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 1p84_1_A DATA FIRST_RESID 27 DATA SEQUENCE AEVTQLSNGI VVATEHNPSA HTASVGVVFG SGAANENPYN NGVSNLWKNI DATA SEQUENCE FLSKENSAVA AKEGLALSSN ISRDFQSYIV SSLPGSTDKS LDFLNQSFIQ DATA SEQUENCE QKANLLSSSN FEATKKSVLK QVQDFEDNDH PNRVLEHLHS TAFQNTPLSL DATA SEQUENCE PTRGTLESLE NLVVADLESF ANNHFLNSNA VVVGTGNIKH EDLVNSIESK DATA SEQUENCE NLSLQTGTKP VLKKKAAFLG SEVRLRDDTL PKAWISLAVE GEPVNSPNYF DATA SEQUENCE VAKLAAQIFG SYNAFEPASR LQGIKLLDNI QEYQLCDNFN HFSLSYKDSG DATA SEQUENCE LWGFSTATRN VTMIDDLIHF TLKQWNRLTI SVTDTEVERA KSLLKLQLGQ DATA SEQUENCE LYESGNPVND ANLLGAEVLI KGSKLSLGEA FKKIDAITVK DVKAWAGKRL DATA SEQUENCE WDQDIAIAGT GQIEGLLDYM RIRSDMSMMR W 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 27 A HA 0.000 nan 4.320 nan 0.000 0.244 27 A C 0.000 177.498 177.584 -0.144 0.000 1.274 27 A CA 0.000 51.958 52.037 -0.131 0.000 0.836 27 A CB 0.000 18.937 19.000 -0.105 0.000 0.831 28 E N 0.451 120.522 120.200 -0.216 0.000 2.158 28 E HA 0.469 4.819 4.350 -0.000 0.000 0.271 28 E C -0.944 175.576 176.600 -0.133 0.000 0.911 28 E CA -0.647 55.645 56.400 -0.179 0.000 0.767 28 E CB 2.460 32.022 29.700 -0.229 0.000 1.120 28 E HN 0.144 nan 8.360 nan 0.000 0.405 29 V N 3.691 123.552 119.914 -0.088 0.000 2.259 29 V HA 0.143 4.263 4.120 -0.000 0.000 0.267 29 V C 0.159 176.191 176.094 -0.103 0.000 1.051 29 V CA -0.527 61.719 62.300 -0.091 0.000 0.830 29 V CB 0.434 32.208 31.823 -0.081 0.000 1.080 29 V HN 0.657 nan 8.190 nan 0.000 0.467 30 T N 1.862 116.331 114.554 -0.141 0.000 2.767 30 T HA 0.675 5.025 4.350 -0.000 0.000 0.284 30 T C -0.625 173.783 174.700 -0.487 0.000 0.973 30 T CA -0.630 61.287 62.100 -0.305 0.000 0.996 30 T CB 2.038 70.687 68.868 -0.365 0.000 0.927 30 T HN 0.568 nan 8.240 nan 0.000 0.456 31 Q N 3.295 122.861 119.800 -0.391 0.000 2.281 31 Q HA 0.501 4.841 4.340 -0.000 0.000 0.263 31 Q C -2.195 173.763 176.000 -0.070 0.000 0.989 31 Q CA -0.671 54.990 55.803 -0.237 0.000 0.852 31 Q CB 1.930 30.590 28.738 -0.131 0.000 1.337 31 Q HN 0.839 nan 8.270 nan 0.000 0.418 32 L N 1.536 122.808 121.223 0.082 0.000 2.388 32 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 32 L C -0.571 176.340 176.870 0.069 0.000 0.998 32 L CA -0.740 54.170 54.840 0.116 0.000 0.817 32 L CB 2.470 44.660 42.059 0.220 0.000 1.338 32 L HN 0.550 nan 8.230 nan 0.000 0.414 33 S N 0.697 116.417 115.700 0.034 0.000 2.449 33 S HA 0.475 4.945 4.470 -0.000 0.000 0.310 33 S C -0.030 174.575 174.600 0.009 0.000 1.096 33 S CA -0.526 57.683 58.200 0.016 0.000 1.095 33 S CB 0.858 64.063 63.200 0.007 0.000 1.007 33 S HN 0.780 nan 8.310 nan 0.000 0.474 34 N N 3.275 121.975 118.700 0.001 0.000 2.677 34 N HA 0.318 5.058 4.740 -0.000 0.000 0.242 34 N C 1.235 176.743 175.510 -0.004 0.000 1.044 34 N CA -0.007 53.040 53.050 -0.004 0.000 0.934 34 N CB 0.029 38.509 38.487 -0.013 0.000 1.595 34 N HN 0.557 nan 8.380 nan 0.000 0.459 35 G N -0.098 108.699 108.800 -0.005 0.000 2.448 35 G HA2 0.375 4.335 3.960 -0.000 0.000 0.205 35 G HA3 0.375 4.335 3.960 -0.000 0.000 0.205 35 G C -0.131 174.768 174.900 -0.003 0.000 1.409 35 G CA -0.192 44.906 45.100 -0.003 0.000 0.562 35 G HN 0.052 nan 8.290 nan 0.000 1.078 36 I N 1.545 122.110 120.570 -0.008 0.000 2.474 36 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 36 I C -0.466 175.642 176.117 -0.015 0.000 1.005 36 I CA -1.141 60.150 61.300 -0.014 0.000 1.113 36 I CB 2.742 40.726 38.000 -0.027 0.000 1.289 36 I HN -0.126 nan 8.210 nan 0.000 0.436 37 V N 7.941 127.844 119.914 -0.019 0.000 2.387 37 V HA 0.228 4.348 4.120 -0.000 0.000 0.260 37 V C -0.118 175.961 176.094 -0.024 0.000 1.054 37 V CA -0.057 62.233 62.300 -0.016 0.000 0.967 37 V CB 0.897 32.708 31.823 -0.020 0.000 1.036 37 V HN 0.458 nan 8.190 nan 0.000 0.481 38 V N 7.348 127.268 119.914 0.009 0.000 2.407 38 V HA 0.776 4.896 4.120 -0.000 0.000 0.278 38 V C 0.551 176.673 176.094 0.047 0.000 1.037 38 V CA 0.105 62.423 62.300 0.030 0.000 0.900 38 V CB 1.066 32.929 31.823 0.067 0.000 0.983 38 V HN 1.074 nan 8.190 nan 0.000 0.459 39 A N 4.025 126.838 122.820 -0.012 0.000 2.371 39 A HA 0.951 5.271 4.320 -0.000 0.000 0.311 39 A C -0.066 177.491 177.584 -0.045 0.000 1.068 39 A CA -0.382 51.617 52.037 -0.063 0.000 0.744 39 A CB 1.793 20.735 19.000 -0.096 0.000 1.239 39 A HN 0.961 nan 8.150 nan 0.000 0.435 40 T N -1.044 113.469 114.554 -0.067 0.000 2.894 40 T HA 0.713 5.063 4.350 -0.000 0.000 0.309 40 T C -1.007 173.693 174.700 -0.001 0.000 1.208 40 T CA -0.580 61.517 62.100 -0.004 0.000 1.016 40 T CB 1.902 70.827 68.868 0.095 0.000 1.192 40 T HN 0.670 nan 8.240 nan 0.000 0.491 41 E N 1.485 121.703 120.200 0.030 0.000 2.502 41 E HA 0.278 4.628 4.350 -0.000 0.000 0.261 41 E C -0.801 175.827 176.600 0.046 0.000 0.974 41 E CA -0.737 55.668 56.400 0.007 0.000 0.795 41 E CB 0.520 30.175 29.700 -0.075 0.000 1.385 41 E HN 0.917 nan 8.360 nan 0.000 0.400 42 H N 1.896 120.947 119.070 -0.030 0.000 2.652 42 H HA 0.400 4.956 4.556 -0.000 0.000 0.349 42 H C -0.240 175.079 175.328 -0.015 0.000 1.099 42 H CA -0.730 55.309 56.048 -0.015 0.000 1.417 42 H CB 0.930 30.691 29.762 -0.002 0.000 1.457 42 H HN 0.206 nan 8.280 nan 0.000 0.568 43 N N 4.271 122.998 118.700 0.044 0.000 2.594 43 N HA 0.068 4.808 4.740 -0.000 0.000 0.280 43 N C -2.200 173.331 175.510 0.034 0.000 1.156 43 N CA -1.709 51.338 53.050 -0.005 0.000 0.831 43 N CB 1.690 40.168 38.487 -0.015 0.000 1.379 43 N HN 0.484 nan 8.380 nan 0.000 0.536 44 P HA -0.203 nan 4.420 nan 0.000 0.208 44 P C 0.357 177.676 177.300 0.032 0.000 0.999 44 P CA 1.359 64.482 63.100 0.040 0.000 0.988 44 P CB -0.466 31.252 31.700 0.031 0.000 0.745 45 S N -0.496 115.224 115.700 0.033 0.000 2.466 45 S HA 0.432 4.902 4.470 -0.000 0.000 0.286 45 S C 0.693 175.339 174.600 0.078 0.000 1.221 45 S CA -0.017 58.215 58.200 0.054 0.000 1.091 45 S CB 0.361 63.596 63.200 0.058 0.000 0.956 45 S HN 0.492 nan 8.310 nan 0.000 0.501 46 A N 2.445 125.330 122.820 0.108 0.000 1.998 46 A HA 0.394 4.714 4.320 -0.000 0.000 0.180 46 A C 0.825 178.536 177.584 0.213 0.000 1.858 46 A CA 0.605 52.713 52.037 0.119 0.000 1.403 46 A CB -0.544 18.497 19.000 0.067 0.000 1.550 46 A HN 1.044 nan 8.150 nan 0.000 0.385 47 H N -0.247 118.826 119.070 0.006 0.000 4.796 47 H HA -0.179 4.377 4.556 -0.000 0.000 0.086 47 H C 0.737 176.068 175.328 0.004 0.000 0.585 47 H CA 2.448 58.499 56.048 0.005 0.000 1.116 47 H CB -1.521 28.243 29.762 0.004 0.000 0.488 47 H HN 0.955 nan 8.280 nan 0.000 0.720 48 T N -2.172 112.456 114.554 0.123 0.000 2.831 48 T HA 0.915 5.265 4.350 -0.000 0.000 0.287 48 T C -0.637 174.088 174.700 0.042 0.000 1.070 48 T CA -0.287 61.853 62.100 0.066 0.000 1.010 48 T CB 2.826 71.729 68.868 0.058 0.000 1.264 48 T HN 0.937 nan 8.240 nan 0.000 0.532 49 A N 0.344 123.181 122.820 0.028 0.000 2.547 49 A HA 0.755 5.075 4.320 -0.000 0.000 0.297 49 A C -0.771 176.822 177.584 0.016 0.000 1.056 49 A CA -0.806 51.243 52.037 0.021 0.000 0.688 49 A CB 1.612 20.622 19.000 0.017 0.000 1.282 49 A HN 0.862 nan 8.150 nan 0.000 0.400 50 S N 0.005 115.712 115.700 0.011 0.000 2.521 50 S HA 0.761 5.231 4.470 -0.000 0.000 0.295 50 S C -0.693 173.908 174.600 0.002 0.000 1.098 50 S CA -0.515 57.691 58.200 0.010 0.000 0.999 50 S CB 1.717 64.921 63.200 0.008 0.000 1.034 50 S HN 0.934 nan 8.310 nan 0.000 0.483 51 V N 1.202 121.122 119.914 0.009 0.000 2.962 51 V HA 1.039 5.159 4.120 -0.000 0.000 0.313 51 V C 0.439 176.530 176.094 -0.005 0.000 1.099 51 V CA -0.405 61.892 62.300 -0.005 0.000 0.971 51 V CB 1.783 33.609 31.823 0.004 0.000 1.028 51 V HN 1.139 nan 8.190 nan 0.000 0.430 52 G N 0.638 109.405 108.800 -0.056 0.000 2.320 52 G HA2 0.495 4.455 3.960 -0.000 0.000 0.296 52 G HA3 0.495 4.455 3.960 -0.000 0.000 0.296 52 G C -2.090 172.685 174.900 -0.208 0.000 1.306 52 G CA 0.011 45.053 45.100 -0.098 0.000 0.836 52 G HN 0.953 nan 8.290 nan 0.000 0.517 53 V N -0.731 118.982 119.914 -0.335 0.000 2.715 53 V HA 0.847 4.967 4.120 -0.000 0.000 0.310 53 V C -0.813 174.946 176.094 -0.559 0.000 1.054 53 V CA -0.672 61.315 62.300 -0.522 0.000 0.928 53 V CB 1.867 33.214 31.823 -0.794 0.000 1.007 53 V HN 0.975 nan 8.190 nan 0.000 0.437 54 V N 6.453 126.020 119.914 -0.579 0.000 2.525 54 V HA 0.514 4.634 4.120 -0.000 0.000 0.299 54 V C -0.769 175.078 176.094 -0.412 0.000 1.034 54 V CA -0.489 61.574 62.300 -0.395 0.000 0.863 54 V CB 1.486 33.158 31.823 -0.251 0.000 0.999 54 V HN 0.748 nan 8.190 nan 0.000 0.423 55 F N 1.675 121.650 119.950 0.041 0.000 2.399 55 F HA 0.555 5.082 4.527 -0.000 0.000 0.334 55 F C 1.419 177.303 175.800 0.140 0.000 1.097 55 F CA -0.442 57.605 58.000 0.078 0.000 1.076 55 F CB 1.416 40.482 39.000 0.109 0.000 1.162 55 F HN 0.583 nan 8.300 nan 0.000 0.495 56 G N 1.381 110.363 108.800 0.302 0.000 3.397 56 G HA2 0.297 4.257 3.960 -0.000 0.000 0.248 56 G HA3 0.297 4.257 3.960 -0.000 0.000 0.248 56 G C -0.445 174.589 174.900 0.223 0.000 1.284 56 G CA -0.004 45.233 45.100 0.229 0.000 1.570 56 G HN 0.445 nan 8.290 nan 0.000 0.587 57 S N -1.615 114.238 115.700 0.256 0.000 2.592 57 S HA 0.693 5.163 4.470 -0.000 0.000 0.275 57 S C 0.264 174.971 174.600 0.177 0.000 1.169 57 S CA -0.230 58.059 58.200 0.149 0.000 0.958 57 S CB 1.881 65.102 63.200 0.035 0.000 1.095 57 S HN 0.596 nan 8.310 nan 0.000 0.471 58 G N 1.042 109.896 108.800 0.090 0.000 3.247 58 G HA2 0.683 4.643 3.960 -0.000 0.000 0.199 58 G HA3 0.683 4.643 3.960 -0.000 0.000 0.199 58 G C 0.900 175.802 174.900 0.003 0.000 1.172 58 G CA 0.031 45.160 45.100 0.049 0.000 0.844 58 G HN 0.786 nan 8.290 nan 0.000 0.619 59 A N -0.513 122.252 122.820 -0.091 0.000 2.024 59 A HA 0.246 4.566 4.320 -0.000 0.000 0.220 59 A C 2.405 179.919 177.584 -0.116 0.000 1.164 59 A CA 2.467 54.429 52.037 -0.125 0.000 0.643 59 A CB -0.747 18.149 19.000 -0.173 0.000 0.806 59 A HN 1.454 nan 8.150 nan 0.000 0.451 60 A N -0.496 122.252 122.820 -0.119 0.000 2.239 60 A HA -0.003 4.317 4.320 -0.000 0.000 0.209 60 A C 1.439 178.992 177.584 -0.052 0.000 1.171 60 A CA 0.924 52.893 52.037 -0.113 0.000 0.768 60 A CB -0.388 18.528 19.000 -0.141 0.000 0.790 60 A HN 0.629 nan 8.150 nan 0.000 0.478 61 N N -0.378 118.306 118.700 -0.028 0.000 2.197 61 N HA 0.043 4.782 4.740 -0.000 0.000 0.201 61 N C -0.021 175.532 175.510 0.072 0.000 1.148 61 N CA 0.035 53.083 53.050 -0.003 0.000 0.883 61 N CB 0.623 39.028 38.487 -0.136 0.000 1.012 61 N HN 0.626 nan 8.380 nan 0.000 0.507 62 E N 1.140 121.364 120.200 0.040 0.000 2.385 62 E HA 0.224 4.574 4.350 -0.000 0.000 0.254 62 E C -0.486 176.127 176.600 0.020 0.000 1.228 62 E CA -0.184 56.235 56.400 0.031 0.000 0.956 62 E CB 0.714 30.351 29.700 -0.104 0.000 1.116 62 E HN 0.093 nan 8.360 nan 0.000 0.507 63 N N -0.526 118.182 118.700 0.014 0.000 2.457 63 N HA 0.184 4.924 4.740 -0.000 0.000 0.290 63 N C -2.221 173.237 175.510 -0.088 0.000 1.232 63 N CA -1.363 51.691 53.050 0.006 0.000 0.852 63 N CB 1.419 39.960 38.487 0.090 0.000 1.313 63 N HN 0.124 nan 8.380 nan 0.000 0.522 64 P HA -0.101 nan 4.420 nan 0.000 0.220 64 P C 0.018 176.992 177.300 -0.542 0.000 1.148 64 P CA 1.359 64.201 63.100 -0.430 0.000 0.803 64 P CB 0.084 31.391 31.700 -0.655 0.000 0.782 65 Y N -0.911 119.383 120.300 -0.010 0.000 2.503 65 Y HA 0.068 4.618 4.550 -0.000 0.000 0.278 65 Y C 1.567 177.454 175.900 -0.022 0.000 1.111 65 Y CA 0.556 58.649 58.100 -0.012 0.000 1.270 65 Y CB -0.833 37.625 38.460 -0.003 0.000 1.063 65 Y HN 0.104 nan 8.280 nan 0.000 0.548 66 N N -0.783 117.958 118.700 0.069 0.000 2.214 66 N HA 0.019 4.759 4.740 -0.000 0.000 0.214 66 N C -0.315 175.146 175.510 -0.082 0.000 1.132 66 N CA -0.331 52.724 53.050 0.008 0.000 0.856 66 N CB -0.130 38.374 38.487 0.029 0.000 1.020 66 N HN -0.035 nan 8.380 nan 0.000 0.509 67 N N 0.794 119.439 118.700 -0.091 0.000 2.411 67 N HA 0.218 4.958 4.740 -0.000 0.000 0.265 67 N C 1.079 176.510 175.510 -0.132 0.000 1.266 67 N CA 1.675 54.647 53.050 -0.130 0.000 0.889 67 N CB 0.229 38.638 38.487 -0.131 0.000 1.069 67 N HN 0.467 nan 8.380 nan 0.000 0.476 68 G N 1.406 110.107 108.800 -0.165 0.000 2.192 68 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.193 68 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.193 68 G C 0.747 175.552 174.900 -0.159 0.000 0.999 68 G CA 0.098 45.110 45.100 -0.146 0.000 0.659 68 G HN 0.625 nan 8.290 nan 0.000 0.503 69 V N 1.169 120.941 119.914 -0.237 0.000 2.295 69 V HA -0.093 4.027 4.120 -0.000 0.000 0.246 69 V C 2.622 178.624 176.094 -0.152 0.000 1.049 69 V CA 3.430 65.571 62.300 -0.266 0.000 1.024 69 V CB -0.333 31.214 31.823 -0.460 0.000 0.648 69 V HN 0.432 nan 8.190 nan 0.000 0.447 70 S N 0.655 116.229 115.700 -0.210 0.000 2.382 70 S HA -0.208 4.262 4.470 -0.000 0.000 0.228 70 S C 1.848 176.547 174.600 0.166 0.000 1.027 70 S CA 1.854 60.114 58.200 0.101 0.000 0.991 70 S CB -0.659 62.562 63.200 0.035 0.000 0.823 70 S HN 0.768 nan 8.310 nan 0.000 0.469 71 N N 1.169 119.879 118.700 0.017 0.000 2.244 71 N HA -0.031 4.709 4.740 -0.000 0.000 0.183 71 N C 1.548 177.088 175.510 0.051 0.000 1.016 71 N CA 0.619 53.674 53.050 0.007 0.000 0.866 71 N CB -0.402 38.041 38.487 -0.074 0.000 0.980 71 N HN 0.178 nan 8.380 nan 0.000 0.430 72 L N -0.592 120.641 121.223 0.016 0.000 2.027 72 L HA 0.028 4.368 4.340 -0.000 0.000 0.206 72 L C 1.755 178.677 176.870 0.086 0.000 1.074 72 L CA 1.426 56.252 54.840 -0.024 0.000 0.745 72 L CB -1.107 40.879 42.059 -0.122 0.000 0.898 72 L HN 0.300 nan 8.230 nan 0.000 0.433 73 W N 0.429 121.835 121.300 0.176 0.000 2.317 73 W HA -0.300 4.360 4.660 -0.000 0.000 0.318 73 W C 2.787 179.540 176.519 0.390 0.000 1.227 73 W CA 1.959 59.483 57.345 0.300 0.000 1.269 73 W CB -0.244 29.480 29.460 0.440 0.000 1.155 73 W HN 0.098 nan 8.180 nan 0.000 0.484 74 K N 0.364 121.137 120.400 0.622 0.000 2.089 74 K HA -0.260 4.060 4.320 -0.000 0.000 0.210 74 K C 1.634 178.470 176.600 0.392 0.000 1.048 74 K CA 1.874 58.432 56.287 0.452 0.000 0.926 74 K CB -0.597 32.010 32.500 0.179 0.000 0.714 74 K HN 0.200 nan 8.250 nan 0.000 0.448 75 N N 1.046 119.903 118.700 0.261 0.000 2.244 75 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 75 N C 1.990 177.620 175.510 0.201 0.000 1.016 75 N CA 1.551 54.708 53.050 0.178 0.000 0.866 75 N CB -0.095 38.432 38.487 0.066 0.000 0.980 75 N HN 0.497 nan 8.380 nan 0.000 0.430 76 I N -2.397 118.321 120.570 0.248 0.000 2.480 76 I HA -0.033 4.137 4.170 -0.000 0.000 0.251 76 I C 2.141 178.445 176.117 0.312 0.000 1.124 76 I CA 0.654 62.086 61.300 0.220 0.000 1.444 76 I CB -0.637 37.460 38.000 0.162 0.000 1.098 76 I HN -0.185 nan 8.210 nan 0.000 0.428 77 F N 2.296 122.434 119.950 0.313 0.000 2.333 77 F HA -0.019 4.508 4.527 -0.000 0.000 0.300 77 F C 1.675 177.656 175.800 0.302 0.000 1.083 77 F CA 1.520 59.724 58.000 0.340 0.000 1.395 77 F CB 0.132 39.437 39.000 0.508 0.000 1.056 77 F HN -0.008 nan 8.300 nan 0.000 0.529 78 L N -0.702 120.777 121.223 0.426 0.000 2.728 78 L HA 0.161 4.501 4.340 -0.000 0.000 0.238 78 L C 1.129 178.095 176.870 0.160 0.000 1.143 78 L CA -0.274 54.735 54.840 0.282 0.000 0.937 78 L CB -0.406 41.826 42.059 0.288 0.000 1.225 78 L HN -0.055 nan 8.230 nan 0.000 0.507 79 S N 0.596 116.381 115.700 0.142 0.000 2.566 79 S HA -0.065 4.405 4.470 -0.000 0.000 0.280 79 S C 1.423 176.065 174.600 0.071 0.000 1.343 79 S CA 0.003 58.258 58.200 0.092 0.000 1.036 79 S CB 1.065 64.314 63.200 0.083 0.000 0.866 79 S HN 0.313 nan 8.310 nan 0.000 0.526 80 K N 2.189 122.621 120.400 0.053 0.000 2.089 80 K HA -0.201 4.119 4.320 -0.000 0.000 0.210 80 K C 1.812 178.439 176.600 0.046 0.000 1.048 80 K CA 2.176 58.489 56.287 0.043 0.000 0.926 80 K CB -0.159 32.359 32.500 0.031 0.000 0.714 80 K HN 0.737 nan 8.250 nan 0.000 0.448 81 E N 0.010 120.239 120.200 0.047 0.000 2.001 81 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 81 E C 1.978 178.619 176.600 0.068 0.000 1.002 81 E CA 1.444 57.873 56.400 0.048 0.000 0.819 81 E CB -0.265 29.459 29.700 0.040 0.000 0.769 81 E HN 0.317 nan 8.360 nan 0.000 0.454 82 N N 0.369 119.112 118.700 0.071 0.000 2.149 82 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 82 N C 1.786 177.418 175.510 0.204 0.000 1.019 82 N CA 1.291 54.408 53.050 0.112 0.000 0.857 82 N CB -0.133 38.366 38.487 0.021 0.000 0.997 82 N HN -0.073 nan 8.380 nan 0.000 0.426 83 S N -1.169 114.594 115.700 0.105 0.000 2.406 83 S HA 0.105 4.575 4.470 -0.000 0.000 0.228 83 S C 1.794 176.409 174.600 0.024 0.000 1.020 83 S CA 0.940 59.173 58.200 0.055 0.000 0.965 83 S CB -0.378 62.852 63.200 0.050 0.000 0.798 83 S HN 0.514 nan 8.310 nan 0.000 0.488 84 A N 0.513 123.361 122.820 0.047 0.000 2.014 84 A HA 0.067 4.387 4.320 -0.000 0.000 0.218 84 A C 2.174 179.782 177.584 0.039 0.000 1.163 84 A CA 1.214 53.270 52.037 0.032 0.000 0.652 84 A CB -0.605 18.416 19.000 0.035 0.000 0.808 84 A HN 0.416 nan 8.150 nan 0.000 0.449 85 V N -0.231 119.743 119.914 0.101 0.000 2.307 85 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 85 V C 2.973 179.112 176.094 0.075 0.000 1.045 85 V CA 1.932 64.329 62.300 0.162 0.000 1.024 85 V CB -1.084 30.936 31.823 0.329 0.000 0.651 85 V HN 0.570 nan 8.190 nan 0.000 0.449 86 A N -0.365 122.358 122.820 -0.161 0.000 2.066 86 A HA 0.130 4.450 4.320 -0.000 0.000 0.218 86 A C 2.329 179.748 177.584 -0.276 0.000 1.157 86 A CA 1.486 53.171 52.037 -0.587 0.000 0.670 86 A CB -0.481 17.686 19.000 -1.388 0.000 0.804 86 A HN 0.528 nan 8.150 nan 0.000 0.453 87 A N -0.007 122.723 122.820 -0.150 0.000 1.929 87 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 87 A C 2.082 179.634 177.584 -0.053 0.000 1.176 87 A CA 1.456 53.442 52.037 -0.085 0.000 0.628 87 A CB -0.288 18.684 19.000 -0.046 0.000 0.816 87 A HN 0.306 nan 8.150 nan 0.000 0.444 88 K N -0.203 120.177 120.400 -0.033 0.000 2.063 88 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 88 K C 1.750 178.339 176.600 -0.019 0.000 1.048 88 K CA 1.678 57.958 56.287 -0.013 0.000 0.928 88 K CB -0.284 32.221 32.500 0.007 0.000 0.713 88 K HN 0.514 nan 8.250 nan 0.000 0.442 89 E N -0.205 119.974 120.200 -0.034 0.000 2.478 89 E HA -0.046 4.304 4.350 -0.000 0.000 0.198 89 E C 0.421 176.993 176.600 -0.047 0.000 1.046 89 E CA 0.687 57.067 56.400 -0.034 0.000 0.870 89 E CB -0.126 29.550 29.700 -0.041 0.000 0.818 89 E HN 0.472 nan 8.360 nan 0.000 0.527 90 G N 0.011 108.777 108.800 -0.057 0.000 2.204 90 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 90 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 90 G C -0.532 174.328 174.900 -0.067 0.000 1.062 90 G CA 0.278 45.349 45.100 -0.048 0.000 0.798 90 G HN 0.115 nan 8.290 nan 0.000 0.496 91 L N 0.018 121.172 121.223 -0.116 0.000 2.333 91 L HA 0.951 5.291 4.340 -0.000 0.000 0.269 91 L C 0.455 177.243 176.870 -0.136 0.000 1.010 91 L CA -0.405 54.349 54.840 -0.144 0.000 0.818 91 L CB 1.963 43.867 42.059 -0.259 0.000 1.306 91 L HN 0.658 nan 8.230 nan 0.000 0.430 92 A N 2.804 125.574 122.820 -0.084 0.000 2.350 92 A HA 0.879 5.199 4.320 -0.000 0.000 0.324 92 A C -1.114 176.471 177.584 0.001 0.000 1.118 92 A CA -0.504 51.510 52.037 -0.039 0.000 0.783 92 A CB 0.934 19.930 19.000 -0.006 0.000 1.236 92 A HN 0.608 nan 8.150 nan 0.000 0.457 93 L N 1.145 122.397 121.223 0.048 0.000 2.331 93 L HA 0.732 5.072 4.340 -0.000 0.000 0.275 93 L C 0.030 177.015 176.870 0.191 0.000 1.022 93 L CA -0.361 54.582 54.840 0.172 0.000 0.812 93 L CB 2.084 44.274 42.059 0.217 0.000 1.257 93 L HN 0.685 nan 8.230 nan 0.000 0.435 94 S N 0.716 116.562 115.700 0.242 0.000 2.533 94 S HA 0.617 5.087 4.470 -0.000 0.000 0.271 94 S C -1.250 173.407 174.600 0.096 0.000 1.143 94 S CA -0.556 57.731 58.200 0.146 0.000 0.891 94 S CB 2.156 65.403 63.200 0.080 0.000 1.105 94 S HN 0.598 nan 8.310 nan 0.000 0.468 95 S N 2.153 117.865 115.700 0.021 0.000 2.550 95 S HA 0.688 5.157 4.470 -0.000 0.000 0.270 95 S C -2.070 172.459 174.600 -0.118 0.000 1.145 95 S CA -0.728 57.383 58.200 -0.148 0.000 0.852 95 S CB 1.423 64.480 63.200 -0.239 0.000 1.119 95 S HN 0.762 nan 8.310 nan 0.000 0.465 96 N N 3.482 122.078 118.700 -0.173 0.000 2.369 96 N HA 0.335 5.075 4.740 -0.000 0.000 0.287 96 N C -1.681 173.733 175.510 -0.159 0.000 1.067 96 N CA -0.479 52.505 53.050 -0.110 0.000 0.888 96 N CB 1.123 39.594 38.487 -0.026 0.000 1.616 96 N HN 0.528 nan 8.380 nan 0.000 0.482 97 I N 1.922 122.392 120.570 -0.167 0.000 2.336 97 I HA 0.327 4.497 4.170 -0.000 0.000 0.292 97 I C 0.746 176.683 176.117 -0.300 0.000 0.991 97 I CA -0.254 60.928 61.300 -0.197 0.000 1.227 97 I CB 0.844 38.768 38.000 -0.127 0.000 1.366 97 I HN 0.474 nan 8.210 nan 0.000 0.466 98 S N 5.227 120.645 115.700 -0.470 0.000 2.874 98 S HA 0.541 5.011 4.470 -0.000 0.000 0.318 98 S C 1.119 175.482 174.600 -0.395 0.000 1.109 98 S CA -0.530 57.343 58.200 -0.544 0.000 0.878 98 S CB 1.700 64.230 63.200 -1.116 0.000 1.307 98 S HN 0.618 nan 8.310 nan 0.000 0.592 99 R N 0.237 120.543 120.500 -0.324 0.000 2.057 99 R HA 0.105 4.445 4.340 -0.000 0.000 0.224 99 R C 0.824 177.025 176.300 -0.166 0.000 1.136 99 R CA 1.443 57.381 56.100 -0.270 0.000 0.968 99 R CB -0.276 29.770 30.300 -0.423 0.000 0.863 99 R HN 0.581 nan 8.270 nan 0.000 0.433 100 D N -0.306 120.057 120.400 -0.061 0.000 2.333 100 D HA 0.027 4.667 4.640 -0.000 0.000 0.208 100 D C 0.390 176.801 176.300 0.186 0.000 0.984 100 D CA 0.677 54.732 54.000 0.092 0.000 0.873 100 D CB 0.400 41.341 40.800 0.235 0.000 0.935 100 D HN 0.087 nan 8.370 nan 0.000 0.521 101 F N -0.598 119.389 119.950 0.062 0.000 2.726 101 F HA 0.645 5.172 4.527 -0.000 0.000 0.324 101 F C -1.122 174.725 175.800 0.079 0.000 1.140 101 F CA -1.221 56.826 58.000 0.077 0.000 0.964 101 F CB 1.556 40.585 39.000 0.047 0.000 1.399 101 F HN -0.375 nan 8.300 nan 0.000 0.491 102 Q N 0.918 120.956 119.800 0.397 0.000 2.377 102 Q HA 0.645 4.985 4.340 -0.000 0.000 0.279 102 Q C -1.921 174.208 176.000 0.215 0.000 1.049 102 Q CA -0.759 55.180 55.803 0.227 0.000 0.825 102 Q CB 2.507 31.452 28.738 0.345 0.000 1.401 102 Q HN 1.072 nan 8.270 nan 0.000 0.404 103 S N 1.333 116.968 115.700 -0.109 0.000 2.536 103 S HA 0.646 5.115 4.470 -0.000 0.000 0.271 103 S C -1.739 172.470 174.600 -0.652 0.000 1.134 103 S CA -0.575 57.483 58.200 -0.236 0.000 0.897 103 S CB 0.818 63.980 63.200 -0.064 0.000 1.094 103 S HN 0.500 nan 8.310 nan 0.000 0.473 104 Y N 1.750 121.900 120.300 -0.250 0.000 2.331 104 Y HA 0.695 5.245 4.550 -0.000 0.000 0.334 104 Y C -0.146 175.627 175.900 -0.211 0.000 0.960 104 Y CA -0.843 57.003 58.100 -0.424 0.000 1.130 104 Y CB 1.450 39.501 38.460 -0.682 0.000 1.164 104 Y HN 0.661 nan 8.280 nan 0.000 0.458 105 I N 3.553 124.148 120.570 0.041 0.000 2.647 105 I HA 0.592 4.762 4.170 -0.000 0.000 0.295 105 I C -1.158 175.093 176.117 0.223 0.000 1.078 105 I CA -1.236 60.125 61.300 0.103 0.000 1.048 105 I CB 2.317 40.333 38.000 0.027 0.000 1.239 105 I HN 0.193 nan 8.210 nan 0.000 0.421 106 V N 3.625 123.642 119.914 0.172 0.000 2.407 106 V HA 0.393 4.513 4.120 -0.000 0.000 0.291 106 V C -0.107 176.024 176.094 0.060 0.000 1.018 106 V CA -0.522 61.861 62.300 0.139 0.000 0.842 106 V CB 1.472 33.387 31.823 0.154 0.000 0.996 106 V HN 0.739 nan 8.190 nan 0.000 0.426 107 S N 3.263 118.985 115.700 0.036 0.000 2.585 107 S HA 0.851 5.321 4.470 -0.000 0.000 0.277 107 S C 0.171 174.770 174.600 -0.001 0.000 1.241 107 S CA -0.423 57.788 58.200 0.018 0.000 1.041 107 S CB 1.598 64.810 63.200 0.020 0.000 0.987 107 S HN 1.096 nan 8.310 nan 0.000 0.512 108 S N 1.653 117.355 115.700 0.004 0.000 2.672 108 S HA 0.672 5.142 4.470 -0.000 0.000 0.271 108 S C -1.172 173.432 174.600 0.007 0.000 1.171 108 S CA -0.860 57.339 58.200 -0.003 0.000 0.817 108 S CB 0.297 63.493 63.200 -0.007 0.000 1.150 108 S HN 0.340 nan 8.310 nan 0.000 0.478 109 L N 2.212 123.437 121.223 0.004 0.000 2.466 109 L HA 0.468 4.808 4.340 -0.000 0.000 0.257 109 L C -1.185 175.687 176.870 0.003 0.000 1.189 109 L CA -1.754 53.091 54.840 0.007 0.000 0.813 109 L CB 0.037 42.097 42.059 0.002 0.000 1.118 109 L HN 0.609 nan 8.230 nan 0.000 0.471 110 P HA -0.087 nan 4.420 nan 0.000 0.225 110 P C 0.947 178.242 177.300 -0.008 0.000 1.148 110 P CA 1.275 64.372 63.100 -0.005 0.000 0.779 110 P CB 0.239 31.930 31.700 -0.015 0.000 0.780 111 G N 0.007 108.801 108.800 -0.009 0.000 2.459 111 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.213 111 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.213 111 G C 1.266 176.163 174.900 -0.005 0.000 1.155 111 G CA 0.126 45.221 45.100 -0.009 0.000 0.811 111 G HN 0.212 nan 8.290 nan 0.000 0.534 112 S N 0.672 116.370 115.700 -0.003 0.000 2.840 112 S HA 0.069 4.539 4.470 -0.000 0.000 0.235 112 S C 1.820 176.422 174.600 0.004 0.000 0.968 112 S CA 0.426 58.626 58.200 0.000 0.000 1.026 112 S CB -0.052 63.147 63.200 -0.002 0.000 0.788 112 S HN 0.386 nan 8.310 nan 0.000 0.487 113 T N 0.846 115.401 114.554 0.002 0.000 3.077 113 T HA -0.133 4.217 4.350 -0.000 0.000 0.269 113 T C 1.232 175.936 174.700 0.006 0.000 1.146 113 T CA 1.449 63.551 62.100 0.003 0.000 1.091 113 T CB -0.222 68.644 68.868 -0.002 0.000 0.892 113 T HN 0.538 nan 8.240 nan 0.000 0.533 114 D N -0.570 119.835 120.400 0.008 0.000 2.431 114 D HA 0.131 4.771 4.640 -0.000 0.000 0.235 114 D C 2.019 178.337 176.300 0.029 0.000 0.980 114 D CA 0.292 54.300 54.000 0.013 0.000 0.912 114 D CB 0.106 40.910 40.800 0.007 0.000 1.056 114 D HN 0.034 nan 8.370 nan 0.000 0.494 115 K N 0.049 120.468 120.400 0.031 0.000 2.360 115 K HA 0.077 4.397 4.320 -0.000 0.000 0.201 115 K C 1.824 178.472 176.600 0.080 0.000 1.046 115 K CA 0.522 56.839 56.287 0.050 0.000 0.945 115 K CB -0.099 32.420 32.500 0.033 0.000 0.750 115 K HN 0.000 nan 8.250 nan 0.000 0.464 116 S N 0.167 115.906 115.700 0.064 0.000 2.395 116 S HA 0.056 4.526 4.470 -0.000 0.000 0.225 116 S C 1.616 176.291 174.600 0.126 0.000 1.027 116 S CA 0.565 58.821 58.200 0.092 0.000 0.965 116 S CB -0.060 63.173 63.200 0.055 0.000 0.812 116 S HN 0.191 nan 8.310 nan 0.000 0.482 117 L N 1.420 122.688 121.223 0.076 0.000 2.275 117 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 117 L C 1.906 178.819 176.870 0.072 0.000 1.119 117 L CA 0.844 55.717 54.840 0.055 0.000 0.790 117 L CB -0.423 41.649 42.059 0.022 0.000 0.919 117 L HN 0.231 nan 8.230 nan 0.000 0.443 118 D N -0.388 120.070 120.400 0.096 0.000 2.120 118 D HA -0.165 4.475 4.640 -0.000 0.000 0.202 118 D C 1.936 178.310 176.300 0.124 0.000 0.972 118 D CA 1.115 55.171 54.000 0.093 0.000 0.837 118 D CB -0.036 40.820 40.800 0.094 0.000 0.989 118 D HN 0.203 nan 8.370 nan 0.000 0.469 119 F N 1.440 121.412 119.950 0.037 0.000 2.293 119 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 119 F C 2.047 177.901 175.800 0.090 0.000 1.086 119 F CA 0.575 58.602 58.000 0.046 0.000 1.375 119 F CB 0.085 39.105 39.000 0.033 0.000 1.045 119 F HN -0.103 nan 8.300 nan 0.000 0.516 120 L N 0.605 121.958 121.223 0.217 0.000 2.044 120 L HA -0.235 4.104 4.340 -0.000 0.000 0.205 120 L C 2.226 179.161 176.870 0.107 0.000 1.075 120 L CA 1.843 56.780 54.840 0.162 0.000 0.747 120 L CB -1.341 40.757 42.059 0.066 0.000 0.903 120 L HN 0.271 nan 8.230 nan 0.000 0.435 121 N N -0.154 118.582 118.700 0.060 0.000 2.270 121 N HA -0.245 4.495 4.740 -0.000 0.000 0.181 121 N C 1.797 177.337 175.510 0.051 0.000 1.016 121 N CA 1.095 54.181 53.050 0.060 0.000 0.870 121 N CB 0.077 38.584 38.487 0.033 0.000 0.979 121 N HN 0.498 nan 8.380 nan 0.000 0.431 122 Q N 0.040 119.830 119.800 -0.015 0.000 2.170 122 Q HA -0.021 4.319 4.340 -0.000 0.000 0.203 122 Q C 1.342 177.273 176.000 -0.115 0.000 0.976 122 Q CA 1.293 57.045 55.803 -0.084 0.000 0.858 122 Q CB 0.135 28.776 28.738 -0.163 0.000 0.907 122 Q HN 0.261 nan 8.270 nan 0.000 0.433 123 S N -0.694 114.940 115.700 -0.110 0.000 2.486 123 S HA 0.079 4.549 4.470 -0.000 0.000 0.220 123 S C 0.687 175.296 174.600 0.015 0.000 1.011 123 S CA 0.081 58.230 58.200 -0.085 0.000 0.921 123 S CB 0.151 63.255 63.200 -0.160 0.000 0.785 123 S HN 0.325 nan 8.310 nan 0.000 0.517 124 F N 0.295 120.222 119.950 -0.037 0.000 2.695 124 F HA 0.498 5.025 4.527 -0.000 0.000 0.303 124 F C 1.222 177.016 175.800 -0.010 0.000 1.091 124 F CA -0.101 57.885 58.000 -0.024 0.000 1.300 124 F CB 0.139 39.125 39.000 -0.023 0.000 1.071 124 F HN 0.138 nan 8.300 nan 0.000 0.578 125 I N -2.227 118.408 120.570 0.108 0.000 4.079 125 I HA -0.058 4.112 4.170 -0.000 0.000 0.276 125 I C 2.135 178.267 176.117 0.025 0.000 1.146 125 I CA 0.189 61.527 61.300 0.063 0.000 1.324 125 I CB -0.031 38.007 38.000 0.064 0.000 1.638 125 I HN -0.172 nan 8.210 nan 0.000 0.436 126 Q N 1.678 121.485 119.800 0.011 0.000 2.020 126 Q HA -0.085 4.255 4.340 -0.000 0.000 0.198 126 Q C 1.305 177.295 176.000 -0.016 0.000 0.974 126 Q CA 1.650 57.449 55.803 -0.006 0.000 0.829 126 Q CB 0.200 28.928 28.738 -0.017 0.000 0.894 126 Q HN 0.498 nan 8.270 nan 0.000 0.433 127 Q N 0.295 120.074 119.800 -0.034 0.000 2.212 127 Q HA 0.047 4.387 4.340 -0.000 0.000 0.213 127 Q C 0.277 176.270 176.000 -0.011 0.000 0.874 127 Q CA -0.140 55.641 55.803 -0.036 0.000 0.965 127 Q CB 0.447 29.140 28.738 -0.076 0.000 1.074 127 Q HN -0.060 nan 8.270 nan 0.000 0.473 128 K N 0.273 120.672 120.400 -0.002 0.000 2.630 128 K HA 0.080 4.400 4.320 -0.000 0.000 0.204 128 K C 0.531 177.170 176.600 0.064 0.000 1.024 128 K CA 0.131 56.436 56.287 0.030 0.000 1.157 128 K CB -0.004 32.496 32.500 -0.001 0.000 0.899 128 K HN 0.240 nan 8.250 nan 0.000 0.501 129 A N -1.246 121.595 122.820 0.034 0.000 2.680 129 A HA 0.168 4.488 4.320 -0.000 0.000 0.183 129 A C 0.980 178.566 177.584 0.002 0.000 1.506 129 A CA -0.261 51.785 52.037 0.015 0.000 1.119 129 A CB 0.061 19.062 19.000 0.003 0.000 1.424 129 A HN 0.317 nan 8.150 nan 0.000 0.540 130 N N -0.023 118.680 118.700 0.005 0.000 2.409 130 N HA 0.192 4.932 4.740 -0.000 0.000 0.174 130 N C 1.291 176.807 175.510 0.010 0.000 1.037 130 N CA 0.541 53.592 53.050 0.001 0.000 0.898 130 N CB 0.020 38.503 38.487 -0.008 0.000 1.010 130 N HN 0.405 nan 8.380 nan 0.000 0.445 131 L N 0.258 121.497 121.223 0.026 0.000 2.395 131 L HA 0.077 4.417 4.340 -0.000 0.000 0.218 131 L C 0.463 177.358 176.870 0.041 0.000 1.130 131 L CA 0.601 55.471 54.840 0.049 0.000 0.826 131 L CB -0.041 42.076 42.059 0.097 0.000 0.941 131 L HN 0.177 nan 8.230 nan 0.000 0.451 132 L N 0.226 121.451 121.223 0.004 0.000 3.036 132 L HA 0.175 4.515 4.340 -0.000 0.000 0.237 132 L C 0.882 177.716 176.870 -0.060 0.000 1.319 132 L CA -0.438 54.364 54.840 -0.062 0.000 1.112 132 L CB -0.281 41.695 42.059 -0.138 0.000 1.480 132 L HN 0.155 nan 8.230 nan 0.000 0.506 133 S N -2.203 113.495 115.700 -0.002 0.000 2.614 133 S HA 0.179 4.649 4.470 -0.000 0.000 0.265 133 S C 1.112 175.728 174.600 0.027 0.000 1.303 133 S CA -0.610 57.591 58.200 0.001 0.000 1.000 133 S CB 1.659 64.867 63.200 0.013 0.000 0.935 133 S HN 0.186 nan 8.310 nan 0.000 0.551 134 S N 0.913 116.623 115.700 0.016 0.000 2.603 134 S HA 0.063 4.533 4.470 -0.000 0.000 0.229 134 S C 1.226 175.863 174.600 0.061 0.000 0.972 134 S CA 0.332 58.557 58.200 0.043 0.000 0.935 134 S CB -0.431 62.778 63.200 0.015 0.000 0.769 134 S HN 0.693 nan 8.310 nan 0.000 0.536 135 S N 0.747 116.478 115.700 0.052 0.000 2.524 135 S HA 0.162 4.632 4.470 -0.000 0.000 0.222 135 S C 1.537 176.163 174.600 0.044 0.000 1.040 135 S CA -0.242 57.982 58.200 0.040 0.000 0.915 135 S CB 0.006 63.221 63.200 0.025 0.000 0.831 135 S HN 0.468 nan 8.310 nan 0.000 0.492 136 N N 1.337 120.074 118.700 0.063 0.000 2.258 136 N HA 0.125 4.864 4.740 -0.000 0.000 0.183 136 N C 1.339 176.896 175.510 0.078 0.000 1.029 136 N CA 0.833 53.920 53.050 0.061 0.000 0.857 136 N CB -0.357 38.168 38.487 0.064 0.000 1.008 136 N HN 0.239 nan 8.380 nan 0.000 0.433 137 F N 1.817 121.735 119.950 -0.052 0.000 2.161 137 F HA -0.080 4.447 4.527 -0.000 0.000 0.300 137 F C 2.018 177.781 175.800 -0.061 0.000 1.089 137 F CA 1.366 59.320 58.000 -0.076 0.000 1.282 137 F CB 0.014 38.956 39.000 -0.098 0.000 1.010 137 F HN 0.072 nan 8.300 nan 0.000 0.485 138 E N 0.134 120.342 120.200 0.013 0.000 2.152 138 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 138 E C 2.334 178.869 176.600 -0.108 0.000 0.983 138 E CA 1.008 57.364 56.400 -0.074 0.000 0.818 138 E CB -0.646 29.064 29.700 0.015 0.000 0.758 138 E HN 0.474 nan 8.360 nan 0.000 0.467 139 A N 0.471 123.250 122.820 -0.068 0.000 2.016 139 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 139 A C 2.312 179.845 177.584 -0.086 0.000 1.162 139 A CA 1.320 53.322 52.037 -0.058 0.000 0.662 139 A CB -0.329 18.657 19.000 -0.023 0.000 0.812 139 A HN 0.150 nan 8.150 nan 0.000 0.450 140 T N -0.596 113.882 114.554 -0.126 0.000 2.809 140 T HA -0.048 4.302 4.350 -0.000 0.000 0.260 140 T C 2.012 176.581 174.700 -0.219 0.000 1.039 140 T CA 1.309 63.324 62.100 -0.142 0.000 1.141 140 T CB -0.111 68.680 68.868 -0.129 0.000 0.869 140 T HN 0.502 nan 8.240 nan 0.000 0.437 141 K N 1.312 121.488 120.400 -0.374 0.000 2.103 141 K HA -0.143 4.177 4.320 -0.000 0.000 0.207 141 K C 2.255 178.725 176.600 -0.217 0.000 1.048 141 K CA 1.377 57.427 56.287 -0.395 0.000 0.930 141 K CB -0.113 32.050 32.500 -0.563 0.000 0.716 141 K HN 0.184 nan 8.250 nan 0.000 0.444 142 K N -0.091 120.210 120.400 -0.165 0.000 2.283 142 K HA -0.033 4.287 4.320 -0.000 0.000 0.202 142 K C 1.765 178.317 176.600 -0.080 0.000 1.048 142 K CA 1.112 57.338 56.287 -0.102 0.000 0.948 142 K CB 0.139 32.593 32.500 -0.076 0.000 0.742 142 K HN 0.015 nan 8.250 nan 0.000 0.458 143 S N -0.051 115.598 115.700 -0.085 0.000 2.404 143 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 143 S C 1.798 176.362 174.600 -0.059 0.000 1.040 143 S CA 0.929 59.094 58.200 -0.058 0.000 0.957 143 S CB 0.211 63.384 63.200 -0.045 0.000 0.826 143 S HN 0.370 nan 8.310 nan 0.000 0.491 144 V N -0.169 119.695 119.914 -0.083 0.000 2.667 144 V HA 0.019 4.139 4.120 -0.000 0.000 0.252 144 V C 1.907 177.959 176.094 -0.071 0.000 1.065 144 V CA 1.129 63.381 62.300 -0.079 0.000 1.083 144 V CB -0.738 31.025 31.823 -0.101 0.000 0.692 144 V HN 0.248 nan 8.190 nan 0.000 0.468 145 L N 0.400 121.578 121.223 -0.075 0.000 2.109 145 L HA 0.050 4.389 4.340 -0.000 0.000 0.207 145 L C 2.606 179.455 176.870 -0.034 0.000 1.086 145 L CA 2.072 56.878 54.840 -0.057 0.000 0.760 145 L CB -0.907 41.114 42.059 -0.064 0.000 0.910 145 L HN 0.397 nan 8.230 nan 0.000 0.437 146 K N -1.164 119.216 120.400 -0.033 0.000 2.296 146 K HA -0.146 4.174 4.320 -0.000 0.000 0.200 146 K C 2.031 178.626 176.600 -0.009 0.000 1.048 146 K CA 0.692 56.967 56.287 -0.019 0.000 0.966 146 K CB 0.238 32.726 32.500 -0.020 0.000 0.754 146 K HN 0.350 nan 8.250 nan 0.000 0.466 147 Q N 0.169 119.959 119.800 -0.017 0.000 1.969 147 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 147 Q C 1.909 177.917 176.000 0.012 0.000 0.978 147 Q CA 1.428 57.224 55.803 -0.011 0.000 0.830 147 Q CB 0.154 28.871 28.738 -0.035 0.000 0.896 147 Q HN 0.117 nan 8.270 nan 0.000 0.431 148 V N 1.342 121.252 119.914 -0.007 0.000 2.490 148 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 148 V C 2.383 178.535 176.094 0.096 0.000 1.061 148 V CA 2.170 64.486 62.300 0.027 0.000 1.064 148 V CB -0.677 31.134 31.823 -0.020 0.000 0.670 148 V HN 0.494 nan 8.190 nan 0.000 0.461 149 Q N -0.333 119.494 119.800 0.045 0.000 2.046 149 Q HA -0.259 4.081 4.340 -0.000 0.000 0.200 149 Q C 2.170 178.192 176.000 0.038 0.000 0.975 149 Q CA 1.959 57.783 55.803 0.036 0.000 0.836 149 Q CB -0.246 28.499 28.738 0.010 0.000 0.896 149 Q HN 0.639 nan 8.270 nan 0.000 0.428 150 D N -0.565 119.858 120.400 0.038 0.000 2.149 150 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 150 D C 1.683 178.001 176.300 0.029 0.000 0.990 150 D CA 0.937 54.950 54.000 0.021 0.000 0.839 150 D CB -0.056 40.758 40.800 0.022 0.000 0.948 150 D HN 0.248 nan 8.370 nan 0.000 0.460 151 F N 1.981 121.883 119.950 -0.080 0.000 2.075 151 F HA -0.166 4.361 4.527 -0.000 0.000 0.297 151 F C 2.291 178.026 175.800 -0.109 0.000 1.113 151 F CA 1.397 59.339 58.000 -0.098 0.000 1.218 151 F CB -0.243 38.710 39.000 -0.078 0.000 0.984 151 F HN -0.194 nan 8.300 nan 0.000 0.472 152 E N 0.165 120.314 120.200 -0.085 0.000 2.268 152 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 152 E C 1.506 178.012 176.600 -0.157 0.000 0.995 152 E CA 1.438 57.744 56.400 -0.157 0.000 0.836 152 E CB -0.316 29.392 29.700 0.014 0.000 0.763 152 E HN 0.490 nan 8.360 nan 0.000 0.491 153 D N -1.177 119.145 120.400 -0.130 0.000 2.305 153 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 153 D C 0.973 177.147 176.300 -0.210 0.000 0.974 153 D CA 0.607 54.546 54.000 -0.102 0.000 0.871 153 D CB 0.344 41.112 40.800 -0.053 0.000 0.947 153 D HN 0.106 nan 8.370 nan 0.000 0.516 154 N N -0.890 117.571 118.700 -0.399 0.000 2.249 154 N HA -0.057 4.683 4.740 -0.000 0.000 0.239 154 N C -0.268 174.684 175.510 -0.929 0.000 1.185 154 N CA 0.022 52.695 53.050 -0.629 0.000 0.825 154 N CB 0.564 38.875 38.487 -0.293 0.000 1.372 154 N HN -0.053 nan 8.380 nan 0.000 0.472 155 D N 1.535 121.522 120.400 -0.688 0.000 2.551 155 D HA 0.070 4.710 4.640 -0.000 0.000 0.223 155 D C 0.891 176.748 176.300 -0.739 0.000 1.144 155 D CA -0.047 53.593 54.000 -0.601 0.000 1.025 155 D CB -0.191 40.395 40.800 -0.357 0.000 1.085 155 D HN 0.276 nan 8.370 nan 0.000 0.506 156 H N 1.505 120.197 119.070 -0.629 0.000 2.321 156 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 156 H C -0.700 174.239 175.328 -0.648 0.000 1.087 156 H CA 1.422 56.969 56.048 -0.835 0.000 1.319 156 H CB -0.683 28.129 29.762 -1.584 0.000 1.379 156 H HN 0.397 nan 8.280 nan 0.000 0.501 157 P HA -0.152 nan 4.420 nan 0.000 0.215 157 P C 0.757 178.048 177.300 -0.015 0.000 1.153 157 P CA 1.471 64.523 63.100 -0.080 0.000 0.853 157 P CB 0.179 31.936 31.700 0.095 0.000 0.788 158 N N -0.356 118.316 118.700 -0.046 0.000 2.300 158 N HA -0.094 4.646 4.740 -0.000 0.000 0.179 158 N C 2.068 177.622 175.510 0.072 0.000 1.016 158 N CA 0.577 53.682 53.050 0.091 0.000 0.876 158 N CB -0.429 38.224 38.487 0.278 0.000 0.979 158 N HN 0.174 nan 8.380 nan 0.000 0.432 159 R N 1.201 121.545 120.500 -0.259 0.000 2.091 159 R HA -0.063 4.277 4.340 -0.000 0.000 0.238 159 R C 1.889 178.258 176.300 0.117 0.000 1.136 159 R CA 1.077 57.029 56.100 -0.247 0.000 0.959 159 R CB -0.106 29.939 30.300 -0.425 0.000 0.856 159 R HN -0.050 nan 8.270 nan 0.000 0.437 160 V N 1.081 121.036 119.914 0.068 0.000 2.379 160 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 160 V C 2.214 178.409 176.094 0.168 0.000 1.044 160 V CA 1.354 63.736 62.300 0.137 0.000 1.036 160 V CB -0.393 31.492 31.823 0.103 0.000 0.664 160 V HN 0.324 nan 8.190 nan 0.000 0.453 161 L N 0.240 121.547 121.223 0.140 0.000 2.083 161 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 161 L C 2.327 179.340 176.870 0.240 0.000 1.083 161 L CA 2.050 56.973 54.840 0.138 0.000 0.752 161 L CB -0.585 41.530 42.059 0.094 0.000 0.899 161 L HN 0.351 nan 8.230 nan 0.000 0.433 162 E N -1.071 119.271 120.200 0.237 0.000 2.072 162 E HA -0.237 4.113 4.350 -0.000 0.000 0.191 162 E C 2.121 178.809 176.600 0.146 0.000 0.985 162 E CA 1.582 58.110 56.400 0.213 0.000 0.801 162 E CB -0.167 29.626 29.700 0.154 0.000 0.750 162 E HN 0.665 nan 8.360 nan 0.000 0.452 163 H N -0.510 118.640 119.070 0.134 0.000 2.457 163 H HA 0.014 4.570 4.556 -0.000 0.000 0.294 163 H C 1.961 177.341 175.328 0.086 0.000 1.064 163 H CA 1.173 57.276 56.048 0.092 0.000 1.330 163 H CB 0.062 29.856 29.762 0.053 0.000 1.395 163 H HN 0.139 nan 8.280 nan 0.000 0.541 164 L N -0.055 121.283 121.223 0.193 0.000 2.017 164 L HA -0.261 4.079 4.340 -0.000 0.000 0.208 164 L C 1.762 178.663 176.870 0.051 0.000 1.073 164 L CA 1.739 56.632 54.840 0.089 0.000 0.745 164 L CB -0.206 41.874 42.059 0.036 0.000 0.894 164 L HN 0.451 nan 8.230 nan 0.000 0.432 165 H N -1.861 117.306 119.070 0.161 0.000 2.389 165 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 165 H C 2.549 177.992 175.328 0.192 0.000 1.081 165 H CA 1.550 57.745 56.048 0.245 0.000 1.345 165 H CB 0.006 29.895 29.762 0.212 0.000 1.393 165 H HN 0.281 nan 8.280 nan 0.000 0.520 166 S N -0.820 115.016 115.700 0.226 0.000 2.359 166 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 166 S C 2.344 176.996 174.600 0.087 0.000 1.035 166 S CA 1.976 60.253 58.200 0.128 0.000 1.018 166 S CB -0.447 62.801 63.200 0.081 0.000 0.876 166 S HN 0.544 nan 8.310 nan 0.000 0.448 167 T N 0.115 114.701 114.554 0.053 0.000 3.009 167 T HA 0.316 4.666 4.350 -0.000 0.000 0.258 167 T C 1.828 176.435 174.700 -0.154 0.000 1.063 167 T CA 1.141 63.225 62.100 -0.028 0.000 1.139 167 T CB -0.537 68.319 68.868 -0.020 0.000 0.890 167 T HN 0.417 nan 8.240 nan 0.000 0.471 168 A N 0.179 122.860 122.820 -0.232 0.000 1.933 168 A HA 0.131 4.451 4.320 -0.000 0.000 0.218 168 A C 1.446 178.601 177.584 -0.716 0.000 1.175 168 A CA 1.206 52.869 52.037 -0.624 0.000 0.628 168 A CB -0.667 17.974 19.000 -0.597 0.000 0.814 168 A HN 0.637 nan 8.150 nan 0.000 0.444 169 F N 0.360 120.282 119.950 -0.047 0.000 2.698 169 F HA 0.161 4.688 4.527 0.000 0.000 0.304 169 F C 0.782 176.572 175.800 -0.017 0.000 1.108 169 F CA -0.526 57.474 58.000 -0.000 0.000 1.263 169 F CB 0.060 39.101 39.000 0.069 0.000 1.013 169 F HN 0.328 nan 8.300 nan 0.000 0.532 170 Q N 1.010 120.857 119.800 0.078 0.000 2.394 170 Q HA -0.192 4.148 4.340 -0.000 0.000 0.347 170 Q C 0.095 176.124 176.000 0.049 0.000 1.144 170 Q CA 0.820 56.649 55.803 0.044 0.000 1.050 170 Q CB -0.188 28.546 28.738 -0.008 0.000 1.188 170 Q HN 0.593 nan 8.270 nan 0.000 0.406 171 N N 0.632 119.352 118.700 0.033 0.000 2.735 171 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 171 N C -1.222 174.315 175.510 0.044 0.000 1.083 171 N CA 0.824 53.891 53.050 0.028 0.000 0.703 171 N CB -0.737 37.765 38.487 0.024 0.000 1.005 171 N HN 0.754 nan 8.380 nan 0.000 0.550 172 T N -1.734 112.852 114.554 0.053 0.000 2.942 172 T HA 0.233 4.583 4.350 -0.000 0.000 0.327 172 T C -1.939 172.771 174.700 0.016 0.000 1.360 172 T CA -0.992 61.142 62.100 0.055 0.000 1.055 172 T CB 2.293 71.229 68.868 0.113 0.000 1.261 172 T HN -0.342 nan 8.240 nan 0.000 0.485 173 P HA -0.186 nan 4.420 nan 0.000 0.224 173 P C 1.538 178.750 177.300 -0.147 0.000 1.153 173 P CA 1.132 64.186 63.100 -0.077 0.000 0.947 173 P CB 0.085 31.737 31.700 -0.079 0.000 0.790 174 L N -0.745 120.325 121.223 -0.255 0.000 2.450 174 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 174 L C 2.179 178.983 176.870 -0.110 0.000 1.149 174 L CA 2.190 56.795 54.840 -0.391 0.000 0.816 174 L CB -2.135 39.337 42.059 -0.978 0.000 0.932 174 L HN 0.160 nan 8.230 nan 0.000 0.449 175 S N -1.582 114.133 115.700 0.026 0.000 2.489 175 S HA -0.017 4.453 4.470 -0.000 0.000 0.228 175 S C 0.968 175.564 174.600 -0.007 0.000 0.995 175 S CA -0.129 58.126 58.200 0.092 0.000 0.934 175 S CB -0.171 63.088 63.200 0.099 0.000 0.771 175 S HN 0.126 nan 8.310 nan 0.000 0.522 176 L N 4.245 125.425 121.223 -0.073 0.000 2.433 176 L HA 0.378 4.718 4.340 -0.000 0.000 0.275 176 L C -2.195 174.594 176.870 -0.135 0.000 1.128 176 L CA -1.955 52.822 54.840 -0.105 0.000 0.875 176 L CB -0.349 41.641 42.059 -0.117 0.000 1.171 176 L HN 0.167 nan 8.230 nan 0.000 0.463 177 P HA 0.057 nan 4.420 nan 0.000 0.268 177 P C 0.911 178.110 177.300 -0.169 0.000 1.204 177 P CA -0.151 62.864 63.100 -0.141 0.000 0.768 177 P CB 0.567 32.195 31.700 -0.120 0.000 0.842 178 T N 2.295 116.730 114.554 -0.198 0.000 2.720 178 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 178 T C 1.490 176.070 174.700 -0.199 0.000 1.037 178 T CA 1.211 63.187 62.100 -0.206 0.000 1.144 178 T CB -0.539 68.195 68.868 -0.224 0.000 0.864 178 T HN 0.292 nan 8.240 nan 0.000 0.444 179 R N 1.629 121.988 120.500 -0.235 0.000 2.307 179 R HA 0.462 4.802 4.340 -0.000 0.000 0.199 179 R C 1.479 177.681 176.300 -0.163 0.000 1.000 179 R CA 0.527 56.490 56.100 -0.228 0.000 1.023 179 R CB -0.782 29.311 30.300 -0.345 0.000 0.908 179 R HN 0.736 nan 8.270 nan 0.000 0.473 180 G N 0.130 108.841 108.800 -0.147 0.000 2.787 180 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.685 180 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.685 180 G C -0.188 174.659 174.900 -0.089 0.000 1.437 180 G CA -0.369 44.660 45.100 -0.120 0.000 0.872 180 G HN 0.283 nan 8.290 nan 0.000 0.566 181 T N -0.601 113.907 114.554 -0.077 0.000 2.882 181 T HA 0.589 4.939 4.350 -0.000 0.000 0.287 181 T C 1.937 176.615 174.700 -0.037 0.000 0.992 181 T CA -0.136 61.934 62.100 -0.050 0.000 1.076 181 T CB 1.402 70.238 68.868 -0.053 0.000 0.961 181 T HN 0.864 nan 8.240 nan 0.000 0.490 182 L N 1.111 122.324 121.223 -0.018 0.000 2.189 182 L HA -0.139 4.201 4.340 -0.000 0.000 0.214 182 L C 2.623 179.485 176.870 -0.013 0.000 1.097 182 L CA 1.576 56.407 54.840 -0.015 0.000 0.764 182 L CB -0.411 41.647 42.059 -0.002 0.000 0.900 182 L HN 0.797 nan 8.230 nan 0.000 0.436 183 E N -0.793 119.404 120.200 -0.006 0.000 2.122 183 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 183 E C 2.212 178.821 176.600 0.015 0.000 0.977 183 E CA 1.212 57.617 56.400 0.008 0.000 0.820 183 E CB 0.054 29.765 29.700 0.019 0.000 0.770 183 E HN 0.443 nan 8.360 nan 0.000 0.462 184 S N -0.072 115.627 115.700 -0.002 0.000 2.496 184 S HA -0.008 4.462 4.470 -0.000 0.000 0.224 184 S C 1.753 176.348 174.600 -0.009 0.000 0.996 184 S CA 0.250 58.454 58.200 0.007 0.000 0.927 184 S CB 0.016 63.197 63.200 -0.031 0.000 0.774 184 S HN 0.011 nan 8.310 nan 0.000 0.524 185 L N 2.807 124.013 121.223 -0.029 0.000 2.049 185 L HA 0.096 4.436 4.340 -0.000 0.000 0.203 185 L C 2.729 179.574 176.870 -0.041 0.000 1.074 185 L CA 1.986 56.797 54.840 -0.048 0.000 0.749 185 L CB -0.858 41.162 42.059 -0.065 0.000 0.907 185 L HN 0.569 nan 8.230 nan 0.000 0.439 186 E N -1.196 118.986 120.200 -0.030 0.000 2.472 186 E HA -0.221 4.129 4.350 -0.000 0.000 0.200 186 E C 1.287 177.886 176.600 -0.002 0.000 1.046 186 E CA 1.055 57.439 56.400 -0.026 0.000 0.871 186 E CB -0.510 29.178 29.700 -0.020 0.000 0.806 186 E HN 0.535 nan 8.360 nan 0.000 0.533 187 N N 0.430 119.138 118.700 0.012 0.000 2.204 187 N HA 0.046 4.786 4.740 -0.000 0.000 0.219 187 N C -0.632 174.902 175.510 0.041 0.000 1.151 187 N CA -0.309 52.758 53.050 0.028 0.000 0.867 187 N CB 0.408 38.917 38.487 0.036 0.000 1.043 187 N HN 0.071 nan 8.380 nan 0.000 0.516 188 L N 2.089 123.340 121.223 0.047 0.000 2.292 188 L HA 0.326 4.666 4.340 -0.000 0.000 0.284 188 L C -0.024 176.950 176.870 0.174 0.000 1.065 188 L CA -0.442 54.444 54.840 0.077 0.000 0.806 188 L CB 1.418 43.508 42.059 0.052 0.000 1.175 188 L HN -0.062 nan 8.230 nan 0.000 0.431 189 V N 2.624 122.599 119.914 0.102 0.000 3.019 189 V HA 0.466 4.586 4.120 -0.000 0.000 0.317 189 V C 0.982 176.925 176.094 -0.251 0.000 1.094 189 V CA -0.735 61.575 62.300 0.017 0.000 1.000 189 V CB 1.463 33.263 31.823 -0.038 0.000 1.060 189 V HN 0.497 nan 8.190 nan 0.000 0.443 190 V N 1.522 121.030 119.914 -0.677 0.000 2.380 190 V HA -0.260 3.860 4.120 -0.000 0.000 0.251 190 V C 2.931 178.801 176.094 -0.373 0.000 1.063 190 V CA 2.916 64.729 62.300 -0.812 0.000 1.055 190 V CB -1.497 29.873 31.823 -0.754 0.000 0.657 190 V HN 1.171 nan 8.190 nan 0.000 0.455 191 A N -0.406 122.277 122.820 -0.229 0.000 1.972 191 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 191 A C 2.041 179.582 177.584 -0.071 0.000 1.169 191 A CA 1.903 53.867 52.037 -0.121 0.000 0.635 191 A CB -0.495 18.455 19.000 -0.084 0.000 0.810 191 A HN 0.575 nan 8.150 nan 0.000 0.446 192 D N -0.010 120.348 120.400 -0.070 0.000 2.117 192 D HA -0.100 4.540 4.640 -0.000 0.000 0.198 192 D C 1.986 178.303 176.300 0.028 0.000 0.982 192 D CA 0.740 54.736 54.000 -0.007 0.000 0.828 192 D CB -0.185 40.612 40.800 -0.004 0.000 0.967 192 D HN 0.268 nan 8.370 nan 0.000 0.464 193 L N 1.363 122.541 121.223 -0.074 0.000 1.989 193 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 193 L C 2.332 179.350 176.870 0.245 0.000 1.071 193 L CA 1.646 56.442 54.840 -0.073 0.000 0.749 193 L CB -1.026 40.712 42.059 -0.534 0.000 0.890 193 L HN 0.113 nan 8.230 nan 0.000 0.431 194 E N -0.397 119.864 120.200 0.101 0.000 2.058 194 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 194 E C 2.239 178.880 176.600 0.069 0.000 0.997 194 E CA 1.570 58.037 56.400 0.112 0.000 0.801 194 E CB -0.059 29.652 29.700 0.017 0.000 0.746 194 E HN 0.389 nan 8.360 nan 0.000 0.450 195 S N 0.686 116.422 115.700 0.060 0.000 2.359 195 S HA -0.192 4.278 4.470 -0.000 0.000 0.224 195 S C 1.671 176.310 174.600 0.065 0.000 1.035 195 S CA 1.200 59.427 58.200 0.046 0.000 1.018 195 S CB -0.384 62.851 63.200 0.058 0.000 0.876 195 S HN 0.282 nan 8.310 nan 0.000 0.448 196 F N 2.201 122.149 119.950 -0.003 0.000 2.084 196 F HA -0.064 4.463 4.527 -0.000 0.000 0.296 196 F C 2.427 178.108 175.800 -0.199 0.000 1.111 196 F CA 1.068 59.079 58.000 0.017 0.000 1.224 196 F CB -0.593 38.459 39.000 0.087 0.000 0.991 196 F HN 0.182 nan 8.300 nan 0.000 0.471 197 A N 0.487 123.165 122.820 -0.236 0.000 1.908 197 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 197 A C 1.867 179.171 177.584 -0.466 0.000 1.181 197 A CA 2.049 53.609 52.037 -0.795 0.000 0.627 197 A CB -0.981 17.725 19.000 -0.491 0.000 0.818 197 A HN 0.528 nan 8.150 nan 0.000 0.445 198 N N -0.178 118.374 118.700 -0.245 0.000 2.550 198 N HA -0.056 4.684 4.740 -0.000 0.000 0.186 198 N C 0.738 176.102 175.510 -0.243 0.000 1.110 198 N CA 1.116 54.059 53.050 -0.179 0.000 0.912 198 N CB -0.327 38.099 38.487 -0.102 0.000 0.968 198 N HN 0.657 nan 8.380 nan 0.000 0.448 199 N N -1.298 117.160 118.700 -0.403 0.000 2.332 199 N HA 0.104 4.844 4.740 -0.000 0.000 0.190 199 N C 0.850 175.851 175.510 -0.848 0.000 1.117 199 N CA 0.240 52.940 53.050 -0.583 0.000 0.883 199 N CB 0.443 38.531 38.487 -0.664 0.000 1.089 199 N HN 0.255 nan 8.380 nan 0.000 0.480 200 H N -1.443 117.344 119.070 -0.471 0.000 3.091 200 H HA 0.228 4.784 4.556 -0.000 0.000 0.249 200 H C 0.092 175.297 175.328 -0.205 0.000 0.985 200 H CA -0.036 55.775 56.048 -0.395 0.000 1.177 200 H CB 0.250 29.583 29.762 -0.715 0.000 1.456 200 H HN 0.146 nan 8.280 nan 0.000 0.467 201 F N 2.603 122.226 119.950 -0.546 0.000 2.818 201 F HA 0.135 4.662 4.527 -0.000 0.000 0.303 201 F C 0.560 176.211 175.800 -0.249 0.000 1.250 201 F CA -0.318 57.212 58.000 -0.783 0.000 1.409 201 F CB -0.191 38.357 39.000 -0.753 0.000 1.183 201 F HN -0.142 nan 8.300 nan 0.000 0.534 202 L N -0.537 120.721 121.223 0.059 0.000 2.567 202 L HA 0.171 4.511 4.340 -0.000 0.000 0.238 202 L C 1.370 178.345 176.870 0.175 0.000 1.168 202 L CA -0.294 54.598 54.840 0.086 0.000 0.817 202 L CB 0.331 42.403 42.059 0.022 0.000 1.409 202 L HN 0.026 nan 8.230 nan 0.000 0.502 203 N N -0.430 118.336 118.700 0.110 0.000 2.278 203 N HA -0.145 4.595 4.740 -0.000 0.000 0.181 203 N C 1.690 177.247 175.510 0.079 0.000 1.023 203 N CA 1.228 54.335 53.050 0.095 0.000 0.862 203 N CB 0.081 38.601 38.487 0.054 0.000 1.003 203 N HN 0.626 nan 8.380 nan 0.000 0.431 204 S N -1.224 114.512 115.700 0.061 0.000 2.537 204 S HA -0.074 4.396 4.470 -0.000 0.000 0.240 204 S C 1.002 175.644 174.600 0.071 0.000 0.981 204 S CA 0.794 59.024 58.200 0.050 0.000 0.948 204 S CB -0.446 62.775 63.200 0.035 0.000 0.759 204 S HN 0.422 nan 8.310 nan 0.000 0.531 205 N N 0.881 119.650 118.700 0.116 0.000 2.480 205 N HA 0.546 5.286 4.740 -0.000 0.000 0.281 205 N C -0.607 175.049 175.510 0.243 0.000 1.381 205 N CA 0.071 53.218 53.050 0.161 0.000 0.903 205 N CB 0.836 39.428 38.487 0.174 0.000 1.274 205 N HN 0.474 nan 8.380 nan 0.000 0.505 206 A N -0.688 122.215 122.820 0.138 0.000 2.566 206 A HA 0.827 5.147 4.320 -0.000 0.000 0.292 206 A C -1.486 176.042 177.584 -0.094 0.000 1.112 206 A CA -0.563 51.480 52.037 0.011 0.000 0.707 206 A CB 1.768 20.778 19.000 0.016 0.000 1.302 206 A HN 0.024 nan 8.150 nan 0.000 0.409 207 V N 0.636 120.421 119.914 -0.216 0.000 2.697 207 V HA 0.388 4.508 4.120 -0.000 0.000 0.300 207 V C -0.754 175.198 176.094 -0.236 0.000 1.115 207 V CA -0.554 61.640 62.300 -0.177 0.000 0.912 207 V CB 1.590 33.325 31.823 -0.148 0.000 1.024 207 V HN 1.153 nan 8.190 nan 0.000 0.431 208 V N 7.373 127.179 119.914 -0.180 0.000 2.432 208 V HA 0.613 4.733 4.120 -0.000 0.000 0.271 208 V C -0.281 175.736 176.094 -0.129 0.000 1.046 208 V CA 0.279 62.473 62.300 -0.177 0.000 0.945 208 V CB 1.524 33.265 31.823 -0.137 0.000 0.992 208 V HN 0.627 nan 8.190 nan 0.000 0.471 209 V N 5.836 125.666 119.914 -0.140 0.000 2.630 209 V HA 0.868 4.988 4.120 -0.000 0.000 0.305 209 V C 0.673 176.725 176.094 -0.070 0.000 1.046 209 V CA 0.034 62.270 62.300 -0.107 0.000 0.934 209 V CB 1.624 33.366 31.823 -0.135 0.000 1.003 209 V HN 1.067 nan 8.190 nan 0.000 0.451 210 G N 1.616 110.390 108.800 -0.043 0.000 2.753 210 G HA2 0.635 4.595 3.960 -0.000 0.000 0.282 210 G HA3 0.635 4.595 3.960 -0.000 0.000 0.282 210 G C -0.555 174.341 174.900 -0.007 0.000 1.512 210 G CA -0.129 44.960 45.100 -0.018 0.000 1.076 210 G HN 0.885 nan 8.290 nan 0.000 0.545 211 T N -0.746 113.802 114.554 -0.011 0.000 2.916 211 T HA 0.921 5.271 4.350 -0.000 0.000 0.292 211 T C 0.758 175.463 174.700 0.009 0.000 1.064 211 T CA 0.226 62.323 62.100 -0.005 0.000 1.011 211 T CB 2.407 71.257 68.868 -0.030 0.000 1.152 211 T HN 2.044 nan 8.240 nan 0.000 0.510 212 G N 1.909 110.720 108.800 0.018 0.000 1.676 212 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.199 212 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.199 212 G C 0.302 175.225 174.900 0.040 0.000 1.990 212 G CA 0.775 45.891 45.100 0.026 0.000 1.393 212 G HN 1.326 nan 8.290 nan 0.000 0.449 213 N N 0.384 119.112 118.700 0.045 0.000 1.983 213 N HA 0.144 4.884 4.740 -0.000 0.000 0.234 213 N C 0.940 176.486 175.510 0.060 0.000 1.339 213 N CA 0.858 53.941 53.050 0.056 0.000 0.826 213 N CB 0.139 38.648 38.487 0.035 0.000 1.156 213 N HN 1.210 nan 8.380 nan 0.000 0.468 214 I N 1.187 121.778 120.570 0.036 0.000 2.815 214 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 214 I C 0.305 176.422 176.117 -0.001 0.000 1.209 214 I CA -0.484 60.823 61.300 0.012 0.000 1.431 214 I CB 0.224 38.225 38.000 0.002 0.000 1.351 214 I HN -0.084 nan 8.210 nan 0.000 0.585 215 K N 3.054 123.417 120.400 -0.061 0.000 2.202 215 K HA 0.078 4.398 4.320 -0.000 0.000 0.264 215 K C 0.790 177.330 176.600 -0.101 0.000 1.010 215 K CA -0.407 55.779 56.287 -0.169 0.000 0.940 215 K CB 0.466 32.863 32.500 -0.172 0.000 0.983 215 K HN 0.721 nan 8.250 nan 0.000 0.475 216 H N 2.177 121.095 119.070 -0.253 0.000 2.352 216 H HA -0.117 4.438 4.556 -0.000 0.000 0.299 216 H C 0.795 176.061 175.328 -0.104 0.000 1.097 216 H CA 2.008 57.973 56.048 -0.139 0.000 1.311 216 H CB 0.359 30.046 29.762 -0.125 0.000 1.377 216 H HN 0.671 nan 8.280 nan 0.000 0.504 217 E N -0.870 119.197 120.200 -0.222 0.000 2.358 217 E HA -0.087 4.263 4.350 -0.000 0.000 0.195 217 E C 1.409 177.911 176.600 -0.164 0.000 1.010 217 E CA 0.828 57.083 56.400 -0.241 0.000 0.856 217 E CB 0.134 29.743 29.700 -0.152 0.000 0.795 217 E HN 0.647 nan 8.360 nan 0.000 0.504 218 D N 0.407 120.732 120.400 -0.124 0.000 2.120 218 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 218 D C 1.853 178.106 176.300 -0.079 0.000 0.972 218 D CA 0.464 54.413 54.000 -0.085 0.000 0.837 218 D CB 0.199 40.961 40.800 -0.064 0.000 0.989 218 D HN 0.034 nan 8.370 nan 0.000 0.469 219 L N 0.082 121.257 121.223 -0.079 0.000 2.044 219 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 219 L C 2.255 179.073 176.870 -0.086 0.000 1.075 219 L CA 1.090 55.893 54.840 -0.061 0.000 0.747 219 L CB -0.754 41.288 42.059 -0.030 0.000 0.903 219 L HN 0.080 nan 8.230 nan 0.000 0.435 220 V N 0.458 120.282 119.914 -0.150 0.000 2.546 220 V HA -0.320 3.800 4.120 -0.000 0.000 0.254 220 V C 2.264 178.286 176.094 -0.119 0.000 1.076 220 V CA 2.234 64.433 62.300 -0.169 0.000 1.087 220 V CB -0.635 30.989 31.823 -0.332 0.000 0.674 220 V HN 0.624 nan 8.190 nan 0.000 0.470 221 N N 0.084 118.719 118.700 -0.109 0.000 2.135 221 N HA -0.070 4.670 4.740 -0.000 0.000 0.186 221 N C 1.953 177.431 175.510 -0.054 0.000 1.027 221 N CA 1.738 54.742 53.050 -0.077 0.000 0.849 221 N CB -0.540 37.904 38.487 -0.072 0.000 1.002 221 N HN 0.462 nan 8.380 nan 0.000 0.425 222 S N 0.687 116.357 115.700 -0.049 0.000 2.469 222 S HA 0.063 4.533 4.470 -0.000 0.000 0.238 222 S C 1.930 176.513 174.600 -0.030 0.000 0.998 222 S CA 0.535 58.715 58.200 -0.033 0.000 0.957 222 S CB -0.029 63.155 63.200 -0.026 0.000 0.764 222 S HN 0.286 nan 8.310 nan 0.000 0.514 223 I N 0.654 121.201 120.570 -0.039 0.000 2.556 223 I HA 0.021 4.191 4.170 -0.000 0.000 0.251 223 I C 2.353 178.450 176.117 -0.032 0.000 1.105 223 I CA 0.734 62.013 61.300 -0.036 0.000 1.436 223 I CB -0.122 37.853 38.000 -0.043 0.000 1.139 223 I HN 0.199 nan 8.210 nan 0.000 0.438 224 E N 0.502 120.678 120.200 -0.039 0.000 2.516 224 E HA -0.150 4.200 4.350 -0.000 0.000 0.199 224 E C 2.016 178.600 176.600 -0.027 0.000 1.069 224 E CA 0.437 56.817 56.400 -0.034 0.000 0.876 224 E CB 0.197 29.872 29.700 -0.041 0.000 0.843 224 E HN 0.305 nan 8.360 nan 0.000 0.530 225 S N 0.398 116.083 115.700 -0.025 0.000 2.325 225 S HA -0.034 4.436 4.470 -0.000 0.000 0.214 225 S C 0.469 175.061 174.600 -0.013 0.000 1.031 225 S CA 0.485 58.673 58.200 -0.019 0.000 0.972 225 S CB 0.061 63.250 63.200 -0.018 0.000 0.908 225 S HN 0.068 nan 8.310 nan 0.000 0.453 226 K N 2.824 123.217 120.400 -0.011 0.000 2.349 226 K HA 0.192 4.511 4.320 -0.000 0.000 0.289 226 K C 0.400 176.996 176.600 -0.006 0.000 1.064 226 K CA -0.181 56.102 56.287 -0.006 0.000 0.947 226 K CB 0.450 32.948 32.500 -0.003 0.000 1.007 226 K HN 0.364 nan 8.250 nan 0.000 0.478 227 N N 1.683 120.380 118.700 -0.004 0.000 2.284 227 N HA 0.159 4.899 4.740 -0.000 0.000 0.266 227 N C -0.381 175.130 175.510 0.001 0.000 1.321 227 N CA -0.395 52.653 53.050 -0.003 0.000 0.933 227 N CB 0.141 38.626 38.487 -0.003 0.000 1.067 227 N HN 0.276 nan 8.380 nan 0.000 0.447 228 L N -0.032 121.192 121.223 0.003 0.000 2.041 228 L HA -0.202 4.138 4.340 -0.000 0.000 0.469 228 L C 0.391 177.267 176.870 0.010 0.000 1.003 228 L CA 0.387 55.231 54.840 0.007 0.000 1.241 228 L CB -0.962 41.103 42.059 0.009 0.000 1.215 228 L HN 0.480 nan 8.230 nan 0.000 0.624 229 S N 4.539 120.246 115.700 0.010 0.000 2.387 229 S HA 0.273 4.743 4.470 -0.000 0.000 0.221 229 S C 0.520 175.133 174.600 0.022 0.000 1.041 229 S CA 0.477 58.686 58.200 0.014 0.000 0.959 229 S CB -0.006 63.200 63.200 0.010 0.000 0.843 229 S HN 1.026 nan 8.310 nan 0.000 0.488 230 L N 2.299 123.534 121.223 0.020 0.000 3.052 230 L HA -0.197 4.142 4.340 -0.000 0.000 0.652 230 L C -0.769 176.116 176.870 0.024 0.000 1.019 230 L CA 0.604 55.459 54.840 0.024 0.000 1.317 230 L CB -1.713 40.369 42.059 0.038 0.000 1.728 230 L HN 0.694 nan 8.230 nan 0.000 0.839 231 Q N 1.267 121.074 119.800 0.012 0.000 2.456 231 Q HA -0.174 4.166 4.340 -0.000 0.000 0.325 231 Q C 0.316 176.320 176.000 0.007 0.000 1.453 231 Q CA 1.306 57.111 55.803 0.004 0.000 0.848 231 Q CB -0.836 27.901 28.738 -0.002 0.000 1.123 231 Q HN 0.776 nan 8.270 nan 0.000 0.374 232 T N -2.167 112.391 114.554 0.007 0.000 2.928 232 T HA 0.567 4.917 4.350 -0.000 0.000 0.284 232 T C 1.305 176.007 174.700 0.003 0.000 1.008 232 T CA 1.144 63.249 62.100 0.008 0.000 1.057 232 T CB 1.333 70.206 68.868 0.009 0.000 1.018 232 T HN 0.911 nan 8.240 nan 0.000 0.493 233 G N 2.630 111.432 108.800 0.004 0.000 2.253 233 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.251 233 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.251 233 G C 0.342 175.239 174.900 -0.004 0.000 0.998 233 G CA 0.383 45.484 45.100 0.001 0.000 0.621 233 G HN 0.976 nan 8.290 nan 0.000 0.524 234 T N 1.961 116.510 114.554 -0.009 0.000 2.884 234 T HA 0.542 4.892 4.350 -0.000 0.000 0.298 234 T C 0.221 174.908 174.700 -0.023 0.000 0.998 234 T CA 0.257 62.343 62.100 -0.023 0.000 1.124 234 T CB 1.548 70.394 68.868 -0.037 0.000 0.931 234 T HN 0.451 nan 8.240 nan 0.000 0.531 235 K N 2.949 123.331 120.400 -0.031 0.000 2.328 235 K HA 0.513 4.833 4.320 -0.000 0.000 0.246 235 K C -2.407 174.157 176.600 -0.060 0.000 0.955 235 K CA -2.072 54.200 56.287 -0.025 0.000 0.817 235 K CB 1.430 33.927 32.500 -0.006 0.000 1.208 235 K HN 0.386 nan 8.250 nan 0.000 0.432 236 P HA 0.073 nan 4.420 nan 0.000 0.274 236 P C -0.197 177.076 177.300 -0.045 0.000 1.246 236 P CA -0.480 62.546 63.100 -0.122 0.000 0.795 236 P CB 0.582 32.273 31.700 -0.015 0.000 1.006 237 V N 1.337 121.222 119.914 -0.049 0.000 3.096 237 V HA 0.016 4.136 4.120 -0.000 0.000 0.306 237 V C 1.201 177.330 176.094 0.057 0.000 1.088 237 V CA -0.128 62.178 62.300 0.012 0.000 1.129 237 V CB -0.188 31.649 31.823 0.024 0.000 1.014 237 V HN 0.388 nan 8.190 nan 0.000 0.486 238 L N 1.947 123.198 121.223 0.047 0.000 2.492 238 L HA 0.700 5.040 4.340 -0.000 0.000 0.263 238 L C 0.065 176.969 176.870 0.056 0.000 1.062 238 L CA -0.418 54.454 54.840 0.053 0.000 0.817 238 L CB 1.526 43.609 42.059 0.040 0.000 1.441 238 L HN 0.988 nan 8.230 nan 0.000 0.493 239 K N -0.437 119.994 120.400 0.051 0.000 1.928 239 K HA 0.431 4.751 4.320 -0.000 0.000 0.251 239 K C -1.166 175.460 176.600 0.045 0.000 0.713 239 K CA -0.740 55.577 56.287 0.049 0.000 0.547 239 K CB 0.724 33.255 32.500 0.051 0.000 1.755 239 K HN 0.205 nan 8.250 nan 0.000 0.536 240 K N 1.222 121.648 120.400 0.044 0.000 2.292 240 K HA 0.340 4.660 4.320 -0.000 0.000 0.257 240 K C -1.094 175.534 176.600 0.047 0.000 0.940 240 K CA -0.810 55.505 56.287 0.045 0.000 0.811 240 K CB 0.947 33.474 32.500 0.046 0.000 1.120 240 K HN 0.521 nan 8.250 nan 0.000 0.428 241 K N 1.624 122.056 120.400 0.053 0.000 2.489 241 K HA 0.108 4.428 4.320 -0.000 0.000 0.278 241 K C -0.210 176.433 176.600 0.072 0.000 1.000 241 K CA -0.128 56.195 56.287 0.060 0.000 1.012 241 K CB 0.132 32.674 32.500 0.069 0.000 0.903 241 K HN 0.525 nan 8.250 nan 0.000 0.485 242 A N 1.835 124.692 122.820 0.061 0.000 2.477 242 A HA 0.494 4.814 4.320 -0.000 0.000 0.246 242 A C -0.058 177.641 177.584 0.191 0.000 1.078 242 A CA 0.144 52.227 52.037 0.078 0.000 0.770 242 A CB -0.204 18.764 19.000 -0.054 0.000 1.011 242 A HN 0.900 nan 8.150 nan 0.000 0.494 243 A N 1.942 124.932 122.820 0.284 0.000 2.449 243 A HA 0.665 4.985 4.320 -0.000 0.000 0.302 243 A C -0.785 177.061 177.584 0.437 0.000 1.048 243 A CA -0.504 51.731 52.037 0.331 0.000 0.708 243 A CB 0.798 19.920 19.000 0.204 0.000 1.274 243 A HN 1.139 nan 8.150 nan 0.000 0.410 244 F N 1.583 121.678 119.950 0.240 0.000 2.384 244 F HA 0.659 5.186 4.527 -0.000 0.000 0.338 244 F C -0.555 175.262 175.800 0.027 0.000 1.103 244 F CA -0.506 57.528 58.000 0.057 0.000 1.157 244 F CB 1.170 40.190 39.000 0.033 0.000 1.167 244 F HN 0.472 nan 8.300 nan 0.000 0.529 245 L N 5.280 126.058 121.223 -0.741 0.000 2.482 245 L HA 0.533 4.873 4.340 -0.000 0.000 0.269 245 L C -0.331 176.177 176.870 -0.604 0.000 0.967 245 L CA -0.295 54.290 54.840 -0.425 0.000 0.851 245 L CB 1.574 43.490 42.059 -0.238 0.000 1.242 245 L HN 0.710 nan 8.230 nan 0.000 0.404 246 G N 3.239 111.914 108.800 -0.209 0.000 2.298 246 G HA2 0.440 4.400 3.960 -0.000 0.000 0.263 246 G HA3 0.440 4.400 3.960 -0.000 0.000 0.263 246 G C -0.154 174.638 174.900 -0.179 0.000 1.229 246 G CA 0.745 45.830 45.100 -0.025 0.000 0.976 246 G HN 0.986 nan 8.290 nan 0.000 0.459 247 S N 1.211 116.812 115.700 -0.164 0.000 2.683 247 S HA 0.780 5.250 4.470 -0.000 0.000 0.269 247 S C -0.957 173.604 174.600 -0.064 0.000 1.165 247 S CA -0.667 57.392 58.200 -0.235 0.000 0.840 247 S CB 1.996 65.069 63.200 -0.213 0.000 1.169 247 S HN 1.066 nan 8.310 nan 0.000 0.490 248 E N -0.990 119.167 120.200 -0.071 0.000 2.407 248 E HA 0.719 5.069 4.350 -0.000 0.000 0.279 248 E C -1.965 174.631 176.600 -0.006 0.000 1.012 248 E CA -1.214 55.198 56.400 0.021 0.000 0.800 248 E CB 2.010 31.771 29.700 0.103 0.000 1.276 248 E HN 0.940 nan 8.360 nan 0.000 0.452 249 V N 1.489 121.409 119.914 0.010 0.000 2.567 249 V HA 0.517 4.637 4.120 -0.000 0.000 0.298 249 V C -1.631 174.447 176.094 -0.027 0.000 1.047 249 V CA -0.475 61.818 62.300 -0.012 0.000 0.880 249 V CB 1.499 33.323 31.823 0.002 0.000 1.009 249 V HN 0.705 nan 8.190 nan 0.000 0.429 250 R N 6.470 126.949 120.500 -0.034 0.000 2.288 250 R HA 0.562 4.902 4.340 -0.000 0.000 0.326 250 R C -0.814 175.449 176.300 -0.063 0.000 0.959 250 R CA -0.508 55.570 56.100 -0.036 0.000 0.834 250 R CB 1.667 31.959 30.300 -0.013 0.000 1.157 250 R HN 0.669 nan 8.270 nan 0.000 0.470 251 L N 3.269 124.440 121.223 -0.087 0.000 2.783 251 L HA 0.296 4.636 4.340 -0.000 0.000 0.235 251 L C 0.675 177.510 176.870 -0.058 0.000 1.260 251 L CA -0.264 54.513 54.840 -0.104 0.000 1.184 251 L CB -0.046 41.899 42.059 -0.190 0.000 1.472 251 L HN 0.332 nan 8.230 nan 0.000 0.426 252 R N 1.585 122.063 120.500 -0.037 0.000 2.583 252 R HA 0.005 4.345 4.340 -0.000 0.000 0.274 252 R C -0.647 175.640 176.300 -0.022 0.000 0.998 252 R CA 0.724 56.811 56.100 -0.021 0.000 1.081 252 R CB 0.428 30.718 30.300 -0.017 0.000 0.940 252 R HN 0.272 nan 8.270 nan 0.000 0.413 253 D N 2.734 123.127 120.400 -0.013 0.000 2.318 253 D HA 0.076 4.716 4.640 -0.000 0.000 0.233 253 D C -0.663 175.635 176.300 -0.002 0.000 1.348 253 D CA -0.460 53.531 54.000 -0.014 0.000 0.983 253 D CB 0.854 41.636 40.800 -0.030 0.000 1.416 253 D HN 0.393 nan 8.370 nan 0.000 0.558 254 D N 1.016 121.415 120.400 -0.002 0.000 2.371 254 D HA -0.072 4.568 4.640 -0.000 0.000 0.221 254 D C 1.923 178.226 176.300 0.006 0.000 0.986 254 D CA 0.902 54.902 54.000 0.000 0.000 0.899 254 D CB 0.211 41.009 40.800 -0.003 0.000 0.902 254 D HN 0.529 nan 8.370 nan 0.000 0.530 255 T N -2.371 112.187 114.554 0.008 0.000 3.081 255 T HA 0.110 4.460 4.350 -0.000 0.000 0.255 255 T C 1.049 175.766 174.700 0.028 0.000 1.113 255 T CA -0.166 61.943 62.100 0.015 0.000 1.082 255 T CB 0.058 68.935 68.868 0.014 0.000 0.939 255 T HN -0.007 nan 8.240 nan 0.000 0.506 256 L N 2.590 123.832 121.223 0.031 0.000 2.417 256 L HA 0.313 4.653 4.340 -0.000 0.000 0.268 256 L C -1.009 175.908 176.870 0.078 0.000 1.158 256 L CA -2.069 52.816 54.840 0.074 0.000 0.819 256 L CB 0.998 43.113 42.059 0.093 0.000 1.112 256 L HN -0.015 nan 8.230 nan 0.000 0.458 257 P HA 0.051 nan 4.420 nan 0.000 0.245 257 P C -0.223 177.031 177.300 -0.077 0.000 1.206 257 P CA 0.774 63.893 63.100 0.031 0.000 0.781 257 P CB 0.600 32.337 31.700 0.062 0.000 0.994 258 K N -0.719 119.554 120.400 -0.211 0.000 2.213 258 K HA 0.759 5.079 4.320 -0.000 0.000 0.254 258 K C -1.078 175.189 176.600 -0.555 0.000 1.062 258 K CA -1.009 54.945 56.287 -0.555 0.000 0.884 258 K CB 1.950 33.773 32.500 -1.128 0.000 1.437 258 K HN -0.260 nan 8.250 nan 0.000 0.464 259 A N 0.998 123.448 122.820 -0.617 0.000 2.353 259 A HA 0.560 4.880 4.320 -0.000 0.000 0.299 259 A C -1.756 175.618 177.584 -0.350 0.000 1.089 259 A CA -0.621 51.246 52.037 -0.282 0.000 0.736 259 A CB 0.694 19.608 19.000 -0.144 0.000 1.195 259 A HN 0.536 nan 8.150 nan 0.000 0.447 260 W N 3.201 124.484 121.300 -0.027 0.000 2.411 260 W HA 0.553 5.213 4.660 -0.000 0.000 0.317 260 W C -0.648 175.852 176.519 -0.032 0.000 1.030 260 W CA -0.471 56.867 57.345 -0.012 0.000 1.239 260 W CB 1.750 31.216 29.460 0.010 0.000 1.304 260 W HN 0.724 nan 8.180 nan 0.000 0.437 261 I N 1.136 121.772 120.570 0.110 0.000 2.730 261 I HA 0.699 4.869 4.170 -0.000 0.000 0.298 261 I C -0.882 175.191 176.117 -0.074 0.000 1.089 261 I CA -0.246 61.066 61.300 0.021 0.000 1.041 261 I CB 2.381 40.366 38.000 -0.025 0.000 1.235 261 I HN 0.004 nan 8.210 nan 0.000 0.423 262 S N 6.316 121.997 115.700 -0.032 0.000 2.538 262 S HA 0.782 5.252 4.470 -0.000 0.000 0.288 262 S C -1.187 173.433 174.600 0.032 0.000 1.108 262 S CA -0.596 57.588 58.200 -0.027 0.000 0.971 262 S CB 1.641 64.910 63.200 0.116 0.000 1.041 262 S HN 0.740 nan 8.310 nan 0.000 0.483 263 L N 2.418 123.684 121.223 0.071 0.000 2.455 263 L HA 0.932 5.272 4.340 -0.000 0.000 0.264 263 L C -1.089 175.998 176.870 0.362 0.000 0.968 263 L CA -0.229 54.748 54.840 0.228 0.000 0.827 263 L CB 1.616 43.834 42.059 0.266 0.000 1.317 263 L HN 0.859 nan 8.230 nan 0.000 0.407 264 A N 3.143 126.184 122.820 0.367 0.000 2.601 264 A HA 0.760 5.080 4.320 -0.000 0.000 0.291 264 A C -1.430 176.367 177.584 0.354 0.000 1.075 264 A CA -0.180 52.082 52.037 0.375 0.000 0.671 264 A CB 1.624 20.849 19.000 0.374 0.000 1.277 264 A HN 0.872 nan 8.150 nan 0.000 0.417 265 V N -1.554 118.502 119.914 0.237 0.000 3.177 265 V HA 0.752 4.872 4.120 -0.000 0.000 0.319 265 V C 0.215 176.075 176.094 -0.390 0.000 1.125 265 V CA -0.736 61.523 62.300 -0.068 0.000 1.029 265 V CB 1.424 33.218 31.823 -0.049 0.000 1.119 265 V HN 1.041 nan 8.190 nan 0.000 0.452 266 E N 0.739 120.352 120.200 -0.979 0.000 2.351 266 E HA 0.397 4.747 4.350 -0.000 0.000 0.266 266 E C 0.561 177.077 176.600 -0.140 0.000 1.031 266 E CA 0.475 56.442 56.400 -0.722 0.000 0.911 266 E CB 0.634 29.903 29.700 -0.719 0.000 0.986 266 E HN 1.003 nan 8.360 nan 0.000 0.446 267 G N 4.027 112.904 108.800 0.128 0.000 2.783 267 G HA2 0.135 4.095 3.960 -0.000 0.000 0.182 267 G HA3 0.135 4.095 3.960 -0.000 0.000 0.182 267 G C -0.426 174.636 174.900 0.270 0.000 1.516 267 G CA -0.346 44.925 45.100 0.285 0.000 1.079 267 G HN 0.562 nan 8.290 nan 0.000 0.573 268 E N 0.956 121.337 120.200 0.301 0.000 2.222 268 E HA 0.372 4.722 4.350 -0.000 0.000 0.267 268 E C -2.429 174.317 176.600 0.244 0.000 0.884 268 E CA -1.661 54.896 56.400 0.261 0.000 0.764 268 E CB 2.538 32.389 29.700 0.251 0.000 1.169 268 E HN 0.209 nan 8.360 nan 0.000 0.413 269 P HA 0.104 nan 4.420 nan 0.000 0.278 269 P C 0.138 177.566 177.300 0.212 0.000 1.258 269 P CA -0.556 62.674 63.100 0.216 0.000 0.811 269 P CB 0.862 32.674 31.700 0.186 0.000 1.063 270 V N -1.761 118.252 119.914 0.166 0.000 2.740 270 V HA 0.202 4.322 4.120 -0.000 0.000 0.303 270 V C 0.579 176.673 176.094 0.001 0.000 1.054 270 V CA -0.125 62.204 62.300 0.047 0.000 1.106 270 V CB -0.988 30.828 31.823 -0.013 0.000 0.957 270 V HN 0.826 nan 8.190 nan 0.000 0.486 271 N N 0.819 119.458 118.700 -0.101 0.000 2.806 271 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 271 N C -0.444 175.092 175.510 0.042 0.000 1.081 271 N CA 1.039 54.067 53.050 -0.037 0.000 0.680 271 N CB -1.207 37.273 38.487 -0.011 0.000 0.941 271 N HN 1.394 nan 8.380 nan 0.000 0.554 272 S N -0.325 115.424 115.700 0.081 0.000 2.526 272 S HA 0.709 5.179 4.470 -0.000 0.000 0.293 272 S C -1.825 172.861 174.600 0.144 0.000 1.092 272 S CA -1.425 56.853 58.200 0.129 0.000 0.980 272 S CB 1.653 64.958 63.200 0.175 0.000 1.048 272 S HN 0.022 nan 8.310 nan 0.000 0.483 273 P HA 0.023 nan 4.420 nan 0.000 0.221 273 P C -0.023 177.369 177.300 0.153 0.000 1.145 273 P CA 1.135 64.315 63.100 0.134 0.000 0.795 273 P CB -0.043 31.724 31.700 0.111 0.000 0.775 274 N N -2.982 115.813 118.700 0.158 0.000 2.204 274 N HA 0.052 4.792 4.740 -0.000 0.000 0.219 274 N C 0.972 176.501 175.510 0.032 0.000 1.151 274 N CA -0.360 52.752 53.050 0.103 0.000 0.867 274 N CB -0.385 38.209 38.487 0.178 0.000 1.043 274 N HN 0.051 nan 8.380 nan 0.000 0.516 275 Y N 0.464 120.729 120.300 -0.058 0.000 2.181 275 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 275 Y C 1.041 176.724 175.900 -0.362 0.000 1.179 275 Y CA 1.831 59.803 58.100 -0.214 0.000 1.179 275 Y CB -0.134 38.131 38.460 -0.325 0.000 0.973 275 Y HN 0.073 nan 8.280 nan 0.000 0.519 276 F N -1.795 118.160 119.950 0.008 0.000 2.219 276 F HA -0.106 4.421 4.527 -0.000 0.000 0.294 276 F C 2.264 177.914 175.800 -0.249 0.000 1.086 276 F CA 1.024 58.959 58.000 -0.107 0.000 1.330 276 F CB -0.651 38.355 39.000 0.010 0.000 1.047 276 F HN -0.188 nan 8.300 nan 0.000 0.495 277 V N 0.348 120.179 119.914 -0.139 0.000 2.287 277 V HA -0.355 3.765 4.120 -0.000 0.000 0.248 277 V C 2.580 178.228 176.094 -0.743 0.000 1.053 277 V CA 1.918 63.991 62.300 -0.378 0.000 1.027 277 V CB -1.461 30.107 31.823 -0.425 0.000 0.646 277 V HN 0.363 nan 8.190 nan 0.000 0.447 278 A N -0.372 121.873 122.820 -0.959 0.000 1.858 278 A HA -0.264 4.056 4.320 -0.000 0.000 0.216 278 A C 2.325 179.709 177.584 -0.335 0.000 1.190 278 A CA 2.173 53.598 52.037 -1.020 0.000 0.617 278 A CB -0.544 18.201 19.000 -0.424 0.000 0.827 278 A HN 0.501 nan 8.150 nan 0.000 0.443 279 K N -0.932 119.287 120.400 -0.301 0.000 2.211 279 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 279 K C 1.891 178.424 176.600 -0.112 0.000 1.047 279 K CA 1.274 57.444 56.287 -0.195 0.000 0.935 279 K CB -0.265 32.041 32.500 -0.325 0.000 0.728 279 K HN 0.525 nan 8.250 nan 0.000 0.452 280 L N -0.081 121.051 121.223 -0.151 0.000 2.095 280 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 280 L C 2.175 178.965 176.870 -0.134 0.000 1.080 280 L CA 1.296 56.058 54.840 -0.130 0.000 0.759 280 L CB -0.277 41.698 42.059 -0.140 0.000 0.914 280 L HN 0.076 nan 8.230 nan 0.000 0.439 281 A N -0.078 122.638 122.820 -0.173 0.000 1.978 281 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 281 A C 2.376 180.090 177.584 0.217 0.000 1.170 281 A CA 1.749 53.750 52.037 -0.060 0.000 0.636 281 A CB -0.960 17.885 19.000 -0.257 0.000 0.810 281 A HN 0.589 nan 8.150 nan 0.000 0.448 282 A N -1.362 121.630 122.820 0.287 0.000 1.968 282 A HA -0.063 4.257 4.320 -0.000 0.000 0.217 282 A C 2.078 179.655 177.584 -0.010 0.000 1.169 282 A CA 1.763 53.872 52.037 0.120 0.000 0.638 282 A CB -0.350 18.593 19.000 -0.095 0.000 0.812 282 A HN 0.502 nan 8.150 nan 0.000 0.446 283 Q N 0.193 119.963 119.800 -0.050 0.000 2.167 283 Q HA -0.028 4.312 4.340 -0.000 0.000 0.202 283 Q C 1.661 177.569 176.000 -0.153 0.000 0.970 283 Q CA 1.331 57.089 55.803 -0.074 0.000 0.855 283 Q CB -0.506 28.186 28.738 -0.076 0.000 0.911 283 Q HN 0.711 nan 8.270 nan 0.000 0.438 284 I N -0.530 119.864 120.570 -0.293 0.000 2.208 284 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 284 I C 1.157 176.942 176.117 -0.554 0.000 1.097 284 I CA 1.262 62.267 61.300 -0.492 0.000 1.363 284 I CB -0.253 37.286 38.000 -0.768 0.000 1.051 284 I HN 0.199 nan 8.210 nan 0.000 0.413 285 F N 0.389 120.240 119.950 -0.166 0.000 2.530 285 F HA 0.283 4.810 4.527 -0.000 0.000 0.292 285 F C 1.939 177.694 175.800 -0.075 0.000 1.109 285 F CA 0.407 58.239 58.000 -0.280 0.000 1.450 285 F CB -1.247 37.217 39.000 -0.893 0.000 1.114 285 F HN 0.141 nan 8.300 nan 0.000 0.560 286 G N 0.717 109.541 108.800 0.040 0.000 2.602 286 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.306 286 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.306 286 G C 0.118 175.217 174.900 0.331 0.000 1.301 286 G CA 0.436 45.631 45.100 0.159 0.000 0.974 286 G HN 0.776 nan 8.290 nan 0.000 0.547 287 S N -1.433 114.358 115.700 0.150 0.000 2.599 287 S HA 0.737 5.207 4.470 -0.000 0.000 0.294 287 S C -0.960 173.503 174.600 -0.228 0.000 1.094 287 S CA 0.134 58.331 58.200 -0.006 0.000 0.931 287 S CB 2.606 65.845 63.200 0.064 0.000 1.093 287 S HN 2.017 nan 8.310 nan 0.000 0.488 288 Y N 1.010 120.880 120.300 -0.718 0.000 2.544 288 Y HA 0.619 5.169 4.550 -0.000 0.000 0.342 288 Y C -1.458 174.256 175.900 -0.309 0.000 1.062 288 Y CA -0.674 57.073 58.100 -0.588 0.000 1.023 288 Y CB 1.801 39.684 38.460 -0.963 0.000 1.308 288 Y HN 0.995 nan 8.280 nan 0.000 0.457 289 N N 3.890 122.057 118.700 -0.887 0.000 2.581 289 N HA 0.453 5.193 4.740 -0.000 0.000 0.279 289 N C -0.027 174.923 175.510 -0.934 0.000 1.124 289 N CA 0.247 52.904 53.050 -0.655 0.000 0.833 289 N CB 1.611 39.961 38.487 -0.228 0.000 1.338 289 N HN 0.890 nan 8.380 nan 0.000 0.533 290 A N 2.738 124.888 122.820 -1.117 0.000 2.139 290 A HA -0.103 4.217 4.320 -0.000 0.000 0.221 290 A C 0.828 178.051 177.584 -0.602 0.000 1.159 290 A CA 1.122 52.692 52.037 -0.778 0.000 0.662 290 A CB -0.593 18.103 19.000 -0.507 0.000 0.796 290 A HN 0.714 nan 8.150 nan 0.000 0.463 291 F N -0.309 119.530 119.950 -0.185 0.000 2.619 291 F HA 0.141 4.668 4.527 -0.000 0.000 0.293 291 F C 0.766 176.519 175.800 -0.078 0.000 1.119 291 F CA 0.093 58.039 58.000 -0.091 0.000 1.445 291 F CB 0.306 39.267 39.000 -0.064 0.000 1.119 291 F HN 0.003 nan 8.300 nan 0.000 0.573 292 E N 1.924 122.140 120.200 0.026 0.000 2.052 292 E HA 0.111 4.461 4.350 -0.000 0.000 0.283 292 E C -1.753 174.842 176.600 -0.010 0.000 1.071 292 E CA -1.746 54.659 56.400 0.008 0.000 0.851 292 E CB 0.832 30.522 29.700 -0.017 0.000 1.066 292 E HN 0.068 nan 8.360 nan 0.000 0.396 293 P HA -0.273 nan 4.420 nan 0.000 0.220 293 P C 1.073 178.387 177.300 0.023 0.000 1.155 293 P CA 2.077 65.188 63.100 0.018 0.000 0.880 293 P CB 0.328 32.041 31.700 0.021 0.000 0.790 294 A N -1.371 121.460 122.820 0.018 0.000 1.969 294 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 294 A C 2.480 180.085 177.584 0.036 0.000 1.169 294 A CA 1.943 53.994 52.037 0.023 0.000 0.635 294 A CB -1.513 17.497 19.000 0.016 0.000 0.810 294 A HN 0.178 nan 8.150 nan 0.000 0.445 295 S N -0.515 115.202 115.700 0.027 0.000 2.382 295 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 295 S C 2.085 176.795 174.600 0.183 0.000 1.027 295 S CA 1.200 59.434 58.200 0.057 0.000 0.991 295 S CB -0.325 62.834 63.200 -0.069 0.000 0.823 295 S HN 0.639 nan 8.310 nan 0.000 0.469 296 R N 0.318 120.917 120.500 0.164 0.000 2.189 296 R HA 0.074 4.414 4.340 -0.000 0.000 0.223 296 R C 1.668 178.037 176.300 0.116 0.000 1.092 296 R CA 0.826 57.057 56.100 0.218 0.000 0.989 296 R CB -0.287 30.098 30.300 0.143 0.000 0.876 296 R HN 0.432 nan 8.270 nan 0.000 0.457 297 L N 0.680 121.950 121.223 0.079 0.000 2.567 297 L HA 0.055 4.395 4.340 -0.000 0.000 0.225 297 L C 0.644 177.539 176.870 0.041 0.000 1.119 297 L CA 0.023 54.891 54.840 0.046 0.000 0.871 297 L CB -0.108 41.970 42.059 0.031 0.000 1.036 297 L HN 0.112 nan 8.230 nan 0.000 0.459 298 Q N 0.558 120.393 119.800 0.059 0.000 2.469 298 Q HA 0.031 4.371 4.340 -0.000 0.000 0.279 298 Q C 0.951 176.970 176.000 0.031 0.000 1.097 298 Q CA 0.388 56.219 55.803 0.047 0.000 0.951 298 Q CB 0.322 29.101 28.738 0.069 0.000 1.297 298 Q HN 0.279 nan 8.270 nan 0.000 0.465 299 G N 2.283 111.093 108.800 0.016 0.000 3.541 299 G HA2 0.352 4.312 3.960 -0.000 0.000 0.253 299 G HA3 0.352 4.312 3.960 -0.000 0.000 0.253 299 G C -0.263 174.639 174.900 0.003 0.000 1.017 299 G CA -0.186 44.916 45.100 0.003 0.000 1.832 299 G HN 0.384 nan 8.290 nan 0.000 0.649 300 I N 0.111 120.697 120.570 0.026 0.000 2.389 300 I HA 0.220 4.390 4.170 -0.000 0.000 0.288 300 I C 1.022 177.163 176.117 0.040 0.000 0.999 300 I CA -0.772 60.558 61.300 0.051 0.000 1.129 300 I CB 2.201 40.276 38.000 0.124 0.000 1.288 300 I HN 0.119 nan 8.210 nan 0.000 0.444 301 K N 3.299 123.724 120.400 0.042 0.000 2.103 301 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 301 K C 1.834 178.419 176.600 -0.024 0.000 1.048 301 K CA 1.226 57.520 56.287 0.012 0.000 0.930 301 K CB -0.056 32.461 32.500 0.028 0.000 0.716 301 K HN 0.485 nan 8.250 nan 0.000 0.444 302 L N 1.691 122.921 121.223 0.013 0.000 2.129 302 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 302 L C 1.732 178.519 176.870 -0.139 0.000 1.087 302 L CA 1.546 56.338 54.840 -0.081 0.000 0.757 302 L CB -0.321 41.699 42.059 -0.064 0.000 0.896 302 L HN 0.169 nan 8.230 nan 0.000 0.434 303 L N -1.010 120.161 121.223 -0.087 0.000 2.275 303 L HA -0.170 4.170 4.340 -0.000 0.000 0.215 303 L C 2.017 178.801 176.870 -0.144 0.000 1.119 303 L CA 0.867 55.621 54.840 -0.144 0.000 0.790 303 L CB -0.837 41.154 42.059 -0.113 0.000 0.919 303 L HN 0.307 nan 8.230 nan 0.000 0.443 304 D N 0.285 120.603 120.400 -0.137 0.000 2.144 304 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 304 D C 1.788 177.960 176.300 -0.214 0.000 0.978 304 D CA 1.198 55.113 54.000 -0.141 0.000 0.833 304 D CB -0.141 40.587 40.800 -0.120 0.000 0.961 304 D HN 0.477 nan 8.370 nan 0.000 0.470 305 N N 0.221 118.715 118.700 -0.344 0.000 2.207 305 N HA -0.056 4.684 4.740 -0.000 0.000 0.182 305 N C 1.958 177.234 175.510 -0.390 0.000 1.020 305 N CA 0.604 53.282 53.050 -0.621 0.000 0.858 305 N CB 0.055 37.810 38.487 -1.221 0.000 0.991 305 N HN 0.200 nan 8.380 nan 0.000 0.427 306 I N -0.695 119.737 120.570 -0.231 0.000 2.876 306 I HA -0.030 4.139 4.170 -0.000 0.000 0.264 306 I C 1.577 177.686 176.117 -0.012 0.000 1.204 306 I CA 1.190 62.454 61.300 -0.059 0.000 1.485 306 I CB -0.174 37.795 38.000 -0.052 0.000 1.103 306 I HN 0.032 nan 8.210 nan 0.000 0.446 307 Q N 0.884 120.646 119.800 -0.063 0.000 2.378 307 Q HA -0.118 4.222 4.340 -0.000 0.000 0.205 307 Q C 1.940 177.917 176.000 -0.039 0.000 0.954 307 Q CA 0.996 56.782 55.803 -0.028 0.000 0.901 307 Q CB -0.077 28.638 28.738 -0.038 0.000 0.981 307 Q HN 0.716 nan 8.270 nan 0.000 0.483 308 E N 0.357 120.524 120.200 -0.055 0.000 2.038 308 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 308 E C 0.496 176.929 176.600 -0.277 0.000 1.000 308 E CA 1.226 57.533 56.400 -0.155 0.000 0.803 308 E CB 0.114 29.751 29.700 -0.104 0.000 0.750 308 E HN 0.388 nan 8.360 nan 0.000 0.448 309 Y N -0.429 119.882 120.300 0.019 0.000 2.555 309 Y HA 0.195 4.745 4.550 -0.000 0.000 0.259 309 Y C -0.168 175.748 175.900 0.027 0.000 1.179 309 Y CA -0.208 57.909 58.100 0.028 0.000 1.230 309 Y CB 0.734 39.221 38.460 0.045 0.000 1.146 309 Y HN 0.009 nan 8.280 nan 0.000 0.526 310 Q N 0.533 120.401 119.800 0.114 0.000 2.448 310 Q HA -0.190 4.150 4.340 -0.000 0.000 0.357 310 Q C -0.070 175.999 176.000 0.116 0.000 1.443 310 Q CA 0.108 55.964 55.803 0.088 0.000 0.996 310 Q CB -1.267 27.494 28.738 0.038 0.000 1.180 310 Q HN 0.463 nan 8.270 nan 0.000 0.338 311 L N -0.153 121.152 121.223 0.137 0.000 2.465 311 L HA 0.135 4.474 4.340 -0.000 0.000 0.224 311 L C 1.047 177.991 176.870 0.124 0.000 1.145 311 L CA 1.499 56.418 54.840 0.131 0.000 0.834 311 L CB -0.620 41.528 42.059 0.148 0.000 0.944 311 L HN 0.875 nan 8.230 nan 0.000 0.451 312 C N -5.881 113.514 119.300 0.159 0.000 3.302 312 C HA 0.348 4.808 4.460 -0.000 0.000 0.347 312 C C 0.935 176.040 174.990 0.191 0.000 1.218 312 C CA -1.115 58.008 59.018 0.175 0.000 1.234 312 C CB 0.806 28.700 27.740 0.257 0.000 1.551 312 C HN 0.071 nan 8.230 nan 0.000 0.501 313 D N 1.433 121.913 120.400 0.133 0.000 2.234 313 D HA 0.117 4.757 4.640 -0.000 0.000 0.205 313 D C 0.679 177.039 176.300 0.101 0.000 0.962 313 D CA 1.767 55.833 54.000 0.111 0.000 0.855 313 D CB 0.145 41.080 40.800 0.224 0.000 0.951 313 D HN 0.887 nan 8.370 nan 0.000 0.500 314 N N -0.976 117.845 118.700 0.202 0.000 3.348 314 N HA 0.249 4.989 4.740 -0.000 0.000 0.233 314 N C -1.369 174.380 175.510 0.398 0.000 1.440 314 N CA -0.643 52.525 53.050 0.196 0.000 0.887 314 N CB 1.395 39.933 38.487 0.085 0.000 1.410 314 N HN -0.003 nan 8.380 nan 0.000 0.502 315 F N -1.657 118.489 119.950 0.327 0.000 2.713 315 F HA 0.638 5.165 4.527 0.000 0.000 0.311 315 F C -2.095 173.917 175.800 0.353 0.000 1.141 315 F CA -0.905 57.302 58.000 0.344 0.000 0.939 315 F CB 1.522 40.809 39.000 0.478 0.000 1.325 315 F HN 0.676 nan 8.300 nan 0.000 0.453 316 N N 0.179 119.258 118.700 0.632 0.000 2.554 316 N HA 0.191 4.931 4.740 -0.000 0.000 0.271 316 N C -2.007 173.766 175.510 0.440 0.000 1.081 316 N CA -0.622 52.724 53.050 0.494 0.000 0.994 316 N CB 1.364 40.036 38.487 0.310 0.000 1.641 316 N HN 0.878 nan 8.380 nan 0.000 0.511 317 H N 1.185 120.428 119.070 0.288 0.000 2.509 317 H HA 0.579 5.135 4.556 -0.000 0.000 0.359 317 H C -0.571 174.677 175.328 -0.133 0.000 1.253 317 H CA 0.128 56.119 56.048 -0.095 0.000 1.373 317 H CB 1.123 30.808 29.762 -0.129 0.000 1.555 317 H HN 0.603 nan 8.280 nan 0.000 0.586 318 F N -1.879 117.974 119.950 -0.162 0.000 2.703 318 F HA 0.293 4.820 4.527 -0.000 0.000 0.308 318 F C -0.823 174.797 175.800 -0.299 0.000 1.126 318 F CA -1.119 56.788 58.000 -0.154 0.000 0.959 318 F CB 1.375 40.353 39.000 -0.037 0.000 1.297 318 F HN 0.294 nan 8.300 nan 0.000 0.441 319 S N 2.724 118.499 115.700 0.125 0.000 2.252 319 S HA 0.595 5.065 4.470 -0.000 0.000 0.187 319 S C -1.306 173.365 174.600 0.119 0.000 1.587 319 S CA -0.385 57.895 58.200 0.135 0.000 1.215 319 S CB -0.241 63.015 63.200 0.093 0.000 1.085 319 S HN 0.567 nan 8.310 nan 0.000 0.466 320 L N 3.435 124.783 121.223 0.210 0.000 2.410 320 L HA 0.472 4.812 4.340 -0.000 0.000 0.273 320 L C 0.428 177.239 176.870 -0.098 0.000 1.152 320 L CA 0.681 55.525 54.840 0.007 0.000 0.855 320 L CB 1.097 43.195 42.059 0.064 0.000 1.129 320 L HN 0.485 nan 8.230 nan 0.000 0.463 321 S N 2.967 118.492 115.700 -0.293 0.000 2.526 321 S HA 0.774 5.244 4.470 -0.000 0.000 0.293 321 S C -1.049 173.289 174.600 -0.436 0.000 1.092 321 S CA -0.475 57.618 58.200 -0.177 0.000 0.980 321 S CB 1.385 64.669 63.200 0.139 0.000 1.048 321 S HN 0.364 nan 8.310 nan 0.000 0.483 322 Y N 0.318 120.725 120.300 0.179 0.000 2.805 322 Y HA 0.454 5.004 4.550 -0.000 0.000 0.323 322 Y C 1.438 177.399 175.900 0.101 0.000 1.279 322 Y CA -1.216 56.954 58.100 0.117 0.000 1.103 322 Y CB 0.895 39.382 38.460 0.046 0.000 1.324 322 Y HN 0.557 nan 8.280 nan 0.000 0.498 323 K N 0.143 120.698 120.400 0.258 0.000 2.009 323 K HA -0.180 4.140 4.320 -0.000 0.000 0.210 323 K C 0.467 177.150 176.600 0.138 0.000 1.049 323 K CA 2.515 58.897 56.287 0.158 0.000 0.929 323 K CB -0.168 32.407 32.500 0.125 0.000 0.714 323 K HN 0.690 nan 8.250 nan 0.000 0.440 324 D N -0.665 119.809 120.400 0.123 0.000 2.301 324 D HA 0.057 4.697 4.640 -0.000 0.000 0.206 324 D C 0.599 176.992 176.300 0.156 0.000 0.979 324 D CA 0.351 54.416 54.000 0.108 0.000 0.874 324 D CB 0.916 41.751 40.800 0.058 0.000 0.968 324 D HN 0.089 nan 8.370 nan 0.000 0.510 325 S N -1.952 113.871 115.700 0.204 0.000 2.755 325 S HA 0.680 5.150 4.470 -0.000 0.000 0.286 325 S C -0.971 173.891 174.600 0.437 0.000 1.207 325 S CA -0.158 58.230 58.200 0.314 0.000 0.892 325 S CB 1.400 64.848 63.200 0.413 0.000 1.240 325 S HN 0.192 nan 8.310 nan 0.000 0.525 326 G N -0.066 109.060 108.800 0.543 0.000 2.606 326 G HA2 0.634 4.594 3.960 -0.000 0.000 0.300 326 G HA3 0.634 4.594 3.960 -0.000 0.000 0.300 326 G C -2.353 172.901 174.900 0.590 0.000 1.360 326 G CA -0.591 44.836 45.100 0.545 0.000 0.783 326 G HN 0.747 nan 8.290 nan 0.000 0.484 327 L N -0.194 121.334 121.223 0.509 0.000 2.439 327 L HA 0.498 4.838 4.340 -0.000 0.000 0.270 327 L C -1.652 175.519 176.870 0.502 0.000 0.972 327 L CA -0.462 54.664 54.840 0.477 0.000 0.836 327 L CB 2.706 45.058 42.059 0.488 0.000 1.255 327 L HN 0.667 nan 8.230 nan 0.000 0.404 328 W N 4.406 125.835 121.300 0.216 0.000 2.471 328 W HA 0.688 5.348 4.660 -0.000 0.000 0.318 328 W C 0.095 176.558 176.519 -0.094 0.000 1.034 328 W CA 0.150 57.556 57.345 0.101 0.000 1.224 328 W CB 1.727 31.271 29.460 0.141 0.000 1.335 328 W HN 0.583 nan 8.180 nan 0.000 0.452 329 G N 3.740 112.012 108.800 -0.880 0.000 2.393 329 G HA2 0.455 4.415 3.960 -0.000 0.000 0.264 329 G HA3 0.455 4.415 3.960 -0.000 0.000 0.264 329 G C -1.666 172.499 174.900 -1.225 0.000 1.221 329 G CA -0.294 44.344 45.100 -0.770 0.000 0.912 329 G HN 0.953 nan 8.290 nan 0.000 0.483 330 F N -1.032 118.429 119.950 -0.815 0.000 2.715 330 F HA 0.886 5.413 4.527 -0.000 0.000 0.318 330 F C -0.726 175.021 175.800 -0.088 0.000 1.141 330 F CA -0.976 56.593 58.000 -0.719 0.000 0.950 330 F CB 1.797 40.277 39.000 -0.867 0.000 1.374 330 F HN 0.578 nan 8.300 nan 0.000 0.477 331 S N 0.397 115.925 115.700 -0.287 0.000 2.570 331 S HA 0.770 5.240 4.470 -0.000 0.000 0.286 331 S C -1.104 173.367 174.600 -0.215 0.000 1.099 331 S CA -0.691 57.370 58.200 -0.232 0.000 0.913 331 S CB 1.982 65.297 63.200 0.192 0.000 1.085 331 S HN 0.930 nan 8.310 nan 0.000 0.480 332 T N 0.342 114.796 114.554 -0.166 0.000 2.840 332 T HA 0.726 5.076 4.350 -0.000 0.000 0.317 332 T C -2.005 172.721 174.700 0.044 0.000 1.401 332 T CA -0.351 61.777 62.100 0.047 0.000 1.028 332 T CB 1.386 70.305 68.868 0.084 0.000 1.317 332 T HN 0.929 nan 8.240 nan 0.000 0.495 333 A N 1.846 124.691 122.820 0.042 0.000 2.393 333 A HA 0.869 5.189 4.320 -0.000 0.000 0.306 333 A C -0.278 177.219 177.584 -0.145 0.000 1.050 333 A CA -0.600 51.319 52.037 -0.196 0.000 0.724 333 A CB 2.005 20.878 19.000 -0.211 0.000 1.248 333 A HN 0.984 nan 8.150 nan 0.000 0.424 334 T N 0.181 114.575 114.554 -0.267 0.000 2.889 334 T HA 0.551 4.901 4.350 -0.000 0.000 0.315 334 T C 0.089 174.678 174.700 -0.185 0.000 1.291 334 T CA -0.416 61.602 62.100 -0.138 0.000 1.028 334 T CB 1.410 70.247 68.868 -0.051 0.000 1.235 334 T HN 0.612 nan 8.240 nan 0.000 0.491 335 R N 1.422 121.870 120.500 -0.088 0.000 2.404 335 R HA 0.308 4.648 4.340 -0.000 0.000 0.237 335 R C 0.641 176.921 176.300 -0.033 0.000 0.907 335 R CA -0.039 56.018 56.100 -0.071 0.000 1.063 335 R CB 0.245 30.534 30.300 -0.019 0.000 1.134 335 R HN 0.554 nan 8.270 nan 0.000 0.529 336 N N 1.151 119.841 118.700 -0.017 0.000 2.968 336 N HA 0.001 4.741 4.740 -0.000 0.000 0.271 336 N C 1.056 176.554 175.510 -0.019 0.000 1.174 336 N CA -0.258 52.793 53.050 0.002 0.000 1.096 336 N CB 0.822 39.328 38.487 0.031 0.000 1.403 336 N HN -0.001 nan 8.380 nan 0.000 0.522 337 V N -0.060 119.836 119.914 -0.031 0.000 3.444 337 V HA -0.051 4.069 4.120 -0.000 0.000 0.271 337 V C 1.610 177.683 176.094 -0.035 0.000 1.188 337 V CA 1.547 63.824 62.300 -0.039 0.000 1.168 337 V CB -0.783 31.015 31.823 -0.042 0.000 0.810 337 V HN 0.615 nan 8.190 nan 0.000 0.500 338 T N -3.576 110.959 114.554 -0.031 0.000 3.069 338 T HA 0.363 4.713 4.350 -0.000 0.000 0.252 338 T C 1.027 175.694 174.700 -0.055 0.000 1.053 338 T CA 0.258 62.334 62.100 -0.040 0.000 0.964 338 T CB -0.008 68.839 68.868 -0.035 0.000 1.005 338 T HN 0.473 nan 8.240 nan 0.000 0.532 339 M N 0.279 119.850 119.600 -0.048 0.000 2.603 339 M HA 0.471 4.951 4.480 -0.000 0.000 0.380 339 M C 0.828 177.097 176.300 -0.052 0.000 1.158 339 M CA -0.131 55.131 55.300 -0.062 0.000 0.921 339 M CB 0.219 32.787 32.600 -0.053 0.000 1.417 339 M HN 0.094 nan 8.290 nan 0.000 0.523 340 I N 1.678 122.219 120.570 -0.048 0.000 2.335 340 I HA -0.314 3.856 4.170 -0.000 0.000 0.251 340 I C 2.285 178.364 176.117 -0.062 0.000 1.129 340 I CA 1.510 62.785 61.300 -0.041 0.000 1.402 340 I CB -0.407 37.569 38.000 -0.040 0.000 1.069 340 I HN 0.486 nan 8.210 nan 0.000 0.424 341 D N 0.554 120.899 120.400 -0.092 0.000 2.178 341 D HA -0.225 4.415 4.640 -0.000 0.000 0.202 341 D C 1.323 177.528 176.300 -0.160 0.000 0.974 341 D CA 1.210 55.135 54.000 -0.124 0.000 0.841 341 D CB -0.466 40.246 40.800 -0.147 0.000 0.953 341 D HN 0.372 nan 8.370 nan 0.000 0.478 342 D N 0.889 121.184 120.400 -0.175 0.000 2.149 342 D HA -0.046 4.594 4.640 -0.000 0.000 0.201 342 D C 2.326 178.525 176.300 -0.169 0.000 0.972 342 D CA 0.083 53.916 54.000 -0.279 0.000 0.835 342 D CB -0.008 40.661 40.800 -0.218 0.000 0.966 342 D HN 0.238 nan 8.370 nan 0.000 0.476 343 L N 0.999 122.202 121.223 -0.034 0.000 1.970 343 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 343 L C 2.257 179.091 176.870 -0.058 0.000 1.071 343 L CA 1.112 55.966 54.840 0.023 0.000 0.751 343 L CB -0.138 41.949 42.059 0.045 0.000 0.889 343 L HN -0.028 nan 8.230 nan 0.000 0.432 344 I N -0.582 119.944 120.570 -0.073 0.000 2.286 344 I HA -0.305 3.865 4.170 -0.000 0.000 0.248 344 I C 2.477 178.453 176.117 -0.234 0.000 1.115 344 I CA 1.507 62.729 61.300 -0.130 0.000 1.392 344 I CB -1.792 36.157 38.000 -0.086 0.000 1.065 344 I HN 0.454 nan 8.210 nan 0.000 0.418 345 H N 1.030 119.911 119.070 -0.315 0.000 2.326 345 H HA -0.156 4.400 4.556 -0.000 0.000 0.301 345 H C 2.041 177.172 175.328 -0.327 0.000 1.081 345 H CA 1.809 57.636 56.048 -0.369 0.000 1.334 345 H CB -0.261 29.224 29.762 -0.461 0.000 1.385 345 H HN 0.079 nan 8.280 nan 0.000 0.504 346 F N 0.430 120.151 119.950 -0.382 0.000 2.102 346 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 346 F C 2.768 178.262 175.800 -0.510 0.000 1.105 346 F CA 1.680 59.425 58.000 -0.425 0.000 1.239 346 F CB -1.112 37.736 39.000 -0.252 0.000 0.991 346 F HN 0.171 nan 8.300 nan 0.000 0.474 347 T N 0.484 114.796 114.554 -0.403 0.000 2.684 347 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 347 T C 2.013 176.042 174.700 -1.119 0.000 1.036 347 T CA 1.357 62.967 62.100 -0.817 0.000 1.148 347 T CB -0.585 67.605 68.868 -1.130 0.000 0.863 347 T HN 0.001 nan 8.240 nan 0.000 0.436 348 L N 0.471 121.118 121.223 -0.960 0.000 2.275 348 L HA 0.059 4.399 4.340 -0.000 0.000 0.215 348 L C 2.333 178.926 176.870 -0.461 0.000 1.119 348 L CA 1.333 55.667 54.840 -0.843 0.000 0.790 348 L CB -0.406 41.300 42.059 -0.588 0.000 0.919 348 L HN 0.001 nan 8.230 nan 0.000 0.443 349 K N -0.744 119.406 120.400 -0.417 0.000 2.116 349 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 349 K C 2.063 178.596 176.600 -0.111 0.000 1.052 349 K CA 0.709 56.849 56.287 -0.245 0.000 0.952 349 K CB -0.135 32.196 32.500 -0.281 0.000 0.729 349 K HN 0.285 nan 8.250 nan 0.000 0.446 350 Q N -0.468 119.230 119.800 -0.170 0.000 2.050 350 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 350 Q C 1.953 178.041 176.000 0.147 0.000 0.980 350 Q CA 1.203 56.994 55.803 -0.020 0.000 0.840 350 Q CB -0.322 28.343 28.738 -0.122 0.000 0.898 350 Q HN 0.367 nan 8.270 nan 0.000 0.424 351 W N 1.382 122.513 121.300 -0.281 0.000 2.392 351 W HA -0.092 4.568 4.660 -0.000 0.000 0.279 351 W C 1.729 178.295 176.519 0.078 0.000 1.225 351 W CA 0.477 57.766 57.345 -0.093 0.000 1.233 351 W CB -1.267 28.130 29.460 -0.105 0.000 1.122 351 W HN 0.359 nan 8.180 nan 0.000 0.561 352 N N 0.037 118.896 118.700 0.265 0.000 2.166 352 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 352 N C 1.784 177.497 175.510 0.338 0.000 1.019 352 N CA 1.319 54.559 53.050 0.317 0.000 0.856 352 N CB -0.339 38.282 38.487 0.224 0.000 0.993 352 N HN 0.116 nan 8.380 nan 0.000 0.426 353 R N 0.910 121.568 120.500 0.263 0.000 2.117 353 R HA -0.092 4.248 4.340 -0.000 0.000 0.243 353 R C 1.976 178.389 176.300 0.188 0.000 1.143 353 R CA 0.872 57.098 56.100 0.211 0.000 0.968 353 R CB -0.495 29.928 30.300 0.204 0.000 0.863 353 R HN 0.304 nan 8.270 nan 0.000 0.444 354 L N 0.124 121.498 121.223 0.252 0.000 2.263 354 L HA -0.188 4.152 4.340 -0.000 0.000 0.216 354 L C 1.791 178.723 176.870 0.104 0.000 1.111 354 L CA 1.215 56.166 54.840 0.186 0.000 0.773 354 L CB -0.529 41.671 42.059 0.235 0.000 0.906 354 L HN 0.270 nan 8.230 nan 0.000 0.439 355 T N -0.577 114.029 114.554 0.087 0.000 3.031 355 T HA 0.080 4.430 4.350 -0.000 0.000 0.254 355 T C 1.692 176.314 174.700 -0.129 0.000 1.060 355 T CA 0.914 62.984 62.100 -0.050 0.000 1.135 355 T CB 0.294 69.080 68.868 -0.136 0.000 0.896 355 T HN 0.473 nan 8.240 nan 0.000 0.472 356 I N -1.344 119.185 120.570 -0.069 0.000 4.338 356 I HA 0.369 4.539 4.170 -0.000 0.000 0.315 356 I C 1.294 177.399 176.117 -0.020 0.000 1.262 356 I CA -0.033 61.218 61.300 -0.082 0.000 1.298 356 I CB 0.577 38.518 38.000 -0.098 0.000 1.257 356 I HN 0.095 nan 8.210 nan 0.000 0.444 357 S N 0.731 116.444 115.700 0.023 0.000 3.031 357 S HA 0.312 4.782 4.470 -0.000 0.000 0.253 357 S C 0.024 174.643 174.600 0.031 0.000 0.996 357 S CA -0.321 57.895 58.200 0.025 0.000 1.098 357 S CB -0.198 63.023 63.200 0.036 0.000 1.042 357 S HN 0.167 nan 8.310 nan 0.000 0.593 358 V N 4.143 124.077 119.914 0.033 0.000 2.655 358 V HA 0.448 4.568 4.120 -0.000 0.000 0.300 358 V C 0.666 176.758 176.094 -0.003 0.000 1.044 358 V CA 0.845 63.158 62.300 0.021 0.000 1.095 358 V CB 0.857 32.690 31.823 0.016 0.000 0.952 358 V HN 0.742 nan 8.190 nan 0.000 0.485 359 T N 2.347 116.893 114.554 -0.013 0.000 2.902 359 T HA 0.287 4.637 4.350 -0.000 0.000 0.280 359 T C 0.874 175.554 174.700 -0.033 0.000 0.992 359 T CA -0.388 61.700 62.100 -0.020 0.000 1.015 359 T CB 1.201 70.058 68.868 -0.018 0.000 1.044 359 T HN 0.702 nan 8.240 nan 0.000 0.520 360 D N 0.685 121.067 120.400 -0.031 0.000 2.104 360 D HA -0.148 4.492 4.640 -0.000 0.000 0.194 360 D C 2.150 178.424 176.300 -0.043 0.000 0.994 360 D CA 2.064 56.042 54.000 -0.036 0.000 0.830 360 D CB -0.380 40.402 40.800 -0.030 0.000 0.959 360 D HN 0.825 nan 8.370 nan 0.000 0.452 361 T N -0.191 114.340 114.554 -0.039 0.000 2.915 361 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 361 T C 1.679 176.346 174.700 -0.055 0.000 1.071 361 T CA 1.186 63.260 62.100 -0.043 0.000 1.132 361 T CB 0.038 68.885 68.868 -0.034 0.000 0.878 361 T HN 0.133 nan 8.240 nan 0.000 0.479 362 E N -0.048 120.116 120.200 -0.061 0.000 2.072 362 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 362 E C 2.386 178.923 176.600 -0.105 0.000 0.982 362 E CA 1.072 57.420 56.400 -0.086 0.000 0.803 362 E CB -0.069 29.575 29.700 -0.094 0.000 0.755 362 E HN 0.348 nan 8.360 nan 0.000 0.453 363 V N 1.857 121.716 119.914 -0.092 0.000 2.295 363 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 363 V C 2.183 178.221 176.094 -0.094 0.000 1.049 363 V CA 1.664 63.906 62.300 -0.096 0.000 1.024 363 V CB -0.402 31.375 31.823 -0.077 0.000 0.648 363 V HN 0.210 nan 8.190 nan 0.000 0.447 364 E N 0.051 120.204 120.200 -0.079 0.000 2.051 364 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 364 E C 2.325 178.876 176.600 -0.082 0.000 0.991 364 E CA 1.116 57.471 56.400 -0.076 0.000 0.799 364 E CB -0.431 29.233 29.700 -0.061 0.000 0.748 364 E HN 0.479 nan 8.360 nan 0.000 0.449 365 R N 0.539 120.992 120.500 -0.078 0.000 2.105 365 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 365 R C 2.121 178.367 176.300 -0.089 0.000 1.135 365 R CA 1.296 57.351 56.100 -0.075 0.000 0.967 365 R CB -0.094 30.165 30.300 -0.068 0.000 0.861 365 R HN 0.136 nan 8.270 nan 0.000 0.442 366 A N 1.188 123.944 122.820 -0.107 0.000 1.873 366 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 366 A C 1.983 179.495 177.584 -0.120 0.000 1.186 366 A CA 1.442 53.409 52.037 -0.117 0.000 0.616 366 A CB -0.325 18.592 19.000 -0.138 0.000 0.823 366 A HN 0.296 nan 8.150 nan 0.000 0.442 367 K N 0.111 120.435 120.400 -0.126 0.000 2.034 367 K HA -0.168 4.152 4.320 -0.000 0.000 0.214 367 K C 2.419 178.908 176.600 -0.185 0.000 1.051 367 K CA 1.905 58.099 56.287 -0.154 0.000 0.931 367 K CB -0.324 32.091 32.500 -0.143 0.000 0.715 367 K HN 0.458 nan 8.250 nan 0.000 0.446 368 S N 1.393 117.004 115.700 -0.149 0.000 2.353 368 S HA -0.138 4.332 4.470 -0.000 0.000 0.222 368 S C 1.970 176.487 174.600 -0.138 0.000 1.035 368 S CA 1.270 59.383 58.200 -0.144 0.000 1.025 368 S CB -0.346 62.797 63.200 -0.095 0.000 0.902 368 S HN 0.201 nan 8.310 nan 0.000 0.440 369 L N 0.958 122.118 121.223 -0.105 0.000 2.131 369 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 369 L C 2.379 179.197 176.870 -0.087 0.000 1.092 369 L CA 0.762 55.555 54.840 -0.079 0.000 0.759 369 L CB -0.434 41.590 42.059 -0.057 0.000 0.903 369 L HN 0.306 nan 8.230 nan 0.000 0.435 370 L N -0.081 121.072 121.223 -0.116 0.000 2.056 370 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 370 L C 2.630 179.409 176.870 -0.151 0.000 1.078 370 L CA 1.495 56.270 54.840 -0.108 0.000 0.749 370 L CB -0.135 41.860 42.059 -0.107 0.000 0.901 370 L HN 0.256 nan 8.230 nan 0.000 0.433 371 K N -0.387 119.837 120.400 -0.294 0.000 2.032 371 K HA -0.251 4.069 4.320 -0.000 0.000 0.209 371 K C 1.936 178.444 176.600 -0.154 0.000 1.048 371 K CA 1.465 57.455 56.287 -0.495 0.000 0.927 371 K CB -0.310 31.675 32.500 -0.859 0.000 0.712 371 K HN 0.144 nan 8.250 nan 0.000 0.441 372 L N 1.915 123.078 121.223 -0.100 0.000 2.046 372 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 372 L C 2.495 179.376 176.870 0.018 0.000 1.077 372 L CA 1.796 56.630 54.840 -0.011 0.000 0.747 372 L CB -0.449 41.599 42.059 -0.019 0.000 0.896 372 L HN 0.248 nan 8.230 nan 0.000 0.432 373 Q N -1.701 118.099 119.800 0.001 0.000 2.137 373 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 373 Q C 2.098 178.117 176.000 0.032 0.000 0.960 373 Q CA 1.489 57.306 55.803 0.022 0.000 0.847 373 Q CB -0.761 27.988 28.738 0.018 0.000 0.915 373 Q HN 0.394 nan 8.270 nan 0.000 0.448 374 L N 1.230 122.459 121.223 0.010 0.000 2.201 374 L HA 0.065 4.405 4.340 -0.000 0.000 0.212 374 L C 2.088 178.967 176.870 0.015 0.000 1.105 374 L CA 1.989 56.811 54.840 -0.030 0.000 0.775 374 L CB -0.852 41.191 42.059 -0.026 0.000 0.913 374 L HN 0.453 nan 8.230 nan 0.000 0.440 375 G N -1.641 107.230 108.800 0.118 0.000 2.454 375 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.214 375 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.214 375 G C 1.349 176.325 174.900 0.126 0.000 1.217 375 G CA 0.423 45.618 45.100 0.159 0.000 0.799 375 G HN 0.450 nan 8.290 nan 0.000 0.538 376 Q N -0.273 119.586 119.800 0.099 0.000 2.376 376 Q HA -0.003 4.337 4.340 -0.000 0.000 0.211 376 Q C 2.405 178.471 176.000 0.109 0.000 0.986 376 Q CA 0.562 56.418 55.803 0.088 0.000 0.886 376 Q CB -0.150 28.628 28.738 0.067 0.000 0.927 376 Q HN 0.440 nan 8.270 nan 0.000 0.457 377 L N -1.598 119.712 121.223 0.145 0.000 2.185 377 L HA -0.061 4.279 4.340 -0.000 0.000 0.198 377 L C 1.770 178.824 176.870 0.306 0.000 1.079 377 L CA 0.661 55.624 54.840 0.205 0.000 0.780 377 L CB -0.146 42.049 42.059 0.227 0.000 0.955 377 L HN 0.251 nan 8.230 nan 0.000 0.462 378 Y N 0.660 120.996 120.300 0.059 0.000 2.497 378 Y HA -0.156 4.394 4.550 -0.000 0.000 0.292 378 Y C 0.505 176.414 175.900 0.015 0.000 1.137 378 Y CA 0.136 58.258 58.100 0.037 0.000 1.285 378 Y CB 0.273 38.760 38.460 0.044 0.000 0.991 378 Y HN 0.349 nan 8.280 nan 0.000 0.556 379 E N -0.513 119.790 120.200 0.172 0.000 3.117 379 E HA 0.299 4.649 4.350 -0.000 0.000 0.262 379 E C -0.893 175.746 176.600 0.065 0.000 1.202 379 E CA -0.331 56.122 56.400 0.088 0.000 0.853 379 E CB 1.134 30.875 29.700 0.068 0.000 1.426 379 E HN -0.101 nan 8.360 nan 0.000 0.387 380 S N 0.764 116.496 115.700 0.054 0.000 2.767 380 S HA 0.645 5.115 4.470 -0.000 0.000 0.300 380 S C 0.766 175.381 174.600 0.024 0.000 1.123 380 S CA -0.191 58.033 58.200 0.041 0.000 0.992 380 S CB 1.271 64.498 63.200 0.044 0.000 1.138 380 S HN 0.537 nan 8.310 nan 0.000 0.550 381 G N 1.855 110.664 108.800 0.016 0.000 3.474 381 G HA2 0.193 4.153 3.960 -0.000 0.000 0.269 381 G HA3 0.193 4.153 3.960 -0.000 0.000 0.269 381 G C -0.181 174.723 174.900 0.006 0.000 1.339 381 G CA -0.213 44.891 45.100 0.006 0.000 1.258 381 G HN 0.502 nan 8.290 nan 0.000 0.560 382 N N 0.032 118.738 118.700 0.011 0.000 2.558 382 N HA 0.320 5.060 4.740 -0.000 0.000 0.285 382 N C -2.178 173.336 175.510 0.007 0.000 1.112 382 N CA -1.766 51.290 53.050 0.011 0.000 0.857 382 N CB 2.618 41.113 38.487 0.014 0.000 1.376 382 N HN -0.217 nan 8.380 nan 0.000 0.526 383 P HA -0.136 nan 4.420 nan 0.000 0.219 383 P C 1.514 178.808 177.300 -0.011 0.000 1.146 383 P CA 0.899 63.997 63.100 -0.002 0.000 0.808 383 P CB 0.353 32.057 31.700 0.007 0.000 0.779 384 V N -2.403 117.510 119.914 -0.002 0.000 2.407 384 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 384 V C 1.688 177.775 176.094 -0.012 0.000 1.055 384 V CA 2.063 64.361 62.300 -0.004 0.000 1.049 384 V CB -1.753 30.077 31.823 0.011 0.000 0.662 384 V HN 0.098 nan 8.190 nan 0.000 0.455 385 N N 0.466 119.162 118.700 -0.006 0.000 2.171 385 N HA -0.152 4.588 4.740 -0.000 0.000 0.184 385 N C 1.645 177.128 175.510 -0.045 0.000 1.021 385 N CA 1.412 54.459 53.050 -0.005 0.000 0.854 385 N CB -0.249 38.248 38.487 0.016 0.000 0.994 385 N HN 0.567 nan 8.380 nan 0.000 0.426 386 D N 1.117 121.484 120.400 -0.055 0.000 2.144 386 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 386 D C 1.983 178.209 176.300 -0.122 0.000 0.984 386 D CA 0.837 54.778 54.000 -0.098 0.000 0.834 386 D CB -0.080 40.676 40.800 -0.073 0.000 0.955 386 D HN 0.267 nan 8.370 nan 0.000 0.465 387 A N 1.464 124.229 122.820 -0.092 0.000 1.865 387 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 387 A C 2.032 179.525 177.584 -0.151 0.000 1.191 387 A CA 1.888 53.861 52.037 -0.107 0.000 0.623 387 A CB -0.921 18.033 19.000 -0.076 0.000 0.826 387 A HN 0.185 nan 8.150 nan 0.000 0.444 388 N N -0.021 118.602 118.700 -0.128 0.000 2.043 388 N HA -0.138 4.602 4.740 -0.000 0.000 0.193 388 N C 1.618 176.954 175.510 -0.291 0.000 1.037 388 N CA 1.781 54.730 53.050 -0.168 0.000 0.851 388 N CB -0.408 38.063 38.487 -0.026 0.000 1.027 388 N HN 0.479 nan 8.380 nan 0.000 0.422 389 L N 0.327 121.419 121.223 -0.219 0.000 2.046 389 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 389 L C 2.294 178.979 176.870 -0.308 0.000 1.077 389 L CA 0.868 55.547 54.840 -0.267 0.000 0.747 389 L CB -0.504 41.371 42.059 -0.305 0.000 0.896 389 L HN 0.286 nan 8.230 nan 0.000 0.432 390 L N -0.283 120.776 121.223 -0.272 0.000 1.994 390 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 390 L C 2.521 179.249 176.870 -0.236 0.000 1.071 390 L CA 1.742 56.441 54.840 -0.236 0.000 0.745 390 L CB -0.727 41.220 42.059 -0.187 0.000 0.892 390 L HN 0.304 nan 8.230 nan 0.000 0.431 391 G N -0.925 107.719 108.800 -0.260 0.000 2.446 391 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 391 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 391 G C 1.654 176.353 174.900 -0.334 0.000 1.168 391 G CA 0.843 45.779 45.100 -0.273 0.000 0.771 391 G HN 0.568 nan 8.290 nan 0.000 0.551 392 A N 0.517 123.019 122.820 -0.531 0.000 1.883 392 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 392 A C 2.203 179.611 177.584 -0.295 0.000 1.186 392 A CA 2.028 53.680 52.037 -0.641 0.000 0.624 392 A CB -0.432 17.941 19.000 -1.044 0.000 0.822 392 A HN 0.432 nan 8.150 nan 0.000 0.444 393 E N -0.408 119.648 120.200 -0.240 0.000 2.047 393 E HA -0.126 4.224 4.350 -0.000 0.000 0.191 393 E C 2.177 178.707 176.600 -0.116 0.000 0.987 393 E CA 1.629 57.940 56.400 -0.149 0.000 0.799 393 E CB -0.271 29.344 29.700 -0.141 0.000 0.752 393 E HN 0.620 nan 8.360 nan 0.000 0.449 394 V N -0.741 119.096 119.914 -0.130 0.000 2.759 394 V HA -0.163 3.957 4.120 -0.000 0.000 0.256 394 V C 2.130 178.179 176.094 -0.074 0.000 1.080 394 V CA 1.207 63.448 62.300 -0.097 0.000 1.101 394 V CB -0.602 31.157 31.823 -0.106 0.000 0.698 394 V HN 0.139 nan 8.190 nan 0.000 0.477 395 L N -0.722 120.451 121.223 -0.083 0.000 2.240 395 L HA 0.120 4.460 4.340 -0.000 0.000 0.211 395 L C 2.366 179.231 176.870 -0.009 0.000 1.106 395 L CA 1.343 56.158 54.840 -0.041 0.000 0.793 395 L CB -0.109 41.928 42.059 -0.038 0.000 0.927 395 L HN 0.302 nan 8.230 nan 0.000 0.446 396 I N -0.763 119.796 120.570 -0.018 0.000 3.339 396 I HA -0.098 4.072 4.170 -0.000 0.000 0.285 396 I C 1.413 177.527 176.117 -0.004 0.000 1.201 396 I CA 0.614 61.917 61.300 0.005 0.000 1.434 396 I CB 0.152 38.161 38.000 0.015 0.000 1.152 396 I HN 0.178 nan 8.210 nan 0.000 0.443 397 K N 0.758 121.144 120.400 -0.024 0.000 2.536 397 K HA 0.425 4.745 4.320 -0.000 0.000 0.203 397 K C 1.041 177.628 176.600 -0.022 0.000 1.063 397 K CA 0.371 56.645 56.287 -0.021 0.000 1.063 397 K CB 0.936 33.417 32.500 -0.032 0.000 0.843 397 K HN 0.132 nan 8.250 nan 0.000 0.521 398 G N 1.782 110.567 108.800 -0.025 0.000 2.200 398 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.267 398 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.267 398 G C 0.014 174.892 174.900 -0.036 0.000 0.993 398 G CA 0.908 45.992 45.100 -0.027 0.000 0.701 398 G HN 0.809 nan 8.290 nan 0.000 0.524 399 S N -2.525 113.148 115.700 -0.045 0.000 2.633 399 S HA 0.610 5.080 4.470 -0.000 0.000 0.271 399 S C -1.046 173.521 174.600 -0.055 0.000 1.112 399 S CA -0.253 57.916 58.200 -0.051 0.000 0.828 399 S CB 1.820 64.998 63.200 -0.036 0.000 1.086 399 S HN 0.880 nan 8.310 nan 0.000 0.461 400 K N 0.447 120.812 120.400 -0.059 0.000 2.164 400 K HA 0.660 4.980 4.320 -0.000 0.000 0.258 400 K C -1.336 175.257 176.600 -0.011 0.000 0.951 400 K CA -0.982 55.274 56.287 -0.052 0.000 0.844 400 K CB 1.257 33.702 32.500 -0.091 0.000 1.099 400 K HN 0.618 nan 8.250 nan 0.000 0.435 401 L N 4.005 125.251 121.223 0.038 0.000 2.313 401 L HA 0.197 4.537 4.340 -0.000 0.000 0.282 401 L C -0.426 176.506 176.870 0.104 0.000 1.092 401 L CA 0.384 55.270 54.840 0.076 0.000 0.831 401 L CB 1.015 43.151 42.059 0.129 0.000 1.159 401 L HN 0.760 nan 8.230 nan 0.000 0.442 402 S N 4.088 119.815 115.700 0.045 0.000 2.562 402 S HA 0.051 4.521 4.470 -0.000 0.000 0.281 402 S C 1.220 175.836 174.600 0.026 0.000 1.333 402 S CA -0.593 57.621 58.200 0.023 0.000 1.052 402 S CB 0.688 63.870 63.200 -0.030 0.000 0.884 402 S HN 0.725 nan 8.310 nan 0.000 0.506 403 L N 3.639 124.873 121.223 0.018 0.000 2.051 403 L HA 0.001 4.341 4.340 -0.000 0.000 0.214 403 L C 2.361 179.027 176.870 -0.340 0.000 1.076 403 L CA 2.511 57.293 54.840 -0.096 0.000 0.758 403 L CB -1.403 40.572 42.059 -0.139 0.000 0.890 403 L HN 0.995 nan 8.230 nan 0.000 0.433 404 G N -1.843 106.771 108.800 -0.310 0.000 2.422 404 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.218 404 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.218 404 G C 1.496 176.311 174.900 -0.142 0.000 1.140 404 G CA 0.390 45.302 45.100 -0.315 0.000 0.775 404 G HN 0.367 nan 8.290 nan 0.000 0.545 405 E N 0.644 120.794 120.200 -0.084 0.000 2.208 405 E HA 0.023 4.373 4.350 -0.000 0.000 0.193 405 E C 2.830 179.397 176.600 -0.055 0.000 0.988 405 E CA 0.799 57.172 56.400 -0.044 0.000 0.828 405 E CB -0.106 29.583 29.700 -0.018 0.000 0.763 405 E HN 0.358 nan 8.360 nan 0.000 0.478 406 A N 0.725 123.523 122.820 -0.036 0.000 1.855 406 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 406 A C 1.933 179.453 177.584 -0.106 0.000 1.191 406 A CA 0.949 52.905 52.037 -0.135 0.000 0.613 406 A CB -0.804 18.234 19.000 0.063 0.000 0.829 406 A HN 0.143 nan 8.150 nan 0.000 0.442 407 F N 0.679 120.500 119.950 -0.214 0.000 2.115 407 F HA -0.196 4.331 4.527 -0.000 0.000 0.300 407 F C 2.245 177.938 175.800 -0.178 0.000 1.092 407 F CA 1.525 59.419 58.000 -0.176 0.000 1.245 407 F CB -0.689 38.247 39.000 -0.106 0.000 0.995 407 F HN 0.219 nan 8.300 nan 0.000 0.481 408 K N 0.042 120.468 120.400 0.042 0.000 2.097 408 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 408 K C 2.059 178.603 176.600 -0.093 0.000 1.049 408 K CA 1.348 57.620 56.287 -0.025 0.000 0.933 408 K CB -0.167 32.317 32.500 -0.027 0.000 0.717 408 K HN 0.253 nan 8.250 nan 0.000 0.442 409 K N 0.615 120.905 120.400 -0.183 0.000 2.062 409 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 409 K C 2.139 178.584 176.600 -0.258 0.000 1.051 409 K CA 0.958 57.099 56.287 -0.244 0.000 0.941 409 K CB -0.067 32.187 32.500 -0.409 0.000 0.719 409 K HN 0.086 nan 8.250 nan 0.000 0.440 410 I N 1.714 122.078 120.570 -0.343 0.000 2.163 410 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 410 I C 1.724 177.742 176.117 -0.165 0.000 1.085 410 I CA 1.316 62.463 61.300 -0.255 0.000 1.347 410 I CB -0.303 37.525 38.000 -0.286 0.000 1.044 410 I HN 0.164 nan 8.210 nan 0.000 0.408 411 D N 0.922 121.235 120.400 -0.144 0.000 2.263 411 D HA -0.099 4.541 4.640 -0.000 0.000 0.208 411 D C 2.060 178.313 176.300 -0.078 0.000 0.971 411 D CA 1.246 55.184 54.000 -0.103 0.000 0.867 411 D CB 0.051 40.806 40.800 -0.075 0.000 0.929 411 D HN 0.361 nan 8.370 nan 0.000 0.492 412 A N 0.417 123.191 122.820 -0.077 0.000 2.167 412 A HA 0.032 4.352 4.320 -0.000 0.000 0.214 412 A C 1.218 178.773 177.584 -0.048 0.000 1.151 412 A CA -0.083 51.921 52.037 -0.054 0.000 0.735 412 A CB -0.285 18.686 19.000 -0.048 0.000 0.802 412 A HN 0.140 nan 8.150 nan 0.000 0.467 413 I N 2.256 122.791 120.570 -0.059 0.000 2.533 413 I HA 0.101 4.271 4.170 -0.000 0.000 0.284 413 I C 0.871 176.958 176.117 -0.049 0.000 1.109 413 I CA -0.053 61.216 61.300 -0.052 0.000 1.412 413 I CB 0.807 38.767 38.000 -0.066 0.000 1.396 413 I HN 0.283 nan 8.210 nan 0.000 0.543 414 T N 2.054 116.587 114.554 -0.036 0.000 2.936 414 T HA 0.315 4.665 4.350 -0.000 0.000 0.282 414 T C 1.092 175.774 174.700 -0.031 0.000 1.003 414 T CA -0.896 61.185 62.100 -0.032 0.000 1.005 414 T CB 1.922 70.777 68.868 -0.022 0.000 1.097 414 T HN 0.232 nan 8.240 nan 0.000 0.532 415 V N 1.052 120.949 119.914 -0.028 0.000 2.407 415 V HA -0.130 3.990 4.120 -0.000 0.000 0.248 415 V C 2.824 178.910 176.094 -0.013 0.000 1.055 415 V CA 1.698 63.983 62.300 -0.025 0.000 1.049 415 V CB -0.787 31.021 31.823 -0.024 0.000 0.662 415 V HN 0.873 nan 8.190 nan 0.000 0.455 416 K N -0.384 120.009 120.400 -0.012 0.000 2.152 416 K HA -0.204 4.116 4.320 -0.000 0.000 0.206 416 K C 1.847 178.453 176.600 0.009 0.000 1.048 416 K CA 1.652 57.935 56.287 -0.006 0.000 0.933 416 K CB -0.229 32.267 32.500 -0.007 0.000 0.721 416 K HN 0.521 nan 8.250 nan 0.000 0.447 417 D N 0.231 120.636 120.400 0.009 0.000 2.084 417 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 417 D C 2.006 178.341 176.300 0.058 0.000 0.985 417 D CA 0.966 54.982 54.000 0.027 0.000 0.826 417 D CB -0.411 40.390 40.800 0.002 0.000 0.978 417 D HN -0.068 nan 8.370 nan 0.000 0.456 418 V N 1.431 121.361 119.914 0.026 0.000 2.287 418 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 418 V C 2.354 178.527 176.094 0.131 0.000 1.053 418 V CA 1.687 64.023 62.300 0.060 0.000 1.027 418 V CB -0.441 31.382 31.823 0.000 0.000 0.646 418 V HN 0.193 nan 8.190 nan 0.000 0.447 419 K N 0.071 120.507 120.400 0.059 0.000 2.097 419 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 419 K C 2.259 178.868 176.600 0.016 0.000 1.049 419 K CA 1.469 57.771 56.287 0.025 0.000 0.933 419 K CB -0.357 32.134 32.500 -0.015 0.000 0.717 419 K HN 0.507 nan 8.250 nan 0.000 0.442 420 A N 0.451 123.297 122.820 0.044 0.000 1.929 420 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 420 A C 1.885 179.506 177.584 0.062 0.000 1.176 420 A CA 0.852 52.908 52.037 0.032 0.000 0.628 420 A CB -0.693 18.333 19.000 0.043 0.000 0.816 420 A HN 0.573 nan 8.150 nan 0.000 0.444 421 W N 0.808 122.063 121.300 -0.074 0.000 2.378 421 W HA -0.078 4.582 4.660 0.000 0.000 0.313 421 W C 2.373 178.816 176.519 -0.127 0.000 1.197 421 W CA 2.192 59.481 57.345 -0.094 0.000 1.304 421 W CB -0.255 29.139 29.460 -0.110 0.000 1.148 421 W HN 0.312 nan 8.180 nan 0.000 0.494 422 A N 0.704 123.483 122.820 -0.068 0.000 1.933 422 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 422 A C 2.185 179.625 177.584 -0.239 0.000 1.175 422 A CA 1.869 53.715 52.037 -0.318 0.000 0.628 422 A CB -1.735 17.255 19.000 -0.016 0.000 0.814 422 A HN 0.464 nan 8.150 nan 0.000 0.444 423 G N -1.329 107.388 108.800 -0.138 0.000 2.535 423 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.218 423 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.218 423 G C 1.539 176.379 174.900 -0.100 0.000 1.122 423 G CA 1.368 46.401 45.100 -0.111 0.000 0.769 423 G HN 0.489 nan 8.290 nan 0.000 0.549 424 K N -0.848 119.431 120.400 -0.202 0.000 2.329 424 K HA 0.310 4.630 4.320 -0.000 0.000 0.198 424 K C 2.337 178.761 176.600 -0.293 0.000 1.085 424 K CA 0.223 56.391 56.287 -0.199 0.000 0.961 424 K CB 0.221 32.611 32.500 -0.183 0.000 0.971 424 K HN -0.014 nan 8.250 nan 0.000 0.502 425 R N -0.803 119.358 120.500 -0.565 0.000 2.206 425 R HA 0.279 4.619 4.340 -0.000 0.000 0.198 425 R C 1.183 177.183 176.300 -0.500 0.000 0.986 425 R CA 0.579 56.293 56.100 -0.643 0.000 1.029 425 R CB 0.174 29.771 30.300 -1.172 0.000 0.966 425 R HN 0.047 nan 8.270 nan 0.000 0.487 426 L N -1.798 119.155 121.223 -0.451 0.000 2.445 426 L HA 0.218 4.558 4.340 -0.000 0.000 0.207 426 L C 0.166 177.031 176.870 -0.008 0.000 1.053 426 L CA 0.312 55.019 54.840 -0.222 0.000 0.841 426 L CB -0.321 41.580 42.059 -0.263 0.000 1.074 426 L HN 0.174 nan 8.230 nan 0.000 0.479 427 W N 2.678 123.885 121.300 -0.155 0.000 2.565 427 W HA 0.031 4.691 4.660 -0.000 0.000 0.325 427 W C 0.307 176.788 176.519 -0.064 0.000 1.408 427 W CA 0.429 57.724 57.345 -0.083 0.000 1.350 427 W CB 0.252 29.667 29.460 -0.075 0.000 1.426 427 W HN 0.366 nan 8.180 nan 0.000 0.538 428 D N 3.225 123.418 120.400 -0.345 0.000 2.697 428 D HA -0.212 4.428 4.640 -0.000 0.000 0.238 428 D C -0.623 175.633 176.300 -0.074 0.000 1.152 428 D CA 1.093 54.945 54.000 -0.246 0.000 0.666 428 D CB -0.647 40.026 40.800 -0.212 0.000 1.037 428 D HN 0.360 nan 8.370 nan 0.000 0.423 429 Q N 0.517 120.283 119.800 -0.057 0.000 2.377 429 Q HA 0.350 4.690 4.340 -0.000 0.000 0.271 429 Q C -0.048 175.977 176.000 0.041 0.000 1.077 429 Q CA -0.689 55.109 55.803 -0.008 0.000 0.820 429 Q CB 1.387 30.097 28.738 -0.045 0.000 1.347 429 Q HN 0.208 nan 8.270 nan 0.000 0.444 430 D N 1.640 122.112 120.400 0.121 0.000 2.390 430 D HA 0.211 4.851 4.640 -0.000 0.000 0.236 430 D C 0.408 176.890 176.300 0.303 0.000 1.189 430 D CA 0.412 54.559 54.000 0.244 0.000 0.887 430 D CB 0.657 41.655 40.800 0.331 0.000 1.198 430 D HN 0.443 nan 8.370 nan 0.000 0.444 431 I N -3.075 117.714 120.570 0.366 0.000 3.239 431 I HA 0.787 4.957 4.170 -0.000 0.000 0.314 431 I C -1.275 175.118 176.117 0.460 0.000 1.126 431 I CA -1.267 60.264 61.300 0.385 0.000 0.973 431 I CB 2.210 40.320 38.000 0.184 0.000 1.252 431 I HN 0.289 nan 8.210 nan 0.000 0.463 432 A N 3.184 126.249 122.820 0.409 0.000 2.371 432 A HA 0.899 5.219 4.320 -0.000 0.000 0.311 432 A C -0.907 176.804 177.584 0.211 0.000 1.068 432 A CA -0.623 51.557 52.037 0.238 0.000 0.744 432 A CB 1.303 20.375 19.000 0.120 0.000 1.239 432 A HN 0.690 nan 8.150 nan 0.000 0.435 433 I N 0.472 121.143 120.570 0.168 0.000 2.934 433 I HA 0.805 4.975 4.170 -0.000 0.000 0.306 433 I C 0.033 176.206 176.117 0.092 0.000 1.110 433 I CA -0.794 60.585 61.300 0.131 0.000 1.019 433 I CB 2.471 40.549 38.000 0.131 0.000 1.227 433 I HN 0.846 nan 8.210 nan 0.000 0.434 434 A N 2.572 125.437 122.820 0.075 0.000 2.555 434 A HA 0.882 5.202 4.320 -0.000 0.000 0.297 434 A C -0.881 176.732 177.584 0.050 0.000 1.060 434 A CA -0.259 51.813 52.037 0.058 0.000 0.710 434 A CB 1.738 20.792 19.000 0.089 0.000 1.282 434 A HN 1.019 nan 8.150 nan 0.000 0.399 435 G N -0.572 108.242 108.800 0.025 0.000 2.646 435 G HA2 0.794 4.754 3.960 -0.000 0.000 0.291 435 G HA3 0.794 4.754 3.960 -0.000 0.000 0.291 435 G C -0.984 173.931 174.900 0.026 0.000 1.445 435 G CA 0.326 45.456 45.100 0.050 0.000 0.814 435 G HN 1.429 nan 8.290 nan 0.000 0.495 436 T N -1.698 112.910 114.554 0.089 0.000 2.843 436 T HA 0.838 5.188 4.350 -0.000 0.000 0.302 436 T C 0.453 175.250 174.700 0.162 0.000 1.232 436 T CA 1.331 63.464 62.100 0.054 0.000 1.009 436 T CB 1.220 70.070 68.868 -0.030 0.000 1.254 436 T HN 2.706 nan 8.240 nan 0.000 0.504 437 G N 1.758 110.613 108.800 0.092 0.000 2.545 437 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.216 437 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.216 437 G C -0.537 174.389 174.900 0.043 0.000 1.314 437 G CA -0.148 45.028 45.100 0.126 0.000 0.906 437 G HN 0.892 nan 8.290 nan 0.000 0.563 438 Q N 0.865 120.672 119.800 0.011 0.000 3.107 438 Q HA 0.269 4.609 4.340 -0.000 0.000 0.268 438 Q C 1.427 177.414 176.000 -0.021 0.000 1.382 438 Q CA 0.517 56.311 55.803 -0.015 0.000 0.927 438 Q CB -0.565 28.154 28.738 -0.032 0.000 1.755 438 Q HN 0.666 nan 8.270 nan 0.000 0.545 439 I N -2.598 117.967 120.570 -0.009 0.000 3.864 439 I HA 0.100 4.270 4.170 -0.000 0.000 0.326 439 I C 1.404 177.511 176.117 -0.017 0.000 1.444 439 I CA -0.058 61.235 61.300 -0.012 0.000 1.195 439 I CB -0.067 37.934 38.000 0.001 0.000 1.124 439 I HN 0.296 nan 8.210 nan 0.000 0.407 440 E N 2.384 122.572 120.200 -0.020 0.000 2.110 440 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 440 E C 2.195 178.778 176.600 -0.028 0.000 0.988 440 E CA 1.365 57.752 56.400 -0.022 0.000 0.804 440 E CB -0.081 29.606 29.700 -0.022 0.000 0.745 440 E HN 0.670 nan 8.360 nan 0.000 0.458 441 G N 0.961 109.742 108.800 -0.033 0.000 2.598 441 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.215 441 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.215 441 G C 0.579 175.452 174.900 -0.045 0.000 1.131 441 G CA -0.154 44.921 45.100 -0.042 0.000 0.785 441 G HN 0.224 nan 8.290 nan 0.000 0.539 442 L N 1.986 123.188 121.223 -0.035 0.000 2.407 442 L HA 0.377 4.717 4.340 -0.000 0.000 0.282 442 L C 0.173 177.022 176.870 -0.034 0.000 1.110 442 L CA -0.761 54.059 54.840 -0.033 0.000 0.863 442 L CB 0.196 42.244 42.059 -0.019 0.000 1.207 442 L HN -0.146 nan 8.230 nan 0.000 0.454 443 L N 4.028 125.222 121.223 -0.049 0.000 2.456 443 L HA 0.040 4.380 4.340 -0.000 0.000 0.266 443 L C 0.805 177.659 176.870 -0.027 0.000 1.258 443 L CA 0.307 55.118 54.840 -0.048 0.000 0.823 443 L CB -0.248 41.767 42.059 -0.074 0.000 1.100 443 L HN 0.774 nan 8.230 nan 0.000 0.531 444 D N -0.875 119.515 120.400 -0.018 0.000 2.354 444 D HA -0.156 4.484 4.640 -0.000 0.000 0.238 444 D C 1.019 177.343 176.300 0.041 0.000 1.250 444 D CA -0.153 53.860 54.000 0.022 0.000 0.911 444 D CB 0.296 41.108 40.800 0.020 0.000 1.163 444 D HN 0.513 nan 8.370 nan 0.000 0.456 445 Y N 0.278 120.561 120.300 -0.029 0.000 2.070 445 Y HA -0.251 4.299 4.550 -0.000 0.000 0.280 445 Y C 2.568 178.451 175.900 -0.028 0.000 1.148 445 Y CA 1.870 59.956 58.100 -0.023 0.000 1.125 445 Y CB -0.114 38.335 38.460 -0.018 0.000 0.975 445 Y HN 0.165 nan 8.280 nan 0.000 0.492 446 M N -0.016 119.651 119.600 0.112 0.000 2.267 446 M HA -0.226 4.254 4.480 -0.000 0.000 0.263 446 M C 2.040 178.286 176.300 -0.090 0.000 1.063 446 M CA 1.416 56.724 55.300 0.013 0.000 1.090 446 M CB -1.005 31.629 32.600 0.057 0.000 1.392 446 M HN 0.261 nan 8.290 nan 0.000 0.422 447 R N 0.430 120.874 120.500 -0.094 0.000 2.057 447 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 447 R C 2.095 178.300 176.300 -0.158 0.000 1.136 447 R CA 1.133 57.163 56.100 -0.115 0.000 0.952 447 R CB -0.726 29.513 30.300 -0.102 0.000 0.848 447 R HN 0.320 nan 8.270 nan 0.000 0.430 448 I N 0.655 121.108 120.570 -0.195 0.000 2.179 448 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 448 I C 2.401 178.351 176.117 -0.278 0.000 1.088 448 I CA 1.121 62.283 61.300 -0.229 0.000 1.357 448 I CB -1.127 36.723 38.000 -0.250 0.000 1.051 448 I HN 0.063 nan 8.210 nan 0.000 0.409 449 R N 1.657 121.920 120.500 -0.394 0.000 2.117 449 R HA -0.126 4.214 4.340 -0.000 0.000 0.243 449 R C 2.332 178.501 176.300 -0.218 0.000 1.143 449 R CA 1.993 57.879 56.100 -0.357 0.000 0.968 449 R CB -0.810 29.232 30.300 -0.429 0.000 0.863 449 R HN 0.245 nan 8.270 nan 0.000 0.444 450 S N 0.544 116.134 115.700 -0.184 0.000 2.399 450 S HA -0.090 4.380 4.470 -0.000 0.000 0.231 450 S C 0.954 175.442 174.600 -0.186 0.000 1.022 450 S CA 1.319 59.423 58.200 -0.160 0.000 0.983 450 S CB -0.272 62.854 63.200 -0.124 0.000 0.803 450 S HN 0.390 nan 8.310 nan 0.000 0.480 451 D N 0.945 121.237 120.400 -0.180 0.000 2.378 451 D HA 0.048 4.687 4.640 -0.000 0.000 0.227 451 D C 0.887 177.044 176.300 -0.238 0.000 1.012 451 D CA 0.399 54.291 54.000 -0.180 0.000 0.905 451 D CB -0.074 40.639 40.800 -0.146 0.000 0.895 451 D HN 0.271 nan 8.370 nan 0.000 0.532 452 M N 0.096 119.540 119.600 -0.259 0.000 2.691 452 M HA 0.060 4.540 4.480 -0.000 0.000 0.227 452 M C 0.419 176.385 176.300 -0.557 0.000 1.120 452 M CA 0.202 55.336 55.300 -0.276 0.000 1.034 452 M CB -1.066 31.416 32.600 -0.196 0.000 1.675 452 M HN -0.102 nan 8.290 nan 0.000 0.514 453 S N -1.112 114.201 115.700 -0.644 0.000 2.727 453 S HA 0.825 5.295 4.470 -0.000 0.000 0.278 453 S C -0.660 173.586 174.600 -0.590 0.000 1.186 453 S CA -1.076 56.430 58.200 -1.157 0.000 0.836 453 S CB 2.419 64.915 63.200 -1.174 0.000 1.186 453 S HN 0.218 nan 8.310 nan 0.000 0.499 454 M N 0.999 120.351 119.600 -0.413 0.000 2.550 454 M HA 0.478 4.958 4.480 -0.000 0.000 0.292 454 M C -1.032 175.324 176.300 0.094 0.000 1.221 454 M CA -0.775 54.518 55.300 -0.012 0.000 0.873 454 M CB 2.206 34.921 32.600 0.191 0.000 1.727 454 M HN 0.545 nan 8.290 nan 0.000 0.459 455 M N 2.267 121.912 119.600 0.076 0.000 2.241 455 M HA 0.466 4.946 4.480 -0.000 0.000 0.335 455 M C -0.202 176.180 176.300 0.137 0.000 1.122 455 M CA 0.390 55.741 55.300 0.085 0.000 1.164 455 M CB 0.399 33.033 32.600 0.056 0.000 1.459 455 M HN 0.702 nan 8.290 nan 0.000 0.461 456 R N 0.722 121.304 120.500 0.135 0.000 2.716 456 R HA 0.459 4.799 4.340 -0.000 0.000 0.271 456 R C -1.208 175.196 176.300 0.174 0.000 1.028 456 R CA -0.973 55.229 56.100 0.169 0.000 0.883 456 R CB 1.532 31.934 30.300 0.171 0.000 1.250 456 R HN 0.713 nan 8.270 nan 0.000 0.465 457 W N 0.000 121.322 121.300 0.037 0.000 2.388 457 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 457 W CA 0.000 57.360 57.345 0.026 0.000 1.226 457 W CB 0.000 29.471 29.460 0.018 0.000 1.126 457 W HN 0.000 nan 8.180 nan 0.000 0.535