0.335 nan 8.150 nan 0.000 0.443 569 S N -1.171 114.462 115.700 -0.112 0.000 2.353 569 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 569 S C 2.031 176.625 174.600 -0.011 0.000 1.035 569 S CA 2.504 60.683 58.200 -0.035 0.000 1.025 569 S CB -0.512 62.735 63.200 0.077 0.000 0.902 569 S HN 0.601 nan 8.310 nan 0.000 0.440 570 T N 1.210 115.746 114.554 -0.030 0.000 2.953 570 T HA 0.155 4.505 4.350 -0.000 0.000 0.247 570 T C 1.490 176.153 174.700 -0.062 0.000 1.029 570 T CA 0.682 62.781 62.100 -0.000 0.000 1.144 570 T CB -0.171 68.771 68.868 0.124 0.000 0.870 570 T HN 0.319 nan 8.240 nan 0.000 0.446 571 E N 1.363 121.437 120.200 -0.209 0.000 2.489 571 E HA 0.135 4.485 4.350 -0.000 0.000 0.193 571 E C 0.027 176.602 176.600 -0.041 0.000 1.057 571 E CA -0.058 56.260 56.400 -0.137 0.000 0.866 571 E CB -0.502 29.049 29.700 -0.248 0.000 0.916 571 E HN 0.563 nan 8.360 nan 0.000 0.500 572 N N 0.548 119.229 118.700 -0.031 0.000 2.738 572 N HA -0.185 4.554 4.740 -0.000 0.000 0.249 572 N C -0.865 174.709 175.510 0.107 0.000 1.047 572 N CA 0.183 53.280 53.050 0.079 0.000 0.707 572 N CB -1.175 37.416 38.487 0.174 0.000 0.937 572 N HN 0.198 nan 8.380 nan 0.000 0.545 573 I N 0.671 121.228 120.570 -0.021 0.000 2.493 573 I HA 0.429 4.599 4.170 -0.000 0.000 0.298 573 I C 0.466 176.526 176.117 -0.096 0.000 0.998 573 I CA -0.969 60.326 61.300 -0.010 0.000 1.137 573 I CB 1.689 39.703 38.000 0.023 0.000 1.310 573 I HN -0.008 nan 8.210 nan 0.000 0.445 574 I N 5.618 126.138 120.570 -0.084 0.000 2.325 574 I HA 0.222 4.392 4.170 -0.000 0.000 0.291 574 I C -0.462 175.600 176.117 -0.092 0.000 1.019 574 I CA -0.602 60.595 61.300 -0.172 0.000 1.302 574 I CB 1.220 39.113 38.000 -0.178 0.000 1.401 574 I HN 0.181 nan 8.210 nan 0.000 0.485 575 V N 6.613 126.458 119.914 -0.115 0.000 2.311 575 V HA 0.596 4.716 4.120 -0.000 0.000 0.275 575 V C 0.391 176.474 176.094 -0.019 0.000 1.022 575 V CA -0.387 61.899 62.300 -0.023 0.000 0.830 575 V CB 1.033 32.836 31.823 -0.033 0.000 1.012 575 V HN 0.846 nan 8.190 nan 0.000 0.452 576 A N 4.018 126.850 122.820 0.021 0.000 2.337 576 A HA 0.942 5.262 4.320 -0.000 0.000 0.331 576 A C -0.156 177.548 177.584 0.200 0.000 1.137 576 A CA -0.521 51.520 52.037 0.008 0.000 0.807 576 A CB 1.692 20.495 19.000 -0.327 0.000 1.250 576 A HN 0.661 nan 8.150 nan 0.000 0.468 577 S N -0.051 115.820 115.700 0.285 0.000 2.541 577 S HA 0.686 5.156 4.470 -0.000 0.000 0.280 577 S C -1.453 173.487 174.600 0.566 0.000 1.112 577 S CA -0.292 58.136 58.200 0.379 0.000 0.925 577 S CB 1.209 64.573 63.200 0.275 0.000 1.067 577 S HN 0.699 nan 8.310 nan 0.000 0.479 578 F N 2.162 122.352 119.950 0.400 0.000 2.529 578 F HA 0.482 5.009 4.527 -0.000 0.000 0.320 578 F C -1.196 174.815 175.800 0.351 0.000 1.118 578 F CA -0.770 57.494 58.000 0.441 0.000 0.915 578 F CB 1.328 40.571 39.000 0.405 0.000 1.161 578 F HN 0.382 nan 8.300 nan 0.000 0.445 579 D N 4.822 125.073 120.400 -0.248 0.000 2.467 579 D HA 0.335 4.975 4.640 -0.000 0.000 0.220 579 D C 0.384 176.446 176.300 -0.397 0.000 1.103 579 D CA 0.170 54.087 54.000 -0.139 0.000 0.886 579 D CB 1.378 42.231 40.800 0.088 0.000 1.025 579 D HN 0.765 nan 8.370 nan 0.000 0.514 580 G N 1.327 109.988 108.800 -0.231 0.000 2.695 580 G HA2 0.291 4.251 3.960 -0.000 0.000 0.213 580 G HA3 0.291 4.251 3.960 -0.000 0.000 0.213 580 G C 0.081 175.026 174.900 0.074 0.000 1.406 580 G CA -0.652 44.350 45.100 -0.163 0.000 1.049 580 G HN 0.241 nan 8.290 nan 0.000 0.573 581 R N -0.706 119.816 120.500 0.037 0.000 2.538 581 R HA 0.399 4.739 4.340 -0.000 0.000 0.282 581 R C 1.239 177.641 176.300 0.171 0.000 1.009 581 R CA 1.907 58.097 56.100 0.151 0.000 1.063 581 R CB 0.457 30.823 30.300 0.110 0.000 0.945 581 R HN 1.224 nan 8.270 nan 0.000 0.414 582 G N 1.192 110.090 108.800 0.162 0.000 2.238 582 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 582 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 582 G C 0.076 175.030 174.900 0.091 0.000 0.996 582 G CA 0.048 45.228 45.100 0.133 0.000 0.632 582 G HN 0.620 nan 8.290 nan 0.000 0.503 583 S N 0.614 116.379 115.700 0.107 0.000 2.576 583 S HA 0.536 5.006 4.470 -0.000 0.000 0.272 583 S C 0.971 175.594 174.600 0.038 0.000 1.352 583 S CA 0.365 58.628 58.200 0.105 0.000 1.021 583 S CB 1.303 64.591 63.200 0.147 0.000 0.887 583 S HN 1.300 nan 8.310 nan 0.000 0.542 584 G N -0.753 108.055 108.800 0.013 0.000 2.705 584 G HA2 0.517 4.477 3.960 -0.000 0.000 0.299 584 G HA3 0.517 4.477 3.960 -0.000 0.000 0.299 584 G C -0.977 173.851 174.900 -0.120 0.000 1.315 584 G CA -0.788 44.173 45.100 -0.232 0.000 1.045 584 G HN 0.775 nan 8.290 nan 0.000 0.517 585 Y N -2.377 117.920 120.300 -0.005 0.000 4.798 585 Y HA -0.225 4.325 4.550 -0.000 0.000 0.237 585 Y C 1.493 177.391 175.900 -0.003 0.000 1.017 585 Y CA 1.209 59.309 58.100 0.000 0.000 2.010 585 Y CB -1.958 36.517 38.460 0.025 0.000 1.582 585 Y HN 0.521 nan 8.280 nan 0.000 0.621 586 Q N -0.002 119.814 119.800 0.028 0.000 2.112 586 Q HA 0.502 4.842 4.340 -0.000 0.000 0.222 586 Q C 0.923 176.823 176.000 -0.167 0.000 0.798 586 Q CA 0.245 56.068 55.803 0.032 0.000 1.060 586 Q CB 1.614 30.374 28.738 0.037 0.000 1.184 586 Q HN 0.561 nan 8.270 nan 0.000 0.475 587 G N 0.737 109.301 108.800 -0.395 0.000 2.662 587 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 587 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 587 G C -0.509 174.009 174.900 -0.637 0.000 1.271 587 G CA -0.557 44.028 45.100 -0.858 0.000 0.816 587 G HN 0.127 nan 8.290 nan 0.000 0.608 588 D N -0.048 119.924 120.400 -0.713 0.000 2.219 588 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 588 D C 2.248 178.260 176.300 -0.480 0.000 0.970 588 D CA 0.999 54.547 54.000 -0.753 0.000 0.851 588 D CB 0.096 40.418 40.800 -0.797 0.000 0.943 588 D HN 0.433 nan 8.370 nan 0.000 0.488 589 K N 0.469 120.653 120.400 -0.360 0.000 2.097 589 K HA -0.075 4.245 4.320 -0.000 0.000 0.206 589 K C 1.975 178.502 176.600 -0.121 0.000 1.049 589 K CA 0.666 56.838 56.287 -0.192 0.000 0.933 589 K CB -0.067 32.340 32.500 -0.155 0.000 0.717 589 K HN 0.223 nan 8.250 nan 0.000 0.442 590 I N 0.010 120.494 120.570 -0.142 0.000 2.339 590 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 590 I C 2.627 178.740 176.117 -0.007 0.000 1.096 590 I CA 0.516 61.805 61.300 -0.019 0.000 1.408 590 I CB -0.113 37.893 38.000 0.010 0.000 1.092 590 I HN 0.155 nan 8.210 nan 0.000 0.423 591 M N 0.150 119.675 119.600 -0.126 0.000 2.175 591 M HA -0.210 4.270 4.480 -0.000 0.000 0.264 591 M C 1.702 178.060 176.300 0.096 0.000 1.063 591 M CA 1.977 57.237 55.300 -0.067 0.000 1.119 591 M CB -0.250 32.205 32.600 -0.242 0.000 1.377 591 M HN 0.261 nan 8.290 nan 0.000 0.415 592 H N -0.854 118.130 119.070 -0.144 0.000 2.533 592 H HA 0.234 4.790 4.556 -0.000 0.000 0.271 592 H C 1.735 177.098 175.328 0.059 0.000 1.000 592 H CA 0.069 56.051 56.048 -0.110 0.000 1.149 592 H CB 0.230 29.823 29.762 -0.281 0.000 1.375 592 H HN 0.509 nan 8.280 nan 0.000 0.582 593 A N 1.402 124.342 122.820 0.199 0.000 2.067 593 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 593 A C 2.025 179.843 177.584 0.391 0.000 1.158 593 A CA 0.889 53.060 52.037 0.223 0.000 0.661 593 A CB -0.578 18.495 19.000 0.123 0.000 0.801 593 A HN 0.573 nan 8.150 nan 0.000 0.452 594 I N -3.423 117.347 120.570 0.335 0.000 3.928 594 I HA 0.159 4.329 4.170 -0.000 0.000 0.335 594 I C 0.430 176.646 176.117 0.166 0.000 1.325 594 I CA -0.474 60.978 61.300 0.253 0.000 1.107 594 I CB -0.558 37.561 38.000 0.198 0.000 1.014 594 I HN 0.194 nan 8.210 nan 0.000 0.400 595 N N 3.102 121.949 118.700 0.244 0.000 2.292 595 N HA -0.105 4.635 4.740 -0.000 0.000 0.258 595 N C 0.168 175.710 175.510 0.054 0.000 1.261 595 N CA 0.372 53.556 53.050 0.223 0.000 0.845 595 N CB 0.317 38.911 38.487 0.179 0.000 1.064 595 N HN 0.383 nan 8.380 nan 0.000 0.471 596 R N 0.333 120.837 120.500 0.008 0.000 3.946 596 R HA -0.213 4.127 4.340 -0.000 0.000 0.329 596 R C -0.191 175.971 176.300 -0.231 0.000 1.209 596 R CA 0.820 56.875 56.100 -0.074 0.000 0.909 596 R CB -0.926 29.349 30.300 -0.041 0.000 1.355 596 R HN 0.554 nan 8.270 nan 0.000 0.539 597 R N 0.705 121.068 120.500 -0.227 0.000 2.648 597 R HA 0.323 4.663 4.340 -0.000 0.000 0.341 597 R C -0.596 175.656 176.300 -0.080 0.000 1.154 597 R CA -0.197 55.631 56.100 -0.453 0.000 1.228 597 R CB 0.481 30.517 30.300 -0.440 0.000 1.311 597 R HN 0.088 nan 8.270 nan 0.000 0.659 598 L N -0.284 120.984 121.223 0.075 0.000 2.467 598 L HA 0.272 4.612 4.340 -0.000 0.000 0.270 598 L C 1.262 178.373 176.870 0.402 0.000 1.205 598 L CA 0.933 55.870 54.840 0.162 0.000 0.828 598 L CB 0.615 42.597 42.059 -0.128 0.000 1.101 598 L HN 0.670 nan 8.230 nan 0.000 0.479 599 G N 0.702 109.766 108.800 0.441 0.000 2.160 599 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 599 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 599 G C 0.376 175.355 174.900 0.132 0.000 1.022 599 G CA 0.533 45.827 45.100 0.324 0.000 0.741 599 G HN 0.884 nan 8.290 nan 0.000 0.508 600 T N -3.988 110.610 114.554 0.074 0.000 3.216 600 T HA 0.470 4.820 4.350 -0.000 0.000 0.167 600 T C 1.613 176.300 174.700 -0.022 0.000 0.905 600 T CA 0.918 62.965 62.100 -0.088 0.000 1.042 600 T CB 0.024 68.662 68.868 -0.384 0.000 1.787 600 T HN 0.174 nan 8.240 nan 0.000 0.355 601 F N 3.530 123.528 119.950 0.079 0.000 2.126 601 F HA 0.068 4.595 4.527 -0.000 0.000 0.299 601 F C 2.833 178.676 175.800 0.071 0.000 1.096 601 F CA 1.374 59.411 58.000 0.061 0.000 1.255 601 F CB -0.723 38.311 39.000 0.057 0.000 0.997 601 F HN 0.534 nan 8.300 nan 0.000 0.479 602 E N 1.039 121.407 120.200 0.280 0.000 2.204 602 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 602 E C 2.269 178.984 176.600 0.192 0.000 0.990 602 E CA 1.613 58.148 56.400 0.225 0.000 0.821 602 E CB -1.188 28.641 29.700 0.215 0.000 0.750 602 E HN 0.376 nan 8.360 nan 0.000 0.477 603 V N 0.657 120.658 119.914 0.145 0.000 2.379 603 V HA -0.121 3.999 4.120 -0.000 0.000 0.243 603 V C 1.985 178.118 176.094 0.065 0.000 1.035 603 V CA 1.729 64.070 62.300 0.068 0.000 1.035 603 V CB -0.263 31.544 31.823 -0.026 0.000 0.673 603 V HN 0.120 nan 8.190 nan 0.000 0.457 604 E N 0.166 120.418 120.200 0.086 0.000 2.118 604 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 604 E C 1.875 178.512 176.600 0.061 0.000 0.992 604 E CA 1.771 58.219 56.400 0.079 0.000 0.804 604 E CB -0.206 29.572 29.700 0.131 0.000 0.741 604 E HN 0.648 nan 8.360 nan 0.000 0.458 605 D N 0.161 120.620 120.400 0.097 0.000 2.178 605 D HA -0.130 4.510 4.640 -0.000 0.000 0.202 605 D C 1.849 178.160 176.300 0.018 0.000 0.974 605 D CA 0.781 54.822 54.000 0.069 0.000 0.841 605 D CB -0.080 40.824 40.800 0.174 0.000 0.953 605 D HN -0.004 nan 8.370 nan 0.000 0.478 606 Q N -0.092 119.775 119.800 0.112 0.000 2.230 606 Q HA 0.070 4.409 4.340 -0.000 0.000 0.202 606 Q C 1.904 177.963 176.000 0.099 0.000 0.963 606 Q CA 0.677 56.559 55.803 0.131 0.000 0.866 606 Q CB -0.005 28.824 28.738 0.152 0.000 0.931 606 Q HN 0.357 nan 8.270 nan 0.000 0.452 607 I N -0.610 120.007 120.570 0.079 0.000 2.400 607 I HA -0.116 4.054 4.170 -0.000 0.000 0.248 607 I C 1.928 178.023 176.117 -0.037 0.000 1.109 607 I CA 0.791 62.191 61.300 0.167 0.000 1.425 607 I CB -0.054 38.030 38.000 0.141 0.000 1.094 607 I HN 0.134 nan 8.210 nan 0.000 0.425 608 E N 1.708 121.821 120.200 -0.146 0.000 2.204 608 E HA -0.146 4.204 4.350 -0.000 0.000 0.194 608 E C 2.011 178.315 176.600 -0.494 0.000 0.989 608 E CA 1.359 57.607 56.400 -0.254 0.000 0.824 608 E CB -0.044 29.527 29.700 -0.214 0.000 0.756 608 E HN 0.409 nan 8.360 nan 0.000 0.477 609 A N 0.608 122.995 122.820 -0.721 0.000 1.898 609 A HA 0.054 4.374 4.320 -0.000 0.000 0.216 609 A C 2.398 179.276 177.584 -1.177 0.000 1.181 609 A CA 1.678 52.957 52.037 -1.264 0.000 0.620 609 A CB -0.838 17.272 19.000 -1.484 0.000 0.819 609 A HN 0.353 nan 8.150 nan 0.000 0.442 610 A N -0.554 121.974 122.820 -0.487 0.000 2.067 610 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 610 A C 2.199 179.609 177.584 -0.291 0.000 1.158 610 A CA 1.169 53.077 52.037 -0.214 0.000 0.661 610 A CB -0.373 18.545 19.000 -0.137 0.000 0.801 610 A HN 0.522 nan 8.150 nan 0.000 0.452 611 R N -0.849 119.455 120.500 -0.327 0.000 2.090 611 R HA -0.060 4.280 4.340 -0.000 0.000 0.228 611 R C 2.193 178.323 176.300 -0.283 0.000 1.110 611 R CA 1.126 57.072 56.100 -0.257 0.000 0.973 611 R CB -0.166 30.010 30.300 -0.207 0.000 0.869 611 R HN 0.524 nan 8.270 nan 0.000 0.440 612 Q N -0.125 119.421 119.800 -0.425 0.000 2.079 612 Q HA -0.098 4.242 4.340 -0.000 0.000 0.200 612 Q C 2.010 177.807 176.000 -0.340 0.000 0.974 612 Q CA 1.379 56.934 55.803 -0.414 0.000 0.840 612 Q CB -0.184 28.221 28.738 -0.555 0.000 0.898 612 Q HN 0.249 nan 8.270 nan 0.000 0.430 613 F N 1.556 121.355 119.950 -0.252 0.000 2.102 613 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 613 F C 2.733 178.340 175.800 -0.321 0.000 1.105 613 F CA 1.336 59.181 58.000 -0.259 0.000 1.239 613 F CB -1.425 37.483 39.000 -0.154 0.000 0.991 613 F HN 0.084 nan 8.300 nan 0.000 0.474 614 S N -0.507 115.149 115.700 -0.072 0.000 2.419 614 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 614 S C 1.616 176.102 174.600 -0.189 0.000 1.019 614 S CA 0.941 59.056 58.200 -0.140 0.000 0.982 614 S CB -0.410 62.712 63.200 -0.131 0.000 0.789 614 S HN 0.185 nan 8.310 nan 0.000 0.490 615 K N 0.576 120.863 120.400 -0.188 0.000 2.476 615 K HA 0.355 4.675 4.320 -0.000 0.000 0.196 615 K C 1.053 177.536 176.600 -0.194 0.000 1.025 615 K CA 0.100 56.286 56.287 -0.169 0.000 1.138 615 K CB -0.217 32.198 32.500 -0.142 0.000 0.860 615 K HN 0.553 nan 8.250 nan 0.000 0.515 616 M N -1.436 117.980 119.600 -0.307 0.000 2.509 616 M HA 0.061 4.541 4.480 -0.000 0.000 0.250 616 M C 1.128 177.162 176.300 -0.442 0.000 1.132 616 M CA 0.733 55.806 55.300 -0.379 0.000 1.080 616 M CB 0.457 32.717 32.600 -0.568 0.000 1.408 616 M HN 0.354 nan 8.290 nan 0.000 0.484 617 G N 1.141 109.689 108.800 -0.420 0.000 2.308 617 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.221 617 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.221 617 G C 0.430 175.231 174.900 -0.166 0.000 1.032 617 G CA 0.183 45.139 45.100 -0.241 0.000 0.623 617 G HN 0.512 nan 8.290 nan 0.000 0.506 618 F N 1.433 121.435 119.950 0.087 0.000 2.701 618 F HA 0.771 5.298 4.527 -0.000 0.000 0.295 618 F C 0.107 176.020 175.800 0.189 0.000 1.165 618 F CA -1.454 56.631 58.000 0.141 0.000 1.399 618 F CB -0.079 39.059 39.000 0.229 0.000 0.996 618 F HN 0.112 nan 8.300 nan 0.000 0.513 619 V N 0.882 120.838 119.914 0.070 0.000 2.588 619 V HA 0.214 4.334 4.120 -0.000 0.000 0.304 619 V C -0.773 175.318 176.094 -0.004 0.000 1.042 619 V CA -0.940 61.417 62.300 0.094 0.000 0.877 619 V CB 1.921 33.761 31.823 0.027 0.000 0.996 619 V HN 0.094 nan 8.190 nan 0.000 0.425 620 D N 3.464 123.852 120.400 -0.020 0.000 2.374 620 D HA 0.050 4.690 4.640 -0.000 0.000 0.240 620 D C 1.157 177.405 176.300 -0.087 0.000 1.229 620 D CA -0.197 53.760 54.000 -0.073 0.000 0.895 620 D CB 0.747 41.480 40.800 -0.112 0.000 1.046 620 D HN 0.686 nan 8.370 nan 0.000 0.498 621 N N 3.429 122.080 118.700 -0.082 0.000 2.443 621 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 621 N C 0.904 176.367 175.510 -0.079 0.000 1.037 621 N CA 0.995 53.990 53.050 -0.092 0.000 0.896 621 N CB -0.120 38.312 38.487 -0.093 0.000 0.959 621 N HN 0.323 nan 8.380 nan 0.000 0.442 622 K N -0.442 119.920 120.400 -0.063 0.000 2.444 622 K HA 0.188 4.508 4.320 -0.000 0.000 0.193 622 K C 0.011 176.602 176.600 -0.015 0.000 1.024 622 K CA 0.081 56.348 56.287 -0.034 0.000 1.077 622 K CB 0.327 32.810 32.500 -0.028 0.000 0.833 622 K HN 0.177 nan 8.250 nan 0.000 0.517 623 R N 1.123 121.585 120.500 -0.063 0.000 2.653 623 R HA 0.340 4.680 4.340 -0.000 0.000 0.269 623 R C -1.084 175.157 176.300 -0.099 0.000 1.603 623 R CA -0.139 55.906 56.100 -0.091 0.000 1.671 623 R CB 0.654 30.741 30.300 -0.355 0.000 1.300 623 R HN -0.014 nan 8.270 nan 0.000 0.668 624 I N 1.170 121.794 120.570 0.091 0.000 2.406 624 I HA 0.557 4.727 4.170 -0.000 0.000 0.290 624 I C -0.070 176.283 176.117 0.395 0.000 0.999 624 I CA -0.718 60.658 61.300 0.128 0.000 1.124 624 I CB 1.956 39.860 38.000 -0.160 0.000 1.289 624 I HN 0.305 nan 8.210 nan 0.000 0.441 625 A N 7.044 130.210 122.820 0.577 0.000 2.387 625 A HA 0.931 5.251 4.320 -0.000 0.000 0.303 625 A C -1.150 176.811 177.584 0.629 0.000 1.145 625 A CA -0.634 51.754 52.037 0.585 0.000 0.801 625 A CB 2.056 21.296 19.000 0.401 0.000 1.342 625 A HN 0.724 nan 8.150 nan 0.000 0.440 626 I N 0.307 121.182 120.570 0.508 0.000 2.802 626 I HA 0.739 4.909 4.170 -0.000 0.000 0.298 626 I C -1.986 174.418 176.117 0.478 0.000 1.176 626 I CA -0.544 61.004 61.300 0.413 0.000 1.025 626 I CB 1.817 39.837 38.000 0.034 0.000 1.243 626 I HN 0.948 nan 8.210 nan 0.000 0.424 627 W N 6.569 128.010 121.300 0.234 0.000 3.248 627 W HA 0.818 5.478 4.660 -0.000 0.000 0.311 627 W C -1.600 175.083 176.519 0.273 0.000 1.258 627 W CA -0.955 56.539 57.345 0.249 0.000 1.191 627 W CB 0.896 30.548 29.460 0.319 0.000 1.389 627 W HN 0.844 nan 8.180 nan 0.000 0.561 628 G N 0.949 109.697 108.800 -0.088 0.000 2.601 628 G HA2 0.495 4.455 3.960 -0.000 0.000 0.291 628 G HA3 0.495 4.455 3.960 -0.000 0.000 0.291 628 G C -2.774 172.093 174.900 -0.055 0.000 1.456 628 G CA -0.718 44.197 45.100 -0.308 0.000 0.804 628 G HN 0.615 nan 8.290 nan 0.000 0.499 629 W N 0.982 122.167 121.300 -0.193 0.000 2.666 629 W HA 0.591 5.251 4.660 -0.000 0.000 0.334 629 W C 0.892 177.448 176.519 0.062 0.000 1.051 629 W CA 0.315 57.632 57.345 -0.048 0.000 1.224 629 W CB 1.880 31.305 29.460 -0.058 0.000 1.405 629 W HN 1.284 nan 8.180 nan 0.000 0.513 630 S N 2.961 118.952 115.700 0.486 0.000 4.155 630 S HA -0.434 4.035 4.470 -0.000 0.000 0.576 630 S C 1.135 175.810 174.600 0.126 0.000 1.870 630 S CA 2.028 60.456 58.200 0.380 0.000 4.248 630 S CB -1.875 61.666 63.200 0.569 0.000 0.215 630 S HN 0.737 nan 8.310 nan 0.000 0.460 631 Y N 2.752 123.001 120.300 -0.085 0.000 2.293 631 Y HA 0.184 4.734 4.550 -0.000 0.000 0.291 631 Y C 2.394 178.235 175.900 -0.098 0.000 1.137 631 Y CA 2.203 60.188 58.100 -0.191 0.000 1.202 631 Y CB -0.996 37.156 38.460 -0.514 0.000 0.990 631 Y HN 0.507 nan 8.280 nan 0.000 0.537 632 G N -0.942 107.926 108.800 0.114 0.000 2.422 632 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 632 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 632 G C 1.927 176.890 174.900 0.104 0.000 1.140 632 G CA 0.691 45.869 45.100 0.130 0.000 0.775 632 G HN 0.547 nan 8.290 nan 0.000 0.545 633 G N -0.250 108.612 108.800 0.104 0.000 2.422 633 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.218 633 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.218 633 G C 1.575 176.526 174.900 0.086 0.000 1.140 633 G CA 1.073 46.223 45.100 0.084 0.000 0.775 633 G HN 0.427 nan 8.290 nan 0.000 0.545 634 Y N 1.358 121.590 120.300 -0.112 0.000 2.133 634 Y HA -0.085 4.465 4.550 -0.000 0.000 0.287 634 Y C 2.752 178.592 175.900 -0.099 0.000 1.134 634 Y CA 1.536 59.518 58.100 -0.196 0.000 1.133 634 Y CB -0.526 37.669 38.460 -0.440 0.000 0.987 634 Y HN 0.016 nan 8.280 nan 0.000 0.502 635 V N -0.100 119.732 119.914 -0.136 0.000 2.287 635 V HA -0.340 3.780 4.120 -0.000 0.000 0.248 635 V C 2.337 178.337 176.094 -0.156 0.000 1.053 635 V CA 2.485 64.680 62.300 -0.174 0.000 1.027 635 V CB -1.264 30.613 31.823 0.090 0.000 0.646 635 V HN 0.503 nan 8.190 nan 0.000 0.447 636 T N -0.207 114.314 114.554 -0.055 0.000 2.720 636 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 636 T C 2.136 176.787 174.700 -0.081 0.000 1.037 636 T CA 2.028 64.101 62.100 -0.045 0.000 1.144 636 T CB -0.255 68.668 68.868 0.091 0.000 0.864 636 T HN 0.519 nan 8.240 nan 0.000 0.444 637 S N 0.842 116.524 115.700 -0.030 0.000 2.368 637 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 637 S C 2.137 176.660 174.600 -0.129 0.000 1.029 637 S CA 0.829 59.033 58.200 0.007 0.000 0.988 637 S CB -0.237 63.011 63.200 0.081 0.000 0.838 637 S HN 0.314 nan 8.310 nan 0.000 0.462 638 M N 0.991 120.428 119.600 -0.270 0.000 2.117 638 M HA -0.032 4.448 4.480 -0.000 0.000 0.262 638 M C 2.203 178.344 176.300 -0.265 0.000 1.065 638 M CA 1.082 56.198 55.300 -0.308 0.000 1.114 638 M CB -1.446 30.858 32.600 -0.493 0.000 1.361 638 M HN 0.169 nan 8.290 nan 0.000 0.408 639 V N 0.712 120.457 119.914 -0.282 0.000 2.261 639 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 639 V C 2.503 178.376 176.094 -0.368 0.000 1.047 639 V CA 1.416 63.530 62.300 -0.310 0.000 1.015 639 V CB -0.632 30.927 31.823 -0.440 0.000 0.642 639 V HN 0.412 nan 8.190 nan 0.000 0.446 640 L N 0.374 121.321 121.223 -0.460 0.000 2.353 640 L HA -0.061 4.279 4.340 -0.000 0.000 0.220 640 L C 2.077 178.385 176.870 -0.937 0.000 1.133 640 L CA 1.366 55.828 54.840 -0.631 0.000 0.798 640 L CB -0.680 40.949 42.059 -0.716 0.000 0.922 640 L HN 0.492 nan 8.230 nan 0.000 0.445 641 G N -1.460 106.888 108.800 -0.753 0.000 3.393 641 G HA2 0.008 3.968 3.960 -0.000 0.000 0.255 641 G HA3 0.008 3.968 3.960 -0.000 0.000 0.255 641 G C 1.395 176.156 174.900 -0.231 0.000 1.097 641 G CA 0.522 45.301 45.100 -0.535 0.000 0.780 641 G HN 0.398 nan 8.290 nan 0.000 0.540 642 S N -0.712 114.861 115.700 -0.211 0.000 2.470 642 S HA 0.294 4.764 4.470 -0.000 0.000 0.225 642 S C 1.974 176.529 174.600 -0.074 0.000 1.006 642 S CA 1.031 59.164 58.200 -0.110 0.000 0.934 642 S CB -0.069 63.080 63.200 -0.085 0.000 0.778 642 S HN 1.354 nan 8.310 nan 0.000 0.517 643 G N 1.465 110.211 108.800 -0.091 0.000 2.143 643 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.248 643 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.248 643 G C 0.963 175.854 174.900 -0.016 0.000 0.991 643 G CA 0.911 45.981 45.100 -0.049 0.000 0.689 643 G HN 1.272 nan 8.290 nan 0.000 0.522 644 S N -0.512 115.188 115.700 0.001 0.000 2.442 644 S HA 0.264 4.734 4.470 -0.000 0.000 0.236 644 S C 2.643 177.260 174.600 0.029 0.000 1.007 644 S CA 1.682 59.900 58.200 0.029 0.000 0.965 644 S CB -0.336 62.909 63.200 0.075 0.000 0.773 644 S HN 2.436 nan 8.310 nan 0.000 0.504 645 G N 0.025 108.847 108.800 0.036 0.000 2.220 645 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.269 645 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.269 645 G C 0.822 175.730 174.900 0.013 0.000 0.977 645 G CA 0.475 45.589 45.100 0.024 0.000 0.634 645 G HN 0.735 nan 8.290 nan 0.000 0.539 646 V N -0.393 119.536 119.914 0.024 0.000 2.453 646 V HA 0.225 4.345 4.120 -0.000 0.000 0.247 646 V C 1.247 177.167 176.094 -0.292 0.000 1.048 646 V CA 1.613 63.819 62.300 -0.155 0.000 1.049 646 V CB -0.426 31.245 31.823 -0.252 0.000 0.672 646 V HN 0.301 nan 8.190 nan 0.000 0.457 647 F N -0.282 119.681 119.950 0.021 0.000 2.450 647 F HA 0.436 4.963 4.527 -0.000 0.000 0.332 647 F C 1.063 176.905 175.800 0.070 0.000 1.093 647 F CA -0.868 57.170 58.000 0.063 0.000 1.003 647 F CB 1.417 40.461 39.000 0.072 0.000 1.151 647 F HN -0.276 nan 8.300 nan 0.000 0.474 648 K N 1.236 121.797 120.400 0.269 0.000 2.067 648 K HA 0.106 4.426 4.320 -0.000 0.000 0.203 648 K C -0.022 176.713 176.600 0.224 0.000 1.048 648 K CA 1.034 57.444 56.287 0.205 0.000 0.954 648 K CB 0.244 32.864 32.500 0.200 0.000 0.737 648 K HN 0.809 nan 8.250 nan 0.000 0.444 649 c N -2.583 116.190 118.600 0.288 0.000 3.323 649 c HA 0.913 5.483 4.570 -0.000 0.000 0.324 649 c C -0.172 174.155 174.090 0.396 0.000 1.428 649 c CA -0.596 55.930 56.329 0.329 0.000 1.368 649 c CB 1.103 43.752 42.510 0.233 0.000 1.731 649 c HN 0.399 nan 8.230 nan 0.000 0.455 650 G N -0.098 108.995 108.800 0.489 0.000 2.632 650 G HA2 0.699 4.658 3.960 -0.000 0.000 0.292 650 G HA3 0.699 4.658 3.960 -0.000 0.000 0.292 650 G C -1.984 173.152 174.900 0.394 0.000 1.465 650 G CA -0.692 44.666 45.100 0.430 0.000 0.824 650 G HN 0.995 nan 8.290 nan 0.000 0.509 651 I N 0.503 121.285 120.570 0.353 0.000 2.498 651 I HA 0.651 4.821 4.170 -0.000 0.000 0.290 651 I C 0.094 176.375 176.117 0.273 0.000 1.032 651 I CA -1.043 60.368 61.300 0.186 0.000 1.073 651 I CB 2.361 40.456 38.000 0.159 0.000 1.251 651 I HN 0.667 nan 8.210 nan 0.000 0.426 652 A N 6.281 129.166 122.820 0.108 0.000 2.311 652 A HA 0.756 5.076 4.320 -0.000 0.000 0.306 652 A C -0.813 176.721 177.584 -0.083 0.000 1.189 652 A CA -0.512 51.586 52.037 0.102 0.000 0.791 652 A CB 1.088 20.220 19.000 0.221 0.000 1.172 652 A HN 0.434 nan 8.150 nan 0.000 0.481 653 V N 2.073 121.886 119.914 -0.169 0.000 2.398 653 V HA 0.570 4.690 4.120 -0.000 0.000 0.286 653 V C 1.012 176.733 176.094 -0.622 0.000 1.026 653 V CA 0.325 62.310 62.300 -0.525 0.000 0.868 653 V CB 0.746 31.983 31.823 -0.976 0.000 0.982 653 V HN 2.106 nan 8.190 nan 0.000 0.443 654 A N 5.488 127.916 122.820 -0.654 0.000 2.511 654 A HA -0.106 4.214 4.320 -0.000 0.000 0.297 654 A C -1.662 175.770 177.584 -0.254 0.000 1.476 654 A CA 0.535 52.085 52.037 -0.811 0.000 0.757 654 A CB -1.570 17.081 19.000 -0.582 0.000 1.072 654 A HN 0.640 nan 8.150 nan 0.000 0.413 655 P HA 0.473 nan 4.420 nan 0.000 0.279 655 P C 0.058 177.307 177.300 -0.085 0.000 1.252 655 P CA -0.319 62.752 63.100 -0.048 0.000 0.811 655 P CB 1.432 33.137 31.700 0.008 0.000 1.035 656 V N 1.883 121.643 119.914 -0.256 0.000 2.607 656 V HA 0.113 4.233 4.120 -0.000 0.000 0.289 656 V C 1.656 177.533 176.094 -0.362 0.000 1.053 656 V CA 0.689 62.697 62.300 -0.487 0.000 0.996 656 V CB 0.918 32.050 31.823 -1.150 0.000 0.995 656 V HN 0.818 nan 8.190 nan 0.000 0.476 657 S N 3.640 119.170 115.700 -0.284 0.000 2.575 657 S HA 0.238 4.708 4.470 -0.000 0.000 0.230 657 S C 0.459 174.876 174.600 -0.305 0.000 1.062 657 S CA -0.414 57.686 58.200 -0.167 0.000 0.913 657 S CB 0.291 63.464 63.200 -0.046 0.000 0.837 657 S HN 0.834 nan 8.310 nan 0.000 0.487 658 R N -1.103 119.098 120.500 -0.497 0.000 2.515 658 R HA 0.450 4.790 4.340 -0.000 0.000 0.278 658 R C -0.935 175.041 176.300 -0.541 0.000 1.107 658 R CA -0.876 54.881 56.100 -0.571 0.000 0.945 658 R CB -0.192 29.724 30.300 -0.639 0.000 1.219 658 R HN 0.127 nan 8.270 nan 0.000 0.434 659 W N 1.629 122.818 121.300 -0.184 0.000 2.387 659 W HA -0.085 4.575 4.660 -0.000 0.000 0.272 659 W C 1.036 177.675 176.519 0.200 0.000 1.224 659 W CA 0.911 58.236 57.345 -0.033 0.000 1.210 659 W CB 0.211 29.559 29.460 -0.187 0.000 1.125 659 W HN 0.718 nan 8.180 nan 0.000 0.572 660 E N -1.236 119.140 120.200 0.293 0.000 2.478 660 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 660 E C 1.197 177.961 176.600 0.273 0.000 1.046 660 E CA 0.629 57.167 56.400 0.231 0.000 0.870 660 E CB -0.153 29.580 29.700 0.054 0.000 0.818 660 E HN 0.364 nan 8.360 nan 0.000 0.527 661 Y N -1.477 118.914 120.300 0.152 0.000 2.503 661 Y HA 0.077 4.627 4.550 -0.000 0.000 0.278 661 Y C 0.652 176.640 175.900 0.146 0.000 1.111 661 Y CA -0.377 57.779 58.100 0.093 0.000 1.270 661 Y CB -0.286 38.174 38.460 0.001 0.000 1.063 661 Y HN 0.006 nan 8.280 nan 0.000 0.548 662 Y N 2.215 122.661 120.300 0.243 0.000 2.326 662 Y HA 0.274 4.824 4.550 -0.000 0.000 0.324 662 Y C 0.352 176.464 175.900 0.352 0.000 1.291 662 Y CA -2.051 56.196 58.100 0.246 0.000 1.348 662 Y CB 0.347 38.975 38.460 0.279 0.000 1.294 662 Y HN 0.215 nan 8.280 nan 0.000 0.525 663 D N -0.064 120.034 120.400 -0.502 0.000 2.400 663 D HA 0.039 4.679 4.640 -0.000 0.000 0.238 663 D C 0.930 177.193 176.300 -0.063 0.000 1.157 663 D CA 0.515 54.295 54.000 -0.367 0.000 0.889 663 D CB 0.866 41.228 40.800 -0.730 0.000 1.199 663 D HN 0.497 nan 8.370 nan 0.000 0.436 664 S N 1.469 117.152 115.700 -0.028 0.000 2.348 664 S HA -0.221 4.249 4.470 -0.000 0.000 0.221 664 S C 1.968 176.585 174.600 0.029 0.000 1.033 664 S CA 1.112 59.347 58.200 0.058 0.000 1.010 664 S CB -0.995 62.249 63.200 0.072 0.000 0.891 664 S HN 0.441 nan 8.310 nan 0.000 0.442 665 V N 0.920 120.788 119.914 -0.077 0.000 2.324 665 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 665 V C 2.299 178.288 176.094 -0.175 0.000 1.060 665 V CA 2.317 64.470 62.300 -0.244 0.000 1.042 665 V CB -1.068 30.448 31.823 -0.512 0.000 0.650 665 V HN 0.615 nan 8.190 nan 0.000 0.450 666 Y N 1.316 121.549 120.300 -0.110 0.000 2.130 666 Y HA -0.204 4.346 4.550 -0.000 0.000 0.287 666 Y C 2.754 178.659 175.900 0.008 0.000 1.124 666 Y CA 2.271 60.386 58.100 0.025 0.000 1.118 666 Y CB -0.687 37.966 38.460 0.321 0.000 0.994 666 Y HN 0.220 nan 8.280 nan 0.000 0.497 667 T N 0.385 115.152 114.554 0.356 0.000 2.665 667 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 667 T C 1.562 176.217 174.700 -0.076 0.000 1.035 667 T CA 2.051 64.267 62.100 0.193 0.000 1.151 667 T CB -0.371 68.757 68.868 0.434 0.000 0.862 667 T HN 0.426 nan 8.240 nan 0.000 0.438 668 E N 0.311 120.494 120.200 -0.027 0.000 2.268 668 E HA -0.047 4.303 4.350 -0.000 0.000 0.195 668 E C 2.299 178.754 176.600 -0.242 0.000 0.995 668 E CA 0.318 56.693 56.400 -0.041 0.000 0.836 668 E CB -0.095 29.631 29.700 0.044 0.000 0.763 668 E HN 0.323 nan 8.360 nan 0.000 0.491 669 R N -0.242 119.941 120.500 -0.527 0.000 2.152 669 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 669 R C 0.912 176.565 176.300 -1.080 0.000 1.117 669 R CA 1.464 57.032 56.100 -0.887 0.000 0.981 669 R CB 0.103 29.561 30.300 -1.402 0.000 0.870 669 R HN 0.250 nan 8.270 nan 0.000 0.451 670 Y N -2.891 117.083 120.300 -0.544 0.000 2.526 670 Y HA 0.244 4.794 4.550 -0.000 0.000 0.265 670 Y C 1.620 177.327 175.900 -0.322 0.000 1.092 670 Y CA -0.217 57.567 58.100 -0.526 0.000 1.277 670 Y CB 0.388 38.417 38.460 -0.718 0.000 1.228 670 Y HN -0.075 nan 8.280 nan 0.000 0.507 671 M N -0.118 119.365 119.600 -0.195 0.000 2.414 671 M HA 0.366 4.845 4.480 -0.000 0.000 0.251 671 M C 1.134 177.464 176.300 0.051 0.000 1.116 671 M CA 0.916 56.111 55.300 -0.176 0.000 1.056 671 M CB -0.521 31.783 32.600 -0.493 0.000 1.388 671 M HN 0.383 nan 8.290 nan 0.000 0.487 672 G N 1.641 110.473 108.800 0.052 0.000 2.593 672 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.237 672 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.237 672 G C -0.853 174.172 174.900 0.209 0.000 1.312 672 G CA -0.794 44.371 45.100 0.109 0.000 0.896 672 G HN 0.246 nan 8.290 nan 0.000 0.574 673 L N 2.429 123.741 121.223 0.148 0.000 2.334 673 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 673 L C -1.381 175.444 176.870 -0.075 0.000 1.036 673 L CA -1.830 53.043 54.840 0.056 0.000 0.807 673 L CB 1.501 43.565 42.059 0.009 0.000 1.231 673 L HN 0.438 nan 8.230 nan 0.000 0.438 674 P HA 0.098 nan 4.420 nan 0.000 0.220 674 P C -0.673 176.458 177.300 -0.281 0.000 1.778 674 P CA -0.155 62.511 63.100 -0.723 0.000 0.912 674 P CB -0.419 30.585 31.700 -1.160 0.000 1.861 675 T N -3.065 111.412 114.554 -0.128 0.000 2.908 675 T HA 0.435 4.785 4.350 -0.000 0.000 0.290 675 T C -1.874 172.814 174.700 -0.020 0.000 1.034 675 T CA -2.468 59.595 62.100 -0.062 0.000 1.010 675 T CB 2.059 70.904 68.868 -0.039 0.000 1.068 675 T HN -0.202 nan 8.240 nan 0.000 0.481 676 P HA -0.117 nan 4.420 nan 0.000 0.219 676 P C 0.704 178.014 177.300 0.017 0.000 1.146 676 P CA 1.221 64.327 63.100 0.010 0.000 0.808 676 P CB 0.190 31.894 31.700 0.006 0.000 0.779 677 E N -0.819 119.387 120.200 0.010 0.000 2.358 677 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 677 E C 1.586 178.199 176.600 0.022 0.000 1.010 677 E CA 0.712 57.120 56.400 0.013 0.000 0.856 677 E CB -0.335 29.368 29.700 0.006 0.000 0.795 677 E HN 0.326 nan 8.360 nan 0.000 0.504 678 D N -0.334 120.083 120.400 0.028 0.000 2.910 678 D HA 0.094 4.734 4.640 -0.000 0.000 0.241 678 D C 0.333 176.682 176.300 0.082 0.000 1.346 678 D CA 0.131 54.159 54.000 0.048 0.000 1.227 678 D CB -0.038 40.789 40.800 0.046 0.000 0.926 678 D HN 0.005 nan 8.370 nan 0.000 0.212 679 N N -0.061 118.718 118.700 0.132 0.000 2.291 679 N HA 0.043 4.783 4.740 -0.000 0.000 0.244 679 N C 1.371 177.072 175.510 0.319 0.000 1.216 679 N CA -0.132 53.052 53.050 0.222 0.000 0.879 679 N CB 0.739 39.394 38.487 0.280 0.000 1.167 679 N HN -0.002 nan 8.380 nan 0.000 0.515 680 L N 1.200 122.520 121.223 0.163 0.000 2.051 680 L HA -0.211 4.129 4.340 -0.000 0.000 0.214 680 L C 1.431 178.408 176.870 0.179 0.000 1.076 680 L CA 2.010 56.917 54.840 0.112 0.000 0.758 680 L CB -0.444 41.622 42.059 0.012 0.000 0.890 680 L HN 0.188 nan 8.230 nan 0.000 0.433 681 D N -1.507 118.983 120.400 0.150 0.000 2.104 681 D HA -0.257 4.383 4.640 -0.000 0.000 0.194 681 D C 2.067 178.465 176.300 0.163 0.000 0.994 681 D CA 1.791 55.870 54.000 0.131 0.000 0.830 681 D CB -0.240 40.623 40.800 0.105 0.000 0.959 681 D HN 0.601 nan 8.370 nan 0.000 0.452 682 H N -0.530 118.609 119.070 0.114 0.000 2.389 682 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 682 H C 1.830 177.226 175.328 0.114 0.000 1.081 682 H CA 1.384 57.478 56.048 0.077 0.000 1.345 682 H CB -0.435 29.341 29.762 0.024 0.000 1.393 682 H HN 0.140 nan 8.280 nan 0.000 0.520 683 Y N 0.486 120.783 120.300 -0.004 0.000 2.114 683 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 683 Y C 2.401 178.264 175.900 -0.062 0.000 1.165 683 Y CA 1.792 59.886 58.100 -0.010 0.000 1.148 683 Y CB 0.057 38.544 38.460 0.046 0.000 0.972 683 Y HN 0.148 nan 8.280 nan 0.000 0.504 684 R N -0.218 120.357 120.500 0.124 0.000 2.235 684 R HA -0.056 4.284 4.340 -0.000 0.000 0.213 684 R C 1.201 177.493 176.300 -0.014 0.000 1.059 684 R CA 0.866 56.990 56.100 0.040 0.000 0.997 684 R CB -0.696 29.629 30.300 0.042 0.000 0.884 684 R HN 0.398 nan 8.270 nan 0.000 0.462 685 N N -0.255 118.410 118.700 -0.057 0.000 2.392 685 N HA -0.055 4.685 4.740 -0.000 0.000 0.177 685 N C 0.595 176.027 175.510 -0.130 0.000 1.066 685 N CA 0.528 53.534 53.050 -0.073 0.000 0.895 685 N CB 0.371 38.844 38.487 -0.022 0.000 0.988 685 N HN 0.093 nan 8.380 nan 0.000 0.457 686 S N -0.852 114.717 115.700 -0.219 0.000 2.618 686 S HA 0.101 4.571 4.470 -0.000 0.000 0.242 686 S C 0.506 175.138 174.600 0.052 0.000 0.972 686 S CA -0.666 57.476 58.200 -0.097 0.000 1.004 686 S CB -0.804 62.302 63.200 -0.156 0.000 0.778 686 S HN 0.196 nan 8.310 nan 0.000 0.459 687 T N -1.837 112.705 114.554 -0.020 0.000 2.922 687 T HA 0.515 4.865 4.350 -0.000 0.000 0.285 687 T C 1.223 175.909 174.700 -0.024 0.000 1.005 687 T CA -0.671 61.405 62.100 -0.040 0.000 1.061 687 T CB 1.436 70.248 68.868 -0.094 0.000 1.007 687 T HN -0.045 nan 8.240 nan 0.000 0.502 688 V N 2.537 122.435 119.914 -0.027 0.000 2.453 688 V HA -0.140 3.980 4.120 -0.000 0.000 0.247 688 V C 2.708 178.760 176.094 -0.071 0.000 1.048 688 V CA 1.572 63.845 62.300 -0.046 0.000 1.049 688 V CB -0.804 30.988 31.823 -0.052 0.000 0.672 688 V HN 0.861 nan 8.190 nan 0.000 0.457 689 M N 1.090 120.635 119.600 -0.092 0.000 2.144 689 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 689 M C 2.387 178.648 176.300 -0.065 0.000 1.067 689 M CA 2.288 57.528 55.300 -0.101 0.000 1.095 689 M CB -2.086 30.467 32.600 -0.079 0.000 1.365 689 M HN 0.582 nan 8.290 nan 0.000 0.406 690 S N 0.540 116.214 115.700 -0.043 0.000 2.469 690 S HA -0.067 4.402 4.470 -0.000 0.000 0.238 690 S C 1.810 176.407 174.600 -0.005 0.000 0.998 690 S CA 0.689 58.876 58.200 -0.023 0.000 0.957 690 S CB -0.527 62.660 63.200 -0.021 0.000 0.764 690 S HN 0.588 nan 8.310 nan 0.000 0.514 691 R N 0.590 121.097 120.500 0.012 0.000 2.359 691 R HA 0.430 4.770 4.340 -0.000 0.000 0.231 691 R C 2.227 178.616 176.300 0.148 0.000 0.913 691 R CA 0.415 56.553 56.100 0.064 0.000 1.075 691 R CB -0.299 30.046 30.300 0.076 0.000 1.087 691 R HN 0.489 nan 8.270 nan 0.000 0.515 692 A N 1.693 124.539 122.820 0.042 0.000 1.903 692 A HA -0.311 4.009 4.320 -0.000 0.000 0.219 692 A C 2.035 179.678 177.584 0.098 0.000 1.191 692 A CA 2.032 54.060 52.037 -0.015 0.000 0.638 692 A CB -0.349 18.591 19.000 -0.101 0.000 0.823 692 A HN 0.290 nan 8.150 nan 0.000 0.451 693 E N 0.481 120.723 120.200 0.069 0.000 2.097 693 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 693 E C 1.624 178.280 176.600 0.094 0.000 1.000 693 E CA 2.052 58.493 56.400 0.069 0.000 0.804 693 E CB -0.574 29.150 29.700 0.041 0.000 0.740 693 E HN 0.801 nan 8.360 nan 0.000 0.454 694 N N -1.280 117.479 118.700 0.097 0.000 2.520 694 N HA -0.084 4.656 4.740 -0.000 0.000 0.185 694 N C 0.707 176.222 175.510 0.009 0.000 1.068 694 N CA 0.287 53.357 53.050 0.033 0.000 0.911 694 N CB -0.119 38.344 38.487 -0.041 0.000 0.961 694 N HN 0.138 nan 8.380 nan 0.000 0.446 695 F N 1.434 121.344 119.950 -0.066 0.000 2.699 695 F HA 0.058 4.585 4.527 -0.000 0.000 0.298 695 F C 1.798 177.609 175.800 0.019 0.000 1.154 695 F CA 0.579 58.541 58.000 -0.063 0.000 1.457 695 F CB 0.024 38.942 39.000 -0.137 0.000 1.106 695 F HN -0.085 nan 8.300 nan 0.000 0.585 696 K N -0.384 120.118 120.400 0.170 0.000 2.280 696 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 696 K C 1.509 178.169 176.600 0.100 0.000 1.047 696 K CA 0.783 57.148 56.287 0.131 0.000 0.942 696 K CB -0.052 32.505 32.500 0.095 0.000 0.739 696 K HN 0.207 nan 8.250 nan 0.000 0.457 697 Q N 0.194 120.033 119.800 0.064 0.000 2.280 697 Q HA 0.053 4.393 4.340 -0.000 0.000 0.201 697 Q C 0.417 176.451 176.000 0.056 0.000 0.890 697 Q CA 0.231 56.062 55.803 0.047 0.000 0.947 697 Q CB 0.633 29.381 28.738 0.017 0.000 1.081 697 Q HN 0.186 nan 8.270 nan 0.000 0.502 698 V N -3.466 116.496 119.914 0.080 0.000 3.182 698 V HA 0.542 4.662 4.120 -0.000 0.000 0.308 698 V C -0.916 175.311 176.094 0.222 0.000 1.240 698 V CA -1.286 61.083 62.300 0.116 0.000 1.063 698 V CB 2.320 34.163 31.823 0.034 0.000 1.076 698 V HN -0.054 nan 8.190 nan 0.000 0.446 699 E N 1.143 121.509 120.200 0.277 0.000 2.109 699 E HA 0.453 4.803 4.350 -0.000 0.000 0.278 699 E C -1.932 175.024 176.600 0.593 0.000 0.954 699 E CA -0.362 56.277 56.400 0.399 0.000 0.779 699 E CB 1.788 31.673 29.700 0.307 0.000 1.093 699 E HN 0.666 nan 8.360 nan 0.000 0.401 700 Y N 3.491 124.045 120.300 0.424 0.000 2.393 700 Y HA 0.428 4.978 4.550 -0.000 0.000 0.341 700 Y C -1.420 174.581 175.900 0.168 0.000 0.988 700 Y CA -1.233 57.075 58.100 0.347 0.000 1.078 700 Y CB 0.996 39.736 38.460 0.467 0.000 1.203 700 Y HN 0.437 nan 8.280 nan 0.000 0.453 701 L N 8.188 129.152 121.223 -0.432 0.000 2.343 701 L HA 0.488 4.828 4.340 -0.000 0.000 0.278 701 L C -1.767 174.665 176.870 -0.730 0.000 0.996 701 L CA -0.740 53.694 54.840 -0.678 0.000 0.831 701 L CB 1.046 42.390 42.059 -1.193 0.000 1.232 701 L HN 0.680 nan 8.230 nan 0.000 0.413 702 L N 6.557 127.432 121.223 -0.581 0.000 2.287 702 L HA 0.574 4.914 4.340 -0.000 0.000 0.287 702 L C -0.837 175.909 176.870 -0.207 0.000 1.022 702 L CA -0.457 54.103 54.840 -0.467 0.000 0.814 702 L CB 1.481 43.340 42.059 -0.334 0.000 1.217 702 L HN 0.622 nan 8.230 nan 0.000 0.420 703 I N 3.937 124.396 120.570 -0.184 0.000 2.689 703 I HA 0.522 4.692 4.170 -0.000 0.000 0.299 703 I C -0.812 175.269 176.117 -0.061 0.000 1.059 703 I CA -0.769 60.473 61.300 -0.098 0.000 1.055 703 I CB 2.098 40.019 38.000 -0.131 0.000 1.243 703 I HN 0.519 nan 8.210 nan 0.000 0.425 704 H N 2.324 121.398 119.070 0.007 0.000 3.112 704 H HA 0.377 4.933 4.556 -0.000 0.000 0.347 704 H C -0.956 174.562 175.328 0.316 0.000 1.188 704 H CA -0.621 55.456 56.048 0.048 0.000 1.240 704 H CB 2.419 32.076 29.762 -0.175 0.000 1.920 704 H HN 0.761 nan 8.280 nan 0.000 0.535 705 G N 1.190 110.341 108.800 0.586 0.000 2.339 705 G HA2 0.246 4.206 3.960 -0.000 0.000 0.287 705 G HA3 0.246 4.206 3.960 -0.000 0.000 0.287 705 G C 1.147 176.393 174.900 0.578 0.000 1.163 705 G CA 0.201 45.620 45.100 0.532 0.000 0.872 705 G HN 0.656 nan 8.290 nan 0.000 0.464 706 T N -0.241 114.538 114.554 0.375 0.000 2.881 706 T HA -0.018 4.332 4.350 -0.000 0.000 0.270 706 T C 1.763 176.467 174.700 0.007 0.000 1.068 706 T CA 1.405 63.542 62.100 0.063 0.000 1.131 706 T CB 0.100 68.876 68.868 -0.154 0.000 0.871 706 T HN 0.678 nan 8.240 nan 0.000 0.479 707 A N 0.989 123.872 122.820 0.105 0.000 2.577 707 A HA 0.290 4.610 4.320 -0.000 0.000 0.280 707 A C 0.468 178.018 177.584 -0.056 0.000 1.331 707 A CA -0.491 51.550 52.037 0.007 0.000 0.935 707 A CB -0.314 18.936 19.000 0.416 0.000 1.082 707 A HN 0.407 nan 8.150 nan 0.000 0.525 708 D N 1.537 121.942 120.400 0.008 0.000 2.342 708 D HA -0.017 4.623 4.640 -0.000 0.000 0.260 708 D C 0.347 176.638 176.300 -0.016 0.000 1.278 708 D CA 0.148 54.250 54.000 0.171 0.000 0.910 708 D CB 0.660 41.721 40.800 0.435 0.000 1.079 708 D HN 0.566 nan 8.370 nan 0.000 0.496 709 D N 2.690 123.110 120.400 0.034 0.000 2.277 709 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 709 D C 1.071 177.334 176.300 -0.061 0.000 0.962 709 D CA 0.067 54.015 54.000 -0.086 0.000 0.865 709 D CB 0.321 40.958 40.800 -0.271 0.000 0.939 709 D HN 0.239 nan 8.370 nan 0.000 0.510 710 N N 0.932 119.703 118.700 0.119 0.000 2.202 710 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 710 N C -0.016 175.467 175.510 -0.046 0.000 1.054 710 N CA 0.616 53.764 53.050 0.163 0.000 0.877 710 N CB 0.158 38.678 38.487 0.056 0.000 1.057 710 N HN -0.075 nan 8.380 nan 0.000 0.456 711 V N 2.771 122.673 119.914 -0.020 0.000 2.320 711 V HA 0.181 4.301 4.120 -0.000 0.000 0.265 711 V C -0.486 175.702 176.094 0.157 0.000 1.048 711 V CA -0.380 61.943 62.300 0.037 0.000 0.865 711 V CB -0.247 31.623 31.823 0.078 0.000 1.043 711 V HN 0.301 nan 8.190 nan 0.000 0.474 712 H N 3.538 122.601 119.070 -0.013 0.000 2.897 712 H HA 0.012 4.568 4.556 -0.000 0.000 0.347 712 H C 0.802 176.004 175.328 -0.211 0.000 1.068 712 H CA -0.217 55.748 56.048 -0.137 0.000 1.426 712 H CB 0.836 30.435 29.762 -0.272 0.000 1.410 712 H HN 0.637 nan 8.280 nan 0.000 0.597 713 F N 2.168 121.912 119.950 -0.344 0.000 2.184 713 F HA -0.331 4.196 4.527 -0.000 0.000 0.301 713 F C 2.627 178.158 175.800 -0.448 0.000 1.076 713 F CA 1.823 59.404 58.000 -0.699 0.000 1.295 713 F CB -0.139 38.627 39.000 -0.390 0.000 1.026 713 F HN 0.676 nan 8.300 nan 0.000 0.494 714 Q N 0.119 119.844 119.800 -0.126 0.000 2.156 714 Q HA -0.321 4.019 4.340 -0.000 0.000 0.211 714 Q C 2.086 177.911 176.000 -0.292 0.000 0.995 714 Q CA 2.255 57.931 55.803 -0.212 0.000 0.877 714 Q CB -0.372 28.180 28.738 -0.311 0.000 0.920 714 Q HN 0.558 nan 8.270 nan 0.000 0.416 715 Q N -0.084 119.575 119.800 -0.234 0.000 2.045 715 Q HA -0.151 4.189 4.340 -0.000 0.000 0.206 715 Q C 2.321 178.254 176.000 -0.112 0.000 0.991 715 Q CA 1.917 57.687 55.803 -0.055 0.000 0.851 715 Q CB -0.278 28.477 28.738 0.028 0.000 0.911 715 Q HN 0.364 nan 8.270 nan 0.000 0.418 716 S N 0.723 116.256 115.700 -0.278 0.000 2.387 716 S HA -0.026 4.444 4.470 -0.000 0.000 0.226 716 S C 2.044 176.453 174.600 -0.319 0.000 1.026 716 S CA 0.774 58.795 58.200 -0.299 0.000 0.972 716 S CB -0.154 62.806 63.200 -0.401 0.000 0.814 716 S HN 0.487 nan 8.310 nan 0.000 0.477 717 A N 1.250 123.835 122.820 -0.391 0.000 1.978 717 A HA -0.132 4.188 4.320 -0.000 0.000 0.220 717 A C 2.107 179.645 177.584 -0.076 0.000 1.170 717 A CA 1.144 53.094 52.037 -0.145 0.000 0.636 717 A CB -0.353 18.655 19.000 0.014 0.000 0.810 717 A HN 0.368 nan 8.150 nan 0.000 0.448 718 Q N -0.658 119.094 119.800 -0.080 0.000 2.212 718 Q HA 0.081 4.421 4.340 -0.000 0.000 0.199 718 Q C 2.081 178.045 176.000 -0.060 0.000 0.950 718 Q CA 0.733 56.525 55.803 -0.017 0.000 0.863 718 Q CB -0.211 28.589 28.738 0.104 0.000 0.944 718 Q HN 0.773 nan 8.270 nan 0.000 0.465 719 I N 1.198 121.704 120.570 -0.106 0.000 2.202 719 I HA -0.271 3.899 4.170 -0.000 0.000 0.242 719 I C 2.499 178.451 176.117 -0.275 0.000 1.091 719 I CA 1.497 62.685 61.300 -0.187 0.000 1.368 719 I CB -0.380 37.516 38.000 -0.174 0.000 1.058 719 I HN 0.176 nan 8.210 nan 0.000 0.410 720 S N 0.753 116.320 115.700 -0.221 0.000 2.382 720 S HA -0.265 4.205 4.470 -0.000 0.000 0.228 720 S C 2.018 176.569 174.600 -0.082 0.000 1.027 720 S CA 1.366 59.443 58.200 -0.206 0.000 0.991 720 S CB -0.405 62.865 63.200 0.117 0.000 0.823 720 S HN 0.377 nan 8.310 nan 0.000 0.469 721 K N 1.670 122.043 120.400 -0.045 0.000 2.057 721 K HA 0.063 4.383 4.320 -0.000 0.000 0.206 721 K C 2.325 178.901 176.600 -0.041 0.000 1.050 721 K CA 1.098 57.378 56.287 -0.011 0.000 0.935 721 K CB -0.672 31.827 32.500 -0.002 0.000 0.715 721 K HN 0.434 nan 8.250 nan 0.000 0.439 722 A N 1.108 123.875 122.820 -0.088 0.000 1.933 722 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 722 A C 2.079 179.590 177.584 -0.122 0.000 1.175 722 A CA 1.281 53.259 52.037 -0.097 0.000 0.628 722 A CB -0.570 18.354 19.000 -0.126 0.000 0.814 722 A HN 0.322 nan 8.150 nan 0.000 0.444 723 L N -0.745 120.352 121.223 -0.210 0.000 2.056 723 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 723 L C 2.518 179.377 176.870 -0.018 0.000 1.078 723 L CA 0.952 55.661 54.840 -0.219 0.000 0.749 723 L CB -0.545 41.180 42.059 -0.556 0.000 0.901 723 L HN 0.242 nan 8.230 nan 0.000 0.433 724 V N -0.169 119.771 119.914 0.044 0.000 2.343 724 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 724 V C 2.004 178.132 176.094 0.056 0.000 1.051 724 V CA 1.861 64.225 62.300 0.107 0.000 1.036 724 V CB -0.533 31.360 31.823 0.117 0.000 0.654 724 V HN 0.423 nan 8.190 nan 0.000 0.451 725 D N -0.268 120.147 120.400 0.025 0.000 2.218 725 D HA -0.111 4.529 4.640 -0.000 0.000 0.204 725 D C 1.850 178.162 176.300 0.019 0.000 0.976 725 D CA 0.970 54.981 54.000 0.018 0.000 0.853 725 D CB -0.055 40.748 40.800 0.005 0.000 0.939 725 D HN 0.344 nan 8.370 nan 0.000 0.481 726 V N -0.643 119.281 119.914 0.015 0.000 3.650 726 V HA 0.201 4.321 4.120 -0.000 0.000 0.271 726 V C 1.321 177.440 176.094 0.043 0.000 1.281 726 V CA 0.790 63.103 62.300 0.022 0.000 1.120 726 V CB 0.197 32.026 31.823 0.010 0.000 0.856 726 V HN 0.374 nan 8.190 nan 0.000 0.443 727 G N 0.745 109.580 108.800 0.058 0.000 2.204 727 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 727 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 727 G C -0.073 174.889 174.900 0.102 0.000 1.062 727 G CA 0.183 45.329 45.100 0.075 0.000 0.798 727 G HN 0.385 nan 8.290 nan 0.000 0.496 728 V N 0.540 120.532 119.914 0.131 0.000 2.370 728 V HA 0.456 4.576 4.120 -0.000 0.000 0.283 728 V C 0.286 176.568 176.094 0.315 0.000 1.023 728 V CA -0.525 61.886 62.300 0.185 0.000 0.857 728 V CB 1.725 33.641 31.823 0.154 0.000 0.985 728 V HN 0.442 nan 8.190 nan 0.000 0.443 729 D N 4.591 125.153 120.400 0.270 0.000 2.308 729 D HA 0.536 5.176 4.640 -0.000 0.000 0.251 729 D C -0.561 175.969 176.300 0.383 0.000 1.127 729 D CA 0.117 54.270 54.000 0.255 0.000 0.876 729 D CB 0.573 41.452 40.800 0.132 0.000 1.176 729 D HN 0.339 nan 8.370 nan 0.000 0.446 730 F N 0.291 120.317 119.950 0.127 0.000 2.715 730 F HA 0.509 5.036 4.527 -0.000 0.000 0.318 730 F C -1.225 174.625 175.800 0.083 0.000 1.141 730 F CA -1.142 56.955 58.000 0.161 0.000 0.950 730 F CB 0.714 39.849 39.000 0.226 0.000 1.374 730 F HN 0.126 nan 8.300 nan 0.000 0.477 731 Q N 1.112 120.888 119.800 -0.040 0.000 2.257 731 Q HA 0.829 5.169 4.340 -0.000 0.000 0.262 731 Q C -0.896 175.000 176.000 -0.172 0.000 0.997 731 Q CA -0.997 54.704 55.803 -0.170 0.000 0.873 731 Q CB 2.336 31.048 28.738 -0.043 0.000 1.312 731 Q HN 1.048 nan 8.270 nan 0.000 0.450 732 A N 1.397 124.110 122.820 -0.178 0.000 2.593 732 A HA 0.866 5.186 4.320 -0.000 0.000 0.290 732 A C -1.475 176.025 177.584 -0.141 0.000 1.126 732 A CA -0.570 51.411 52.037 -0.092 0.000 0.695 732 A CB 2.148 21.152 19.000 0.006 0.000 1.290 732 A HN 0.628 nan 8.150 nan 0.000 0.414 733 M N 0.616 120.131 119.600 -0.142 0.000 2.319 733 M HA 0.519 4.999 4.480 -0.000 0.000 0.265 733 M C -2.167 174.007 176.300 -0.211 0.000 1.038 733 M CA -0.431 54.649 55.300 -0.366 0.000 0.946 733 M CB 0.905 33.211 32.600 -0.489 0.000 1.984 733 M HN 1.089 nan 8.290 nan 0.000 0.482 734 W N 4.241 125.407 121.300 -0.223 0.000 2.509 734 W HA 0.820 5.480 4.660 -0.000 0.000 0.351 734 W C -1.988 174.311 176.519 -0.367 0.000 1.107 734 W CA -0.877 56.441 57.345 -0.046 0.000 1.264 734 W CB 0.460 29.956 29.460 0.059 0.000 1.312 734 W HN 0.619 nan 8.180 nan 0.000 0.608 735 Y N 2.147 122.628 120.300 0.302 0.000 2.363 735 Y HA 0.294 4.844 4.550 -0.000 0.000 0.325 735 Y C 0.704 176.740 175.900 0.227 0.000 0.984 735 Y CA -1.160 57.017 58.100 0.129 0.000 1.248 735 Y CB 1.455 39.944 38.460 0.048 0.000 1.116 735 Y HN 0.648 nan 8.280 nan 0.000 0.470 736 T N 0.153 114.895 114.554 0.314 0.000 2.902 736 T HA 0.085 4.434 4.350 -0.000 0.000 0.301 736 T C 0.431 175.192 174.700 0.101 0.000 1.012 736 T CA 0.110 62.300 62.100 0.150 0.000 1.151 736 T CB 0.336 69.197 68.868 -0.011 0.000 0.946 736 T HN 0.768 nan 8.240 nan 0.000 0.542 737 D N 0.414 120.849 120.400 0.058 0.000 3.077 737 D HA -0.119 4.521 4.640 -0.000 0.000 0.217 737 D C -0.199 176.243 176.300 0.238 0.000 1.162 737 D CA 1.113 55.103 54.000 -0.016 0.000 0.943 737 D CB -0.617 39.932 40.800 -0.417 0.000 1.122 737 D HN 0.739 nan 8.370 nan 0.000 0.413 738 E N 1.149 121.502 120.200 0.255 0.000 2.197 738 E HA 0.277 4.627 4.350 -0.000 0.000 0.281 738 E C 0.731 177.518 176.600 0.312 0.000 0.995 738 E CA -0.366 56.200 56.400 0.277 0.000 0.808 738 E CB 1.349 31.200 29.700 0.251 0.000 1.093 738 E HN 0.311 nan 8.360 nan 0.000 0.394 739 D N 0.595 121.191 120.400 0.328 0.000 2.342 739 D HA -0.065 4.575 4.640 -0.000 0.000 0.284 739 D C 1.202 177.737 176.300 0.393 0.000 1.198 739 D CA 0.040 54.254 54.000 0.356 0.000 1.061 739 D CB -0.082 40.952 40.800 0.390 0.000 1.130 739 D HN 0.425 nan 8.370 nan 0.000 0.541 740 H N -1.517 117.739 119.070 0.311 0.000 2.421 740 H HA 0.058 4.614 4.556 -0.000 0.000 0.298 740 H C 2.014 177.612 175.328 0.450 0.000 1.087 740 H CA 2.266 58.526 56.048 0.353 0.000 1.330 740 H CB -0.520 29.432 29.762 0.317 0.000 1.388 740 H HN 0.474 nan 8.280 nan 0.000 0.526 741 G N -0.105 108.870 108.800 0.292 0.000 2.464 741 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 741 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 741 G C 0.691 175.784 174.900 0.322 0.000 1.138 741 G CA 0.396 45.589 45.100 0.155 0.000 0.793 741 G HN 0.541 nan 8.290 nan 0.000 0.539 742 I N -0.110 120.651 120.570 0.319 0.000 6.697 742 I HA -0.304 3.866 4.170 -0.000 0.000 0.126 742 I C 1.409 177.656 176.117 0.217 0.000 1.764 742 I CA 0.115 61.553 61.300 0.228 0.000 2.245 742 I CB -1.365 36.742 38.000 0.178 0.000 3.404 742 I HN 0.255 nan 8.210 nan 0.000 0.228 743 A N 0.955 123.876 122.820 0.169 0.000 2.423 743 A HA 0.357 4.677 4.320 -0.000 0.000 0.246 743 A C 1.148 178.780 177.584 0.080 0.000 1.278 743 A CA 0.516 52.615 52.037 0.103 0.000 0.903 743 A CB 0.073 19.098 19.000 0.042 0.000 0.997 743 A HN 0.636 nan 8.150 nan 0.000 0.510 744 S N -0.784 114.982 115.700 0.110 0.000 2.584 744 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 744 S C 1.256 175.915 174.600 0.098 0.000 1.346 744 S CA 0.344 58.602 58.200 0.097 0.000 1.018 744 S CB 1.147 64.411 63.200 0.108 0.000 0.899 744 S HN 0.424 nan 8.310 nan 0.000 0.542 745 S N 1.632 117.377 115.700 0.076 0.000 2.359 745 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 745 S C 2.118 176.782 174.600 0.107 0.000 1.038 745 S CA 2.373 60.620 58.200 0.078 0.000 1.051 745 S CB -1.619 61.610 63.200 0.049 0.000 0.944 745 S HN 1.038 nan 8.310 nan 0.000 0.433 746 T N -0.062 114.546 114.554 0.089 0.000 2.821 746 T HA 0.145 4.495 4.350 -0.000 0.000 0.267 746 T C 1.944 176.710 174.700 0.111 0.000 1.046 746 T CA 1.320 63.477 62.100 0.094 0.000 1.139 746 T CB -0.843 68.072 68.868 0.079 0.000 0.871 746 T HN 0.460 nan 8.240 nan 0.000 0.454 747 A N 1.312 124.182 122.820 0.082 0.000 1.930 747 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 747 A C 2.180 179.740 177.584 -0.040 0.000 1.175 747 A CA 1.857 53.882 52.037 -0.021 0.000 0.627 747 A CB -1.121 17.843 19.000 -0.061 0.000 0.815 747 A HN 0.714 nan 8.150 nan 0.000 0.443 748 H N 0.039 119.107 119.070 -0.004 0.000 2.293 748 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 748 H C 2.112 177.510 175.328 0.117 0.000 1.082 748 H CA 2.371 58.468 56.048 0.082 0.000 1.308 748 H CB -0.286 29.524 29.762 0.079 0.000 1.375 748 H HN 0.558 nan 8.280 nan 0.000 0.495 749 Q N -1.039 118.759 119.800 -0.004 0.000 2.124 749 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 749 Q C 2.196 178.181 176.000 -0.025 0.000 0.977 749 Q CA 1.376 57.135 55.803 -0.073 0.000 0.850 749 Q CB -0.176 28.558 28.738 -0.007 0.000 0.901 749 Q HN 0.632 nan 8.270 nan 0.000 0.429 750 H N 0.637 119.683 119.070 -0.040 0.000 2.363 750 H HA -0.033 4.523 4.556 -0.000 0.000 0.301 750 H C 1.956 177.287 175.328 0.005 0.000 1.074 750 H CA 1.169 57.228 56.048 0.020 0.000 1.354 750 H CB 0.055 29.884 29.762 0.111 0.000 1.397 750 H HN 0.284 nan 8.280 nan 0.000 0.516 751 I N -0.052 120.511 120.570 -0.013 0.000 2.353 751 I HA -0.281 3.889 4.170 -0.000 0.000 0.248 751 I C 1.706 177.596 176.117 -0.378 0.000 1.119 751 I CA 0.975 62.175 61.300 -0.167 0.000 1.417 751 I CB -0.242 37.455 38.000 -0.505 0.000 1.078 751 I HN 0.088 nan 8.210 nan 0.000 0.421 752 Y N 0.980 121.069 120.300 -0.351 0.000 2.352 752 Y HA -0.177 4.373 4.550 -0.000 0.000 0.292 752 Y C 2.674 178.346 175.900 -0.379 0.000 1.136 752 Y CA 1.752 59.501 58.100 -0.584 0.000 1.227 752 Y CB -0.737 37.366 38.460 -0.595 0.000 0.991 752 Y HN 0.157 nan 8.280 nan 0.000 0.545 753 T N -1.844 112.631 114.554 -0.130 0.000 2.770 753 T HA -0.199 4.151 4.350 -0.000 0.000 0.263 753 T C 1.563 176.197 174.700 -0.111 0.000 1.039 753 T CA 1.727 63.738 62.100 -0.149 0.000 1.142 753 T CB -0.429 68.350 68.868 -0.148 0.000 0.868 753 T HN 0.385 nan 8.240 nan 0.000 0.435 754 H N 0.946 119.935 119.070 -0.135 0.000 2.353 754 H HA 0.098 4.654 4.556 -0.000 0.000 0.300 754 H C 2.098 177.438 175.328 0.021 0.000 1.090 754 H CA 1.537 57.577 56.048 -0.013 0.000 1.327 754 H CB -0.247 29.494 29.762 -0.035 0.000 1.383 754 H HN 0.262 nan 8.280 nan 0.000 0.508 755 M N -1.026 118.542 119.600 -0.052 0.000 2.319 755 M HA -0.122 4.358 4.480 -0.000 0.000 0.265 755 M C 2.351 178.778 176.300 0.212 0.000 1.068 755 M CA 1.176 56.447 55.300 -0.049 0.000 1.118 755 M CB 0.171 32.506 32.600 -0.442 0.000 1.395 755 M HN 0.175 nan 8.290 nan 0.000 0.435 756 S N -0.657 115.169 115.700 0.210 0.000 2.355 756 S HA -0.130 4.340 4.470 -0.000 0.000 0.222 756 S C 1.723 176.394 174.600 0.118 0.000 1.031 756 S CA 0.927 59.319 58.200 0.320 0.000 0.993 756 S CB -0.492 62.865 63.200 0.262 0.000 0.859 756 S HN 0.469 nan 8.310 nan 0.000 0.453 757 H N -0.205 118.916 119.070 0.085 0.000 2.387 757 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 757 H C 1.965 177.282 175.328 -0.019 0.000 1.099 757 H CA 1.277 57.327 56.048 0.004 0.000 1.315 757 H CB -0.626 29.091 29.762 -0.074 0.000 1.380 757 H HN 0.424 nan 8.280 nan 0.000 0.513 758 F N 1.162 121.095 119.950 -0.029 0.000 2.113 758 F HA -0.167 4.360 4.527 -0.000 0.000 0.297 758 F C 2.284 178.025 175.800 -0.098 0.000 1.103 758 F CA 0.829 58.781 58.000 -0.080 0.000 1.248 758 F CB -0.238 38.700 39.000 -0.103 0.000 0.999 758 F HN -0.042 nan 8.300 nan 0.000 0.475 759 I N 0.579 121.117 120.570 -0.054 0.000 2.202 759 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 759 I C 2.266 178.142 176.117 -0.401 0.000 1.091 759 I CA 1.288 62.378 61.300 -0.349 0.000 1.368 759 I CB -1.255 36.609 38.000 -0.227 0.000 1.058 759 I HN 0.161 nan 8.210 nan 0.000 0.410 760 K N 0.540 120.862 120.400 -0.131 0.000 2.032 760 K HA -0.244 4.076 4.320 -0.000 0.000 0.209 760 K C 1.986 178.556 176.600 -0.050 0.000 1.048 760 K CA 1.334 57.605 56.287 -0.026 0.000 0.927 760 K CB -0.439 32.097 32.500 0.059 0.000 0.712 760 K HN 0.461 nan 8.250 nan 0.000 0.441 761 Q N 1.284 121.016 119.800 -0.112 0.000 2.020 761 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 761 Q C 2.380 178.273 176.000 -0.178 0.000 0.982 761 Q CA 1.909 57.634 55.803 -0.131 0.000 0.838 761 Q CB -0.556 28.082 28.738 -0.167 0.000 0.899 761 Q HN 0.392 nan 8.270 nan 0.000 0.423 762 c N 0.302 118.682 118.600 -0.366 0.000 2.413 762 c HA -0.153 4.417 4.570 -0.000 0.000 0.276 762 c C 2.437 176.533 174.090 0.010 0.000 1.248 762 c CA 0.727 56.869 56.329 -0.311 0.000 1.742 762 c CB -1.365 40.805 42.510 -0.567 0.000 2.017 762 c HN 0.599 nan 8.230 nan 0.000 0.481 763 F N 1.383 121.284 119.950 -0.081 0.000 2.085 763 F HA 0.207 4.734 4.527 -0.000 0.000 0.284 763 F C 2.164 177.943 175.800 -0.034 0.000 1.127 763 F CA 0.759 58.735 58.000 -0.040 0.000 1.164 763 F CB -1.701 37.284 39.000 -0.026 0.000 1.035 763 F HN 0.053 nan 8.300 nan 0.000 0.481 764 S N 0.000 115.815 115.700 0.192 0.000 2.498 764 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 764 S CA 0.000 58.256 58.200 0.093 0.000 1.107 764 S CB 0.000 63.242 63.200 0.071 0.000 0.593 764 S HN 0.000 nan 8.310 nan 0.000 0.517