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 1h2r_1_L DATA FIRST_RESID 19 DATA SEQUENCE SSYSGPIVVD PVTRIEGHLR IEVEVENGKV KNAYSSSTLF RGLEIILKGR DATA SEQUENCE DPRDAQHFTQ RTCGVCTYTH ALASTRCVDN AVGVHIPKNA TYIRNLVLGA DATA SEQUENCE QYLHDHIVHF YHLHALDFVD VTAALKADPA KAAKVASSIS PRKTTAADLK DATA SEQUENCE AVQDKLKTFV ETGQLGPFTN AYFLGGHPAY YLDPETNLIA TAHYLEALRL DATA SEQUENCE QVKAARAMAV FGAKNPHTQF TVVGGVTCYD ALTPQRIAEF EALWKETKAF DATA SEQUENCE VDEVYIPDLL VVAAAYKDWT QYGGTDNFIT FGEFPKDEYD LNSRFFKPGV DATA SEQUENCE VFKRDFKNIK PFDKMQIEEH VRHSWYEGAE ARHPWKGQTQ PKYTDLHGDD DATA SEQUENCE RYSWMKAPRY MGEPMETGPL AQVLIAYSQG HPKVKAVTDA VLAKLGVGPE DATA SEQUENCE ALFSTLGRTA ARGIETAVIA EYVGVMLQEY KDNIAKGDNV ICAPWEMPKQ DATA SEQUENCE AEGVGFVNAP RGGLSHWIRI EDGKIGNFQL VVPSTWTLGP RCDKNNVSPV DATA SEQUENCE EASLIGTPVA DAKRPVEILR TVHSFDPCIA CGVH 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.633 174.600 0.055 0.000 1.055 19 S CA 0.000 58.222 58.200 0.036 0.000 1.107 19 S CB 0.000 63.217 63.200 0.029 0.000 0.593 20 S N 2.797 118.523 115.700 0.043 0.000 2.546 20 S HA 0.311 4.781 4.470 0.000 0.000 0.290 20 S C -0.439 174.204 174.600 0.072 0.000 1.262 20 S CA -0.193 58.041 58.200 0.056 0.000 1.083 20 S CB -0.314 62.902 63.200 0.027 0.000 0.859 20 S HN 0.438 nan 8.310 nan 0.000 0.495 21 Y N 3.143 123.439 120.300 -0.007 0.000 2.411 21 Y HA 0.256 4.806 4.550 0.000 0.000 0.333 21 Y C 0.272 176.168 175.900 -0.007 0.000 1.186 21 Y CA 0.406 58.501 58.100 -0.007 0.000 1.381 21 Y CB 0.518 38.973 38.460 -0.008 0.000 1.273 21 Y HN 0.531 nan 8.280 nan 0.000 0.546 22 S N 3.586 118.743 115.700 -0.906 0.000 2.672 22 S HA 0.789 5.259 4.470 0.000 0.000 0.291 22 S C -0.486 173.527 174.600 -0.978 0.000 1.145 22 S CA -0.063 57.727 58.200 -0.683 0.000 1.013 22 S CB 1.245 64.254 63.200 -0.318 0.000 1.017 22 S HN 1.270 nan 8.310 nan 0.000 0.487 23 G N 3.679 112.096 108.800 -0.639 0.000 2.359 23 G HA2 0.291 4.251 3.960 0.000 0.000 0.293 23 G HA3 0.291 4.251 3.960 0.000 0.000 0.293 23 G C -3.650 171.277 174.900 0.045 0.000 1.300 23 G CA -0.734 44.190 45.100 -0.293 0.000 0.888 23 G HN 0.449 nan 8.290 nan 0.000 0.541 24 P HA 0.707 nan 4.420 nan 0.000 0.282 24 P C -0.739 176.683 177.300 0.203 0.000 1.259 24 P CA -0.446 62.745 63.100 0.152 0.000 0.826 24 P CB 1.813 33.565 31.700 0.086 0.000 1.064 25 I N 0.842 121.497 120.570 0.143 0.000 2.569 25 I HA 0.328 4.498 4.170 0.000 0.000 0.290 25 I C -0.670 175.498 176.117 0.086 0.000 1.088 25 I CA -1.090 60.266 61.300 0.094 0.000 1.047 25 I CB 2.583 40.623 38.000 0.067 0.000 1.237 25 I HN -0.004 nan 8.210 nan 0.000 0.421 26 V N 6.319 126.278 119.914 0.075 0.000 2.588 26 V HA 0.433 4.553 4.120 0.000 0.000 0.304 26 V C -0.591 175.554 176.094 0.085 0.000 1.042 26 V CA -0.796 61.555 62.300 0.085 0.000 0.877 26 V CB 2.656 34.530 31.823 0.085 0.000 0.996 26 V HN 0.471 nan 8.190 nan 0.000 0.425 27 V N 3.973 123.944 119.914 0.095 0.000 2.357 27 V HA 0.711 4.831 4.120 0.000 0.000 0.281 27 V C -1.518 174.640 176.094 0.108 0.000 1.015 27 V CA -0.010 62.352 62.300 0.103 0.000 0.827 27 V CB 1.365 33.252 31.823 0.105 0.000 1.018 27 V HN 0.983 nan 8.190 nan 0.000 0.432 28 D N 7.342 127.807 120.400 0.108 0.000 2.616 28 D HA 0.530 5.170 4.640 0.000 0.000 0.238 28 D C -2.383 173.981 176.300 0.106 0.000 1.354 28 D CA -0.599 53.471 54.000 0.117 0.000 0.970 28 D CB 2.566 43.438 40.800 0.120 0.000 1.369 28 D HN 0.572 nan 8.370 nan 0.000 0.585 29 P HA 0.357 nan 4.420 nan 0.000 0.281 29 P C -0.614 176.752 177.300 0.110 0.000 1.249 29 P CA -0.602 62.575 63.100 0.129 0.000 0.810 29 P CB 1.316 33.102 31.700 0.144 0.000 1.008 30 V N 2.786 122.769 119.914 0.115 0.000 2.408 30 V HA 0.173 4.293 4.120 0.000 0.000 0.267 30 V C 1.196 177.361 176.094 0.119 0.000 1.047 30 V CA -0.072 62.288 62.300 0.099 0.000 0.937 30 V CB 0.511 32.386 31.823 0.087 0.000 0.999 30 V HN 0.892 nan 8.190 nan 0.000 0.472 31 T N 2.471 117.096 114.554 0.119 0.000 2.862 31 T HA 0.527 4.877 4.350 0.000 0.000 0.276 31 T C 0.537 175.362 174.700 0.209 0.000 0.974 31 T CA -0.743 61.426 62.100 0.115 0.000 0.966 31 T CB 0.550 69.450 68.868 0.053 0.000 1.072 31 T HN 0.611 nan 8.240 nan 0.000 0.538 32 R N -0.132 120.426 120.500 0.097 0.000 3.422 32 R HA -0.135 4.205 4.340 0.000 0.000 0.267 32 R C -0.177 176.125 176.300 0.003 0.000 1.074 32 R CA 0.859 56.956 56.100 -0.006 0.000 0.718 32 R CB -2.222 27.983 30.300 -0.159 0.000 1.157 32 R HN 0.806 nan 8.270 nan 0.000 0.440 33 I N -4.863 115.769 120.570 0.105 0.000 3.279 33 I HA 0.526 4.696 4.170 0.000 0.000 0.315 33 I C -0.532 175.633 176.117 0.080 0.000 1.225 33 I CA -1.229 60.155 61.300 0.140 0.000 0.947 33 I CB 2.077 40.196 38.000 0.199 0.000 1.293 33 I HN -0.209 nan 8.210 nan 0.000 0.468 34 E N 1.938 122.186 120.200 0.081 0.000 2.197 34 E HA 0.612 4.962 4.350 0.000 0.000 0.281 34 E C 0.027 176.630 176.600 0.006 0.000 0.995 34 E CA 0.763 57.187 56.400 0.039 0.000 0.808 34 E CB 1.267 31.007 29.700 0.066 0.000 1.093 34 E HN 1.095 nan 8.360 nan 0.000 0.394 35 G N 3.932 112.670 108.800 -0.103 0.000 2.660 35 G HA2 -0.188 3.772 3.960 0.000 0.000 0.247 35 G HA3 -0.188 3.772 3.960 0.000 0.000 0.247 35 G C -1.168 173.553 174.900 -0.298 0.000 1.328 35 G CA -0.501 44.477 45.100 -0.203 0.000 0.884 35 G HN 0.737 nan 8.290 nan 0.000 0.531 36 H N -0.429 118.709 119.070 0.114 0.000 2.661 36 H HA 0.656 5.212 4.556 0.000 0.000 0.290 36 H C 0.333 175.751 175.328 0.150 0.000 1.082 36 H CA -0.544 55.579 56.048 0.124 0.000 1.234 36 H CB 1.209 31.043 29.762 0.120 0.000 1.387 36 H HN 0.492 nan 8.280 nan 0.000 0.476 37 L N 3.307 124.661 121.223 0.219 0.000 2.346 37 L HA 0.546 4.886 4.340 0.000 0.000 0.276 37 L C -0.527 176.452 176.870 0.181 0.000 1.006 37 L CA -0.950 54.004 54.840 0.190 0.000 0.817 37 L CB 1.688 43.835 42.059 0.147 0.000 1.272 37 L HN 0.577 nan 8.230 nan 0.000 0.421 38 R N 5.441 126.050 120.500 0.182 0.000 2.439 38 R HA 0.513 4.853 4.340 0.000 0.000 0.310 38 R C -1.606 174.785 176.300 0.151 0.000 0.955 38 R CA -0.681 55.518 56.100 0.165 0.000 0.853 38 R CB 1.356 31.765 30.300 0.182 0.000 1.171 38 R HN 0.486 nan 8.270 nan 0.000 0.449 39 I N 3.862 124.509 120.570 0.129 0.000 2.354 39 I HA 0.311 4.481 4.170 0.000 0.000 0.292 39 I C -0.320 175.870 176.117 0.122 0.000 0.989 39 I CA -0.503 60.869 61.300 0.119 0.000 1.188 39 I CB 1.851 39.906 38.000 0.092 0.000 1.342 39 I HN 0.731 nan 8.210 nan 0.000 0.457 40 E N 5.604 125.890 120.200 0.144 0.000 2.199 40 E HA 0.583 4.933 4.350 0.000 0.000 0.265 40 E C -0.980 175.719 176.600 0.165 0.000 0.882 40 E CA -0.614 55.880 56.400 0.157 0.000 0.759 40 E CB 2.921 32.730 29.700 0.182 0.000 1.148 40 E HN 0.443 nan 8.360 nan 0.000 0.412 41 V N -0.397 119.592 119.914 0.126 0.000 3.040 41 V HA 0.576 4.696 4.120 0.000 0.000 0.312 41 V C -0.802 175.350 176.094 0.097 0.000 1.115 41 V CA -0.975 61.382 62.300 0.096 0.000 0.998 41 V CB 2.129 33.992 31.823 0.067 0.000 1.042 41 V HN 0.601 nan 8.190 nan 0.000 0.433 42 E N 1.448 121.690 120.200 0.069 0.000 2.145 42 E HA 0.597 4.947 4.350 0.000 0.000 0.270 42 E C -1.086 175.538 176.600 0.040 0.000 0.906 42 E CA -0.607 55.824 56.400 0.052 0.000 0.761 42 E CB 2.356 32.074 29.700 0.031 0.000 1.116 42 E HN 0.797 nan 8.360 nan 0.000 0.408 43 V N 2.586 122.534 119.914 0.056 0.000 2.513 43 V HA 0.453 4.573 4.120 0.000 0.000 0.299 43 V C -0.914 175.158 176.094 -0.037 0.000 1.035 43 V CA -0.378 61.953 62.300 0.052 0.000 0.889 43 V CB 1.685 33.613 31.823 0.175 0.000 0.988 43 V HN 0.792 nan 8.190 nan 0.000 0.440 44 E N 5.085 125.266 120.200 -0.032 0.000 2.244 44 E HA 0.392 4.742 4.350 0.000 0.000 0.260 44 E C -0.447 176.131 176.600 -0.038 0.000 0.884 44 E CA -0.584 55.779 56.400 -0.062 0.000 0.777 44 E CB 0.811 30.483 29.700 -0.047 0.000 1.197 44 E HN 0.873 nan 8.360 nan 0.000 0.416 45 N N 3.448 122.118 118.700 -0.051 0.000 2.738 45 N HA -0.219 4.521 4.740 0.000 0.000 0.249 45 N C 0.546 176.064 175.510 0.014 0.000 1.047 45 N CA 1.394 54.434 53.050 -0.018 0.000 0.707 45 N CB -1.218 37.259 38.487 -0.017 0.000 0.937 45 N HN 1.012 nan 8.380 nan 0.000 0.545 46 G N -1.226 107.603 108.800 0.049 0.000 2.184 46 G HA2 -0.352 3.608 3.960 0.000 0.000 0.264 46 G HA3 -0.352 3.608 3.960 0.000 0.000 0.264 46 G C -0.020 174.899 174.900 0.032 0.000 0.975 46 G CA 1.137 46.277 45.100 0.066 0.000 0.642 46 G HN 0.560 nan 8.290 nan 0.000 0.536 47 K N -0.255 120.155 120.400 0.017 0.000 2.422 47 K HA 0.615 4.935 4.320 0.000 0.000 0.251 47 K C -0.045 176.557 176.600 0.003 0.000 0.933 47 K CA -1.029 55.252 56.287 -0.010 0.000 0.798 47 K CB 3.078 35.565 32.500 -0.021 0.000 1.238 47 K HN 0.025 nan 8.250 nan 0.000 0.428 48 V N 3.597 123.510 119.914 -0.002 0.000 2.585 48 V HA -0.018 4.102 4.120 0.000 0.000 0.296 48 V C 1.092 177.185 176.094 -0.003 0.000 1.035 48 V CA 0.442 62.748 62.300 0.009 0.000 1.084 48 V CB 0.530 32.361 31.823 0.013 0.000 0.953 48 V HN 0.861 nan 8.190 nan 0.000 0.483 49 K N 3.268 123.664 120.400 -0.007 0.000 2.412 49 K HA 0.295 4.615 4.320 0.000 0.000 0.202 49 K C 0.488 177.065 176.600 -0.039 0.000 1.102 49 K CA -0.113 56.163 56.287 -0.019 0.000 1.027 49 K CB 0.717 33.205 32.500 -0.019 0.000 0.931 49 K HN 0.611 nan 8.250 nan 0.000 0.557 50 N N -0.178 118.493 118.700 -0.047 0.000 2.504 50 N HA 0.476 5.216 4.740 0.000 0.000 0.268 50 N C -2.119 173.314 175.510 -0.128 0.000 1.184 50 N CA -0.591 52.393 53.050 -0.110 0.000 0.875 50 N CB 2.297 40.726 38.487 -0.098 0.000 1.630 50 N HN 0.199 nan 8.380 nan 0.000 0.486 51 A N 1.675 124.326 122.820 -0.282 0.000 2.572 51 A HA 0.698 5.018 4.320 0.000 0.000 0.295 51 A C -2.246 175.005 177.584 -0.555 0.000 1.072 51 A CA -0.340 51.551 52.037 -0.243 0.000 0.691 51 A CB 1.180 20.114 19.000 -0.111 0.000 1.291 51 A HN 0.596 nan 8.150 nan 0.000 0.404 52 Y N 0.076 120.317 120.300 -0.099 0.000 2.406 52 Y HA 0.602 5.152 4.550 0.000 0.000 0.340 52 Y C 0.449 176.337 175.900 -0.020 0.000 0.975 52 Y CA -0.410 57.574 58.100 -0.194 0.000 1.056 52 Y CB 2.689 40.908 38.460 -0.402 0.000 1.210 52 Y HN 0.578 nan 8.280 nan 0.000 0.448 53 S N 2.459 118.305 115.700 0.243 0.000 2.474 53 S HA 0.414 4.885 4.470 0.000 0.000 0.320 53 S C -0.718 174.056 174.600 0.290 0.000 1.067 53 S CA -0.375 57.952 58.200 0.211 0.000 1.127 53 S CB 0.202 63.474 63.200 0.121 0.000 0.971 53 S HN 0.569 nan 8.310 nan 0.000 0.472 54 S N 4.166 120.010 115.700 0.240 0.000 2.474 54 S HA 0.523 4.993 4.470 0.000 0.000 0.321 54 S C -0.427 174.295 174.600 0.202 0.000 1.080 54 S CA -0.545 57.777 58.200 0.204 0.000 1.106 54 S CB 0.629 63.956 63.200 0.212 0.000 0.984 54 S HN 0.613 nan 8.310 nan 0.000 0.464 55 S N 3.379 119.195 115.700 0.193 0.000 2.452 55 S HA 0.272 4.742 4.470 0.000 0.000 0.284 55 S C 1.143 176.033 174.600 0.483 0.000 1.171 55 S CA -0.567 57.809 58.200 0.293 0.000 1.064 55 S CB 1.113 64.472 63.200 0.266 0.000 0.967 55 S HN 0.881 nan 8.310 nan 0.000 0.484 56 T N 0.963 115.794 114.554 0.461 0.000 3.186 56 T HA 0.349 4.699 4.350 0.000 0.000 0.257 56 T C 0.132 175.081 174.700 0.415 0.000 1.029 56 T CA -0.263 62.150 62.100 0.521 0.000 0.916 56 T CB -0.217 68.856 68.868 0.341 0.000 1.041 56 T HN 0.442 nan 8.240 nan 0.000 0.562 57 L N 1.017 122.452 121.223 0.354 0.000 2.436 57 L HA 0.739 5.079 4.340 0.000 0.000 0.268 57 L C -2.057 174.791 176.870 -0.035 0.000 0.974 57 L CA -1.175 53.719 54.840 0.089 0.000 0.826 57 L CB 2.342 44.481 42.059 0.134 0.000 1.291 57 L HN 0.297 nan 8.230 nan 0.000 0.406 58 F N 4.592 124.208 119.950 -0.557 0.000 2.520 58 F HA 0.558 5.086 4.527 0.000 0.000 0.322 58 F C 0.378 175.949 175.800 -0.382 0.000 1.103 58 F CA -0.411 57.208 58.000 -0.634 0.000 0.926 58 F CB 1.776 39.891 39.000 -1.476 0.000 1.154 58 F HN 0.574 nan 8.300 nan 0.000 0.453 59 R N 2.494 122.405 120.500 -0.982 0.000 2.276 59 R HA 0.305 4.645 4.340 0.000 0.000 0.195 59 R C 0.596 176.359 176.300 -0.894 0.000 0.908 59 R CA 0.329 56.021 56.100 -0.679 0.000 1.083 59 R CB 0.527 30.624 30.300 -0.337 0.000 1.182 59 R HN 0.959 nan 8.270 nan 0.000 0.608 60 G N 1.812 109.821 108.800 -1.317 0.000 2.248 60 G HA2 -0.197 3.763 3.960 0.000 0.000 0.263 60 G HA3 -0.197 3.763 3.960 0.000 0.000 0.263 60 G C 0.377 175.137 174.900 -0.233 0.000 1.082 60 G CA -0.231 44.423 45.100 -0.744 0.000 0.863 60 G HN 0.041 nan 8.290 nan 0.000 0.495 61 L N 0.000 121.122 121.223 -0.168 0.000 2.127 61 L HA 0.023 4.363 4.340 0.000 0.000 0.211 61 L C 2.606 179.439 176.870 -0.061 0.000 1.089 61 L CA 2.569 57.364 54.840 -0.075 0.000 0.757 61 L CB -0.667 41.362 42.059 -0.050 0.000 0.899 61 L HN 0.610 nan 8.230 nan 0.000 0.434 62 E N -0.680 119.532 120.200 0.020 0.000 2.110 62 E HA -0.187 4.163 4.350 0.000 0.000 0.193 62 E C 2.302 178.923 176.600 0.036 0.000 0.988 62 E CA 1.046 57.483 56.400 0.060 0.000 0.804 62 E CB -0.114 29.673 29.700 0.145 0.000 0.745 62 E HN 0.464 nan 8.360 nan 0.000 0.458 63 I N 0.662 121.261 120.570 0.049 0.000 2.286 63 I HA -0.230 3.940 4.170 0.000 0.000 0.245 63 I C 2.229 178.339 176.117 -0.011 0.000 1.104 63 I CA 0.926 62.256 61.300 0.051 0.000 1.397 63 I CB -0.175 37.886 38.000 0.103 0.000 1.072 63 I HN 0.089 nan 8.210 nan 0.000 0.417 64 I N 0.194 120.735 120.570 -0.048 0.000 2.335 64 I HA -0.286 3.884 4.170 0.000 0.000 0.251 64 I C 2.287 178.267 176.117 -0.228 0.000 1.129 64 I CA 1.026 62.270 61.300 -0.094 0.000 1.402 64 I CB -0.199 37.769 38.000 -0.053 0.000 1.069 64 I HN 0.222 nan 8.210 nan 0.000 0.424 65 L N 0.759 121.816 121.223 -0.278 0.000 2.201 65 L HA -0.044 4.296 4.340 0.000 0.000 0.212 65 L C 1.071 177.817 176.870 -0.207 0.000 1.105 65 L CA 1.209 55.819 54.840 -0.384 0.000 0.775 65 L CB -0.891 40.947 42.059 -0.368 0.000 0.913 65 L HN 0.090 nan 8.230 nan 0.000 0.440 66 K N -0.266 120.078 120.400 -0.095 0.000 2.511 66 K HA 0.175 4.495 4.320 0.000 0.000 0.280 66 K C 1.216 177.791 176.600 -0.042 0.000 1.008 66 K CA 0.784 57.051 56.287 -0.034 0.000 1.050 66 K CB -0.206 32.294 32.500 -0.001 0.000 0.889 66 K HN 0.353 nan 8.250 nan 0.000 0.484 67 G N 2.605 111.395 108.800 -0.017 0.000 2.184 67 G HA2 -0.315 3.645 3.960 0.000 0.000 0.264 67 G HA3 -0.315 3.645 3.960 0.000 0.000 0.264 67 G C 0.135 175.022 174.900 -0.021 0.000 0.975 67 G CA 0.170 45.264 45.100 -0.011 0.000 0.642 67 G HN 0.596 nan 8.290 nan 0.000 0.536 68 R N 0.143 120.608 120.500 -0.058 0.000 2.541 68 R HA 0.454 4.794 4.340 0.000 0.000 0.263 68 R C -0.287 176.002 176.300 -0.019 0.000 1.112 68 R CA -0.550 55.512 56.100 -0.063 0.000 1.170 68 R CB 0.363 30.556 30.300 -0.178 0.000 1.167 68 R HN 0.183 nan 8.270 nan 0.000 0.582 69 D N 0.898 121.306 120.400 0.013 0.000 2.383 69 D HA 0.058 4.698 4.640 0.000 0.000 0.252 69 D C -1.715 174.619 176.300 0.056 0.000 1.166 69 D CA -2.107 51.928 54.000 0.057 0.000 0.879 69 D CB 1.308 42.159 40.800 0.085 0.000 1.164 69 D HN 0.098 nan 8.370 nan 0.000 0.462 70 P HA -0.112 nan 4.420 nan 0.000 0.217 70 P C 1.101 178.446 177.300 0.074 0.000 1.148 70 P CA 1.155 64.305 63.100 0.084 0.000 0.828 70 P CB 0.217 31.983 31.700 0.110 0.000 0.783 71 R N -0.668 119.907 120.500 0.125 0.000 2.152 71 R HA -0.112 4.228 4.340 0.000 0.000 0.232 71 R C 1.306 177.699 176.300 0.154 0.000 1.117 71 R CA 1.223 57.411 56.100 0.147 0.000 0.981 71 R CB -0.625 29.818 30.300 0.238 0.000 0.870 71 R HN 0.254 nan 8.270 nan 0.000 0.451 72 D N 0.300 120.796 120.400 0.159 0.000 2.317 72 D HA 0.011 4.651 4.640 0.000 0.000 0.211 72 D C 1.669 178.090 176.300 0.202 0.000 0.966 72 D CA 0.724 54.880 54.000 0.259 0.000 0.876 72 D CB -0.003 40.954 40.800 0.262 0.000 0.927 72 D HN 0.183 nan 8.370 nan 0.000 0.519 73 A N 1.632 124.436 122.820 -0.026 0.000 1.873 73 A HA -0.310 4.010 4.320 0.000 0.000 0.218 73 A C 2.170 179.662 177.584 -0.154 0.000 1.193 73 A CA 2.280 54.176 52.037 -0.235 0.000 0.629 73 A CB -0.904 17.818 19.000 -0.463 0.000 0.826 73 A HN 0.411 nan 8.150 nan 0.000 0.447 74 Q N -1.085 118.615 119.800 -0.167 0.000 2.181 74 Q HA -0.264 4.076 4.340 0.000 0.000 0.205 74 Q C 1.661 177.498 176.000 -0.272 0.000 0.980 74 Q CA 2.142 57.809 55.803 -0.227 0.000 0.862 74 Q CB -0.749 27.790 28.738 -0.331 0.000 0.905 74 Q HN 0.832 nan 8.270 nan 0.000 0.429 75 H N -0.863 118.222 119.070 0.025 0.000 2.395 75 H HA 0.019 4.575 4.556 0.000 0.000 0.299 75 H C 1.196 176.473 175.328 -0.085 0.000 1.070 75 H CA 1.516 57.541 56.048 -0.038 0.000 1.356 75 H CB 0.008 29.741 29.762 -0.048 0.000 1.401 75 H HN 0.203 nan 8.280 nan 0.000 0.524 76 F N 0.430 120.337 119.950 -0.072 0.000 2.128 76 F HA -0.173 4.354 4.527 0.000 0.000 0.295 76 F C 2.830 178.526 175.800 -0.173 0.000 1.100 76 F CA 1.555 59.481 58.000 -0.124 0.000 1.260 76 F CB -0.742 38.161 39.000 -0.162 0.000 1.009 76 F HN 0.206 nan 8.300 nan 0.000 0.476 77 T N -2.057 112.500 114.554 0.004 0.000 2.881 77 T HA -0.260 4.090 4.350 0.000 0.000 0.270 77 T C 1.854 176.516 174.700 -0.063 0.000 1.068 77 T CA 1.436 63.493 62.100 -0.072 0.000 1.131 77 T CB -0.625 68.228 68.868 -0.026 0.000 0.871 77 T HN 0.372 nan 8.240 nan 0.000 0.479 78 Q N 0.288 120.054 119.800 -0.058 0.000 2.170 78 Q HA -0.073 4.267 4.340 0.000 0.000 0.203 78 Q C 2.076 177.949 176.000 -0.211 0.000 0.976 78 Q CA 0.981 56.735 55.803 -0.083 0.000 0.858 78 Q CB -0.051 28.592 28.738 -0.159 0.000 0.907 78 Q HN 0.264 nan 8.270 nan 0.000 0.433 79 R N -0.346 120.003 120.500 -0.252 0.000 2.339 79 R HA 0.012 4.352 4.340 0.000 0.000 0.199 79 R C 1.665 177.927 176.300 -0.063 0.000 1.018 79 R CA 0.816 56.819 56.100 -0.161 0.000 1.036 79 R CB -0.567 29.653 30.300 -0.134 0.000 0.899 79 R HN 0.254 nan 8.270 nan 0.000 0.473 80 T N -1.194 113.266 114.554 -0.156 0.000 2.788 80 T HA -0.068 4.282 4.350 0.000 0.000 0.268 80 T C 0.694 175.351 174.700 -0.071 0.000 1.044 80 T CA 1.241 63.212 62.100 -0.215 0.000 1.139 80 T CB -0.070 68.389 68.868 -0.681 0.000 0.867 80 T HN 0.321 nan 8.240 nan 0.000 0.454 81 C N -0.067 119.253 119.300 0.034 0.000 3.006 81 C HA 0.651 5.111 4.460 0.000 0.000 0.359 81 C C 1.482 176.646 174.990 0.290 0.000 1.103 81 C CA -0.531 58.588 59.018 0.168 0.000 1.286 81 C CB 1.083 28.944 27.740 0.202 0.000 1.694 81 C HN 0.484 nan 8.230 nan 0.000 0.511 82 G N 2.479 111.391 108.800 0.186 0.000 2.796 82 G HA2 0.153 4.113 3.960 0.000 0.000 0.210 82 G HA3 0.153 4.113 3.960 0.000 0.000 0.210 82 G C 1.056 175.984 174.900 0.047 0.000 1.146 82 G CA 1.090 46.216 45.100 0.043 0.000 0.779 82 G HN 0.702 nan 8.290 nan 0.000 0.535 83 V N 1.315 121.286 119.914 0.096 0.000 2.273 83 V HA -0.089 4.031 4.120 0.000 0.000 0.242 83 V C 2.262 178.433 176.094 0.129 0.000 1.035 83 V CA 1.530 63.894 62.300 0.107 0.000 1.013 83 V CB -0.473 31.413 31.823 0.105 0.000 0.652 83 V HN 0.592 nan 8.190 nan 0.000 0.452 84 C N 0.159 119.543 119.300 0.139 0.000 2.874 84 C HA 0.367 4.827 4.460 0.000 0.000 0.523 84 C C 2.301 177.404 174.990 0.189 0.000 1.234 84 C CA -0.272 58.819 59.018 0.121 0.000 1.485 84 C CB -1.719 26.066 27.740 0.075 0.000 1.916 84 C HN 0.579 nan 8.230 nan 0.000 0.630 85 T N 1.158 115.838 114.554 0.210 0.000 2.536 85 T HA -0.344 4.006 4.350 0.000 0.000 0.263 85 T C 1.435 176.353 174.700 0.363 0.000 1.115 85 T CA 2.592 64.877 62.100 0.308 0.000 1.180 85 T CB -0.631 68.372 68.868 0.225 0.000 0.864 85 T HN 0.853 nan 8.240 nan 0.000 0.419 86 Y N 1.446 121.853 120.300 0.178 0.000 2.352 86 Y HA -0.096 4.454 4.550 0.000 0.000 0.292 86 Y C 2.661 178.607 175.900 0.077 0.000 1.136 86 Y CA 1.991 60.182 58.100 0.153 0.000 1.227 86 Y CB -0.677 37.892 38.460 0.183 0.000 0.991 86 Y HN 0.537 nan 8.280 nan 0.000 0.545 87 T N -1.978 112.508 114.554 -0.114 0.000 2.685 87 T HA -0.325 4.025 4.350 0.000 0.000 0.268 87 T C 1.619 176.075 174.700 -0.406 0.000 1.034 87 T CA 2.121 64.011 62.100 -0.349 0.000 1.149 87 T CB -0.916 67.785 68.868 -0.279 0.000 0.860 87 T HN 0.565 nan 8.240 nan 0.000 0.449 88 H N 1.235 120.230 119.070 -0.126 0.000 2.428 88 H HA 0.270 4.826 4.556 0.000 0.000 0.296 88 H C 2.841 178.088 175.328 -0.134 0.000 1.062 88 H CA 1.231 57.232 56.048 -0.078 0.000 1.350 88 H CB -0.540 29.286 29.762 0.107 0.000 1.403 88 H HN 0.599 nan 8.280 nan 0.000 0.533 89 A N 1.299 124.091 122.820 -0.046 0.000 1.902 89 A HA -0.137 4.183 4.320 0.000 0.000 0.217 89 A C 2.478 179.909 177.584 -0.255 0.000 1.181 89 A CA 1.204 53.168 52.037 -0.122 0.000 0.623 89 A CB -0.698 18.274 19.000 -0.046 0.000 0.818 89 A HN 0.271 nan 8.150 nan 0.000 0.443 90 L N -0.313 120.644 121.223 -0.443 0.000 2.056 90 L HA -0.028 4.312 4.340 0.000 0.000 0.207 90 L C 2.685 179.316 176.870 -0.399 0.000 1.078 90 L CA 2.141 56.687 54.840 -0.490 0.000 0.749 90 L CB -0.804 40.801 42.059 -0.756 0.000 0.901 90 L HN 0.341 nan 8.230 nan 0.000 0.433 91 A N -1.583 120.947 122.820 -0.483 0.000 1.877 91 A HA -0.189 4.131 4.320 0.000 0.000 0.216 91 A C 2.420 179.716 177.584 -0.480 0.000 1.186 91 A CA 2.034 53.699 52.037 -0.620 0.000 0.620 91 A CB -1.016 17.337 19.000 -1.079 0.000 0.822 91 A HN 0.499 nan 8.150 nan 0.000 0.443 92 S N -0.594 114.958 115.700 -0.247 0.000 2.368 92 S HA -0.117 4.353 4.470 0.000 0.000 0.225 92 S C 2.072 176.646 174.600 -0.042 0.000 1.030 92 S CA 1.794 60.082 58.200 0.146 0.000 0.999 92 S CB -0.474 62.863 63.200 0.227 0.000 0.844 92 S HN 0.714 nan 8.310 nan 0.000 0.459 93 T N 1.894 116.354 114.554 -0.156 0.000 2.777 93 T HA -0.029 4.321 4.350 0.000 0.000 0.266 93 T C 1.867 176.433 174.700 -0.224 0.000 1.040 93 T CA 0.968 62.952 62.100 -0.194 0.000 1.141 93 T CB -0.147 68.589 68.868 -0.219 0.000 0.868 93 T HN 0.324 nan 8.240 nan 0.000 0.444 94 R N 0.007 120.355 120.500 -0.252 0.000 2.120 94 R HA -0.031 4.309 4.340 0.000 0.000 0.234 94 R C 2.843 178.962 176.300 -0.303 0.000 1.123 94 R CA 1.106 57.037 56.100 -0.283 0.000 0.975 94 R CB -0.751 29.372 30.300 -0.295 0.000 0.866 94 R HN 0.413 nan 8.270 nan 0.000 0.446 95 C N 0.062 119.200 119.300 -0.271 0.000 2.453 95 C HA -0.037 4.423 4.460 0.000 0.000 0.277 95 C C 2.527 177.415 174.990 -0.170 0.000 1.262 95 C CA 0.622 59.490 59.018 -0.250 0.000 1.718 95 C CB -0.629 26.999 27.740 -0.186 0.000 2.031 95 C HN 0.272 nan 8.230 nan 0.000 0.480 96 V N 1.168 121.003 119.914 -0.132 0.000 2.453 96 V HA -0.112 4.008 4.120 0.000 0.000 0.247 96 V C 2.291 178.235 176.094 -0.250 0.000 1.048 96 V CA 2.300 64.508 62.300 -0.152 0.000 1.049 96 V CB -0.798 30.936 31.823 -0.149 0.000 0.672 96 V HN 0.487 nan 8.190 nan 0.000 0.457 97 D N 0.341 120.570 120.400 -0.285 0.000 2.116 97 D HA -0.211 4.429 4.640 0.000 0.000 0.193 97 D C 2.132 178.316 176.300 -0.194 0.000 0.998 97 D CA 1.591 55.420 54.000 -0.286 0.000 0.836 97 D CB -0.453 40.190 40.800 -0.262 0.000 0.951 97 D HN 0.459 nan 8.370 nan 0.000 0.449 98 N N 0.534 119.096 118.700 -0.230 0.000 2.058 98 N HA -0.166 4.574 4.740 0.000 0.000 0.191 98 N C 1.768 177.255 175.510 -0.038 0.000 1.037 98 N CA 1.603 54.540 53.050 -0.188 0.000 0.848 98 N CB -0.025 38.291 38.487 -0.285 0.000 1.021 98 N HN 0.080 nan 8.380 nan 0.000 0.422 99 A N 0.761 123.547 122.820 -0.057 0.000 1.940 99 A HA -0.067 4.253 4.320 0.000 0.000 0.219 99 A C 2.396 179.987 177.584 0.011 0.000 1.176 99 A CA 1.232 53.263 52.037 -0.010 0.000 0.631 99 A CB -0.679 18.314 19.000 -0.012 0.000 0.814 99 A HN 0.250 nan 8.150 nan 0.000 0.446 100 V N -1.098 118.802 119.914 -0.023 0.000 2.951 100 V HA 0.205 4.325 4.120 0.000 0.000 0.255 100 V C 1.761 177.909 176.094 0.089 0.000 1.088 100 V CA 1.323 63.637 62.300 0.023 0.000 1.109 100 V CB -0.523 31.215 31.823 -0.142 0.000 0.724 100 V HN 1.167 nan 8.190 nan 0.000 0.471 101 G N 0.825 109.683 108.800 0.097 0.000 2.160 101 G HA2 -0.195 3.765 3.960 0.000 0.000 0.244 101 G HA3 -0.195 3.765 3.960 0.000 0.000 0.244 101 G C 0.169 175.173 174.900 0.172 0.000 1.022 101 G CA 0.260 45.456 45.100 0.160 0.000 0.741 101 G HN 1.039 nan 8.290 nan 0.000 0.508 102 V N -2.318 117.669 119.914 0.122 0.000 2.644 102 V HA 0.717 4.837 4.120 0.000 0.000 0.295 102 V C 0.320 176.452 176.094 0.064 0.000 1.053 102 V CA -1.205 61.177 62.300 0.137 0.000 0.987 102 V CB 1.451 33.319 31.823 0.076 0.000 1.006 102 V HN 0.313 nan 8.190 nan 0.000 0.472 103 H N 5.028 124.167 119.070 0.114 0.000 2.718 103 H HA 0.433 4.989 4.556 0.000 0.000 0.295 103 H C 0.248 175.628 175.328 0.087 0.000 1.051 103 H CA -0.382 55.741 56.048 0.126 0.000 1.260 103 H CB 1.629 31.400 29.762 0.014 0.000 1.403 103 H HN 0.899 nan 8.280 nan 0.000 0.488 104 I N 1.096 121.738 120.570 0.119 0.000 2.993 104 I HA 0.250 4.420 4.170 0.000 0.000 0.286 104 I C -2.348 173.815 176.117 0.077 0.000 1.215 104 I CA -1.808 59.536 61.300 0.074 0.000 1.393 104 I CB 0.096 38.105 38.000 0.015 0.000 1.371 104 I HN 0.147 nan 8.210 nan 0.000 0.602 105 P HA 0.128 nan 4.420 nan 0.000 0.270 105 P C 0.029 177.355 177.300 0.042 0.000 1.223 105 P CA -0.336 62.801 63.100 0.062 0.000 0.785 105 P CB 0.562 32.300 31.700 0.064 0.000 0.923 106 K N 1.051 121.483 120.400 0.053 0.000 2.074 106 K HA -0.225 4.095 4.320 0.000 0.000 0.209 106 K C 1.472 178.128 176.600 0.093 0.000 1.048 106 K CA 2.107 58.413 56.287 0.031 0.000 0.926 106 K CB -0.388 32.179 32.500 0.111 0.000 0.713 106 K HN 0.466 nan 8.250 nan 0.000 0.444 107 N N 0.257 119.065 118.700 0.180 0.000 2.244 107 N HA -0.123 4.617 4.740 0.000 0.000 0.183 107 N C 1.754 177.297 175.510 0.056 0.000 1.016 107 N CA 0.735 53.922 53.050 0.229 0.000 0.866 107 N CB -0.054 38.557 38.487 0.207 0.000 0.980 107 N HN 0.187 nan 8.380 nan 0.000 0.430 108 A N 0.568 123.400 122.820 0.020 0.000 1.902 108 A HA -0.131 4.190 4.320 0.000 0.000 0.217 108 A C 2.296 179.871 177.584 -0.016 0.000 1.181 108 A CA 1.670 53.702 52.037 -0.008 0.000 0.623 108 A CB -0.983 18.015 19.000 -0.005 0.000 0.818 108 A HN 0.187 nan 8.150 nan 0.000 0.443 109 T N -1.192 113.332 114.554 -0.051 0.000 2.708 109 T HA -0.131 4.219 4.350 0.000 0.000 0.266 109 T C 1.766 176.409 174.700 -0.095 0.000 1.037 109 T CA 1.734 63.781 62.100 -0.089 0.000 1.146 109 T CB -0.439 68.329 68.868 -0.166 0.000 0.865 109 T HN 0.494 nan 8.240 nan 0.000 0.435 110 Y N 1.219 121.464 120.300 -0.092 0.000 2.097 110 Y HA -0.050 4.500 4.550 0.000 0.000 0.282 110 Y C 2.259 177.940 175.900 -0.364 0.000 1.152 110 Y CA 0.499 58.467 58.100 -0.220 0.000 1.136 110 Y CB -0.741 37.547 38.460 -0.286 0.000 0.975 110 Y HN 0.201 nan 8.280 nan 0.000 0.498 111 I N -0.533 119.865 120.570 -0.287 0.000 2.179 111 I HA -0.330 3.840 4.170 0.000 0.000 0.242 111 I C 2.458 178.562 176.117 -0.022 0.000 1.088 111 I CA 1.396 62.466 61.300 -0.383 0.000 1.357 111 I CB -0.426 37.335 38.000 -0.399 0.000 1.051 111 I HN 0.119 nan 8.210 nan 0.000 0.409 112 R N 0.703 121.296 120.500 0.155 0.000 2.081 112 R HA -0.154 4.186 4.340 0.000 0.000 0.235 112 R C 2.072 178.583 176.300 0.351 0.000 1.131 112 R CA 1.818 58.133 56.100 0.359 0.000 0.960 112 R CB -0.513 29.928 30.300 0.234 0.000 0.856 112 R HN 0.533 nan 8.270 nan 0.000 0.436 113 N N 0.368 119.212 118.700 0.240 0.000 2.106 113 N HA -0.123 4.617 4.740 0.000 0.000 0.188 113 N C 1.853 177.566 175.510 0.339 0.000 1.029 113 N CA 0.814 54.083 53.050 0.365 0.000 0.848 113 N CB -0.067 38.615 38.487 0.326 0.000 1.007 113 N HN 0.105 nan 8.380 nan 0.000 0.423 114 L N 0.754 122.041 121.223 0.107 0.000 2.083 114 L HA -0.146 4.194 4.340 0.000 0.000 0.209 114 L C 2.212 179.186 176.870 0.174 0.000 1.083 114 L CA 0.798 55.654 54.840 0.027 0.000 0.752 114 L CB -0.336 41.561 42.059 -0.270 0.000 0.899 114 L HN 0.065 nan 8.230 nan 0.000 0.433 115 V N -0.443 119.547 119.914 0.128 0.000 2.427 115 V HA -0.253 3.867 4.120 0.000 0.000 0.248 115 V C 2.296 178.537 176.094 0.245 0.000 1.051 115 V CA 1.322 63.653 62.300 0.052 0.000 1.048 115 V CB -0.331 31.293 31.823 -0.331 0.000 0.666 115 V HN 0.303 nan 8.190 nan 0.000 0.456 116 L N 1.445 122.972 121.223 0.507 0.000 2.093 116 L HA 0.030 4.370 4.340 0.000 0.000 0.208 116 L C 2.346 179.629 176.870 0.687 0.000 1.085 116 L CA 2.300 57.531 54.840 0.651 0.000 0.755 116 L CB -1.313 41.100 42.059 0.590 0.000 0.904 116 L HN 0.267 nan 8.230 nan 0.000 0.435 117 G N -1.057 108.142 108.800 0.667 0.000 2.418 117 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 117 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 117 G C 1.598 176.757 174.900 0.432 0.000 1.158 117 G CA 0.793 46.206 45.100 0.523 0.000 0.771 117 G HN 0.609 nan 8.290 nan 0.000 0.545 118 A N 0.246 123.290 122.820 0.373 0.000 1.930 118 A HA -0.063 4.257 4.320 0.000 0.000 0.217 118 A C 2.301 180.052 177.584 0.278 0.000 1.175 118 A CA 2.224 54.435 52.037 0.291 0.000 0.627 118 A CB -0.424 18.726 19.000 0.249 0.000 0.815 118 A HN 0.429 nan 8.150 nan 0.000 0.443 119 Q N -0.997 118.982 119.800 0.299 0.000 2.084 119 Q HA -0.195 4.145 4.340 0.000 0.000 0.202 119 Q C 1.665 177.795 176.000 0.217 0.000 0.978 119 Q CA 2.123 58.074 55.803 0.246 0.000 0.844 119 Q CB -0.688 28.205 28.738 0.258 0.000 0.898 119 Q HN 0.703 nan 8.270 nan 0.000 0.426 120 Y N 0.070 120.459 120.300 0.148 0.000 2.165 120 Y HA -0.210 4.340 4.550 0.000 0.000 0.286 120 Y C 1.984 177.873 175.900 -0.020 0.000 1.155 120 Y CA 1.694 59.787 58.100 -0.011 0.000 1.164 120 Y CB -0.073 38.465 38.460 0.130 0.000 0.978 120 Y HN 0.118 nan 8.280 nan 0.000 0.513 121 L N -1.413 120.000 121.223 0.317 0.000 2.027 121 L HA -0.242 4.098 4.340 0.000 0.000 0.206 121 L C 2.361 179.358 176.870 0.211 0.000 1.074 121 L CA 1.912 56.919 54.840 0.279 0.000 0.745 121 L CB -0.941 41.280 42.059 0.269 0.000 0.898 121 L HN 0.295 nan 8.230 nan 0.000 0.433 122 H N 0.150 119.290 119.070 0.115 0.000 2.293 122 H HA -0.213 4.343 4.556 0.000 0.000 0.300 122 H C 2.108 177.486 175.328 0.082 0.000 1.082 122 H CA 2.085 58.176 56.048 0.072 0.000 1.308 122 H CB -0.051 29.740 29.762 0.048 0.000 1.375 122 H HN 0.194 nan 8.280 nan 0.000 0.495 123 D N -0.528 119.921 120.400 0.081 0.000 2.092 123 D HA -0.184 4.456 4.640 0.000 0.000 0.193 123 D C 1.946 178.321 176.300 0.125 0.000 0.994 123 D CA 1.490 55.516 54.000 0.043 0.000 0.828 123 D CB -0.275 40.510 40.800 -0.024 0.000 0.963 123 D HN 0.519 nan 8.370 nan 0.000 0.450 124 H N 0.221 119.365 119.070 0.123 0.000 2.389 124 H HA 0.009 4.565 4.556 0.000 0.000 0.299 124 H C 2.415 177.744 175.328 0.003 0.000 1.081 124 H CA 0.489 56.627 56.048 0.150 0.000 1.345 124 H CB -0.456 29.466 29.762 0.267 0.000 1.393 124 H HN 0.276 nan 8.280 nan 0.000 0.520 125 I N -0.240 120.363 120.570 0.055 0.000 2.179 125 I HA -0.226 3.944 4.170 0.000 0.000 0.242 125 I C 2.321 178.396 176.117 -0.070 0.000 1.088 125 I CA 0.868 62.104 61.300 -0.106 0.000 1.357 125 I CB -0.224 37.776 38.000 -0.000 0.000 1.051 125 I HN 0.029 nan 8.210 nan 0.000 0.409 126 V N 0.316 120.177 119.914 -0.088 0.000 2.427 126 V HA -0.317 3.803 4.120 0.000 0.000 0.248 126 V C 2.459 178.541 176.094 -0.020 0.000 1.051 126 V CA 2.241 64.514 62.300 -0.045 0.000 1.048 126 V CB -0.892 30.880 31.823 -0.085 0.000 0.666 126 V HN 0.488 nan 8.190 nan 0.000 0.456 127 H N -0.421 118.646 119.070 -0.006 0.000 2.299 127 H HA -0.214 4.342 4.556 0.000 0.000 0.302 127 H C 2.021 177.355 175.328 0.010 0.000 1.078 127 H CA 2.340 58.403 56.048 0.026 0.000 1.323 127 H CB -0.353 29.466 29.762 0.095 0.000 1.381 127 H HN 0.373 nan 8.280 nan 0.000 0.498 128 F N -0.269 119.570 119.950 -0.185 0.000 2.069 128 F HA -0.282 4.245 4.527 0.000 0.000 0.298 128 F C 1.636 177.191 175.800 -0.409 0.000 1.113 128 F CA 1.713 59.524 58.000 -0.314 0.000 1.214 128 F CB -0.457 38.236 39.000 -0.511 0.000 0.978 128 F HN 0.187 nan 8.300 nan 0.000 0.474 129 Y N -0.605 119.455 120.300 -0.399 0.000 2.176 129 Y HA -0.119 4.431 4.550 0.000 0.000 0.291 129 Y C 2.581 178.220 175.900 -0.435 0.000 1.122 129 Y CA 2.155 59.947 58.100 -0.513 0.000 1.128 129 Y CB -1.077 37.010 38.460 -0.622 0.000 1.005 129 Y HN 0.158 nan 8.280 nan 0.000 0.509 130 H N -1.394 117.643 119.070 -0.055 0.000 2.482 130 H HA 0.102 4.659 4.556 0.000 0.000 0.286 130 H C 1.623 176.917 175.328 -0.056 0.000 1.017 130 H CA 1.002 56.995 56.048 -0.092 0.000 1.322 130 H CB 0.177 29.817 29.762 -0.203 0.000 1.426 130 H HN 0.221 nan 8.280 nan 0.000 0.546 131 L N -1.190 119.952 121.223 -0.135 0.000 2.445 131 L HA 0.057 4.397 4.340 0.000 0.000 0.207 131 L C 2.103 178.711 176.870 -0.436 0.000 1.053 131 L CA 0.347 55.018 54.840 -0.282 0.000 0.841 131 L CB -0.001 41.873 42.059 -0.308 0.000 1.074 131 L HN 0.273 nan 8.230 nan 0.000 0.479 132 H N 0.830 119.526 119.070 -0.623 0.000 2.344 132 H HA 0.163 4.719 4.556 0.000 0.000 0.307 132 H C 2.136 177.302 175.328 -0.270 0.000 1.057 132 H CA 1.085 56.854 56.048 -0.466 0.000 1.373 132 H CB 0.104 29.593 29.762 -0.456 0.000 1.421 132 H HN 0.166 nan 8.280 nan 0.000 0.532 133 A N 1.182 123.806 122.820 -0.326 0.000 1.971 133 A HA -0.183 4.137 4.320 0.000 0.000 0.222 133 A C 2.521 180.071 177.584 -0.056 0.000 1.182 133 A CA 1.688 53.540 52.037 -0.307 0.000 0.649 133 A CB -1.173 17.589 19.000 -0.397 0.000 0.818 133 A HN 0.459 nan 8.150 nan 0.000 0.458 134 L N -0.551 120.696 121.223 0.041 0.000 2.549 134 L HA -0.139 4.201 4.340 0.000 0.000 0.230 134 L C 1.143 178.138 176.870 0.209 0.000 1.162 134 L CA 0.757 55.697 54.840 0.165 0.000 0.834 134 L CB -0.425 41.790 42.059 0.260 0.000 0.947 134 L HN 0.313 nan 8.230 nan 0.000 0.452 135 D N -0.852 119.533 120.400 -0.025 0.000 2.323 135 D HA -0.031 4.609 4.640 0.000 0.000 0.209 135 D C 1.533 177.316 176.300 -0.860 0.000 0.973 135 D CA 1.051 54.851 54.000 -0.333 0.000 0.874 135 D CB 0.272 40.745 40.800 -0.545 0.000 0.930 135 D HN 0.296 nan 8.370 nan 0.000 0.521 136 F N -0.410 119.283 119.950 -0.429 0.000 2.778 136 F HA 0.160 4.687 4.527 0.000 0.000 0.314 136 F C 0.666 176.403 175.800 -0.106 0.000 1.073 136 F CA -0.156 57.489 58.000 -0.592 0.000 1.218 136 F CB 0.864 39.419 39.000 -0.742 0.000 1.037 136 F HN -0.333 nan 8.300 nan 0.000 0.594 137 V N 1.135 121.142 119.914 0.155 0.000 2.427 137 V HA 0.214 4.334 4.120 0.000 0.000 0.286 137 V C -0.736 175.200 176.094 -0.263 0.000 1.034 137 V CA -0.788 61.523 62.300 0.017 0.000 0.893 137 V CB 1.519 33.286 31.823 -0.093 0.000 0.982 137 V HN -0.030 nan 8.190 nan 0.000 0.452 138 D N 4.102 124.258 120.400 -0.407 0.000 2.456 138 D HA 0.214 4.854 4.640 0.000 0.000 0.219 138 D C 0.876 176.647 176.300 -0.881 0.000 1.126 138 D CA -0.159 53.221 54.000 -1.034 0.000 0.890 138 D CB 1.688 42.192 40.800 -0.493 0.000 1.025 138 D HN 0.224 nan 8.370 nan 0.000 0.511 139 V N 3.347 122.555 119.914 -1.177 0.000 2.392 139 V HA -0.276 3.844 4.120 0.000 0.000 0.249 139 V C 2.560 178.390 176.094 -0.440 0.000 1.059 139 V CA 2.518 64.389 62.300 -0.714 0.000 1.051 139 V CB -0.825 30.456 31.823 -0.902 0.000 0.658 139 V HN 0.730 nan 8.190 nan 0.000 0.455 140 T N -1.172 113.181 114.554 -0.336 0.000 2.915 140 T HA -0.084 4.266 4.350 0.000 0.000 0.269 140 T C 1.805 176.439 174.700 -0.109 0.000 1.071 140 T CA 1.211 63.242 62.100 -0.116 0.000 1.132 140 T CB -0.415 68.478 68.868 0.042 0.000 0.878 140 T HN 0.484 nan 8.240 nan 0.000 0.479 141 A N 1.266 123.990 122.820 -0.160 0.000 2.168 141 A HA 0.535 4.855 4.320 0.000 0.000 0.215 141 A C 2.596 180.126 177.584 -0.090 0.000 1.152 141 A CA 1.070 53.047 52.037 -0.101 0.000 0.716 141 A CB -0.968 17.974 19.000 -0.097 0.000 0.794 141 A HN 0.683 nan 8.150 nan 0.000 0.465 142 A N -0.760 121.987 122.820 -0.122 0.000 2.119 142 A HA 0.128 4.448 4.320 0.000 0.000 0.217 142 A C 1.753 179.299 177.584 -0.063 0.000 1.153 142 A CA 1.030 53.008 52.037 -0.098 0.000 0.692 142 A CB -0.323 18.600 19.000 -0.129 0.000 0.799 142 A HN 0.365 nan 8.150 nan 0.000 0.458 143 L N 0.124 121.315 121.223 -0.053 0.000 2.201 143 L HA -0.099 4.241 4.340 0.000 0.000 0.212 143 L C 2.111 178.971 176.870 -0.018 0.000 1.105 143 L CA 2.117 56.941 54.840 -0.026 0.000 0.775 143 L CB -0.487 41.565 42.059 -0.012 0.000 0.913 143 L HN 0.623 nan 8.230 nan 0.000 0.440 144 K N -1.253 119.135 120.400 -0.021 0.000 2.446 144 K HA 0.449 4.769 4.320 0.000 0.000 0.203 144 K C 0.605 177.196 176.600 -0.014 0.000 1.027 144 K CA 0.063 56.342 56.287 -0.013 0.000 1.166 144 K CB 0.132 32.627 32.500 -0.008 0.000 0.869 144 K HN 0.067 nan 8.250 nan 0.000 0.504 145 A N 1.571 124.378 122.820 -0.021 0.000 2.286 145 A HA 0.165 4.485 4.320 0.000 0.000 0.286 145 A C -0.740 176.835 177.584 -0.015 0.000 1.097 145 A CA -0.580 51.445 52.037 -0.020 0.000 0.821 145 A CB 0.533 19.515 19.000 -0.030 0.000 1.076 145 A HN 0.319 nan 8.150 nan 0.000 0.490 146 D N 1.506 121.898 120.400 -0.013 0.000 2.396 146 D HA 0.274 4.914 4.640 0.000 0.000 0.225 146 D C -1.618 174.675 176.300 -0.012 0.000 1.121 146 D CA -1.925 52.069 54.000 -0.010 0.000 0.853 146 D CB 1.304 42.100 40.800 -0.007 0.000 1.043 146 D HN 0.169 nan 8.370 nan 0.000 0.500 147 P HA -0.118 nan 4.420 nan 0.000 0.220 147 P C 1.061 178.356 177.300 -0.008 0.000 1.148 147 P CA 0.697 63.790 63.100 -0.012 0.000 0.803 147 P CB 0.329 32.023 31.700 -0.009 0.000 0.782 148 A N 0.386 123.202 122.820 -0.006 0.000 1.873 148 A HA -0.157 4.163 4.320 0.000 0.000 0.215 148 A C 2.304 179.886 177.584 -0.004 0.000 1.186 148 A CA 1.868 53.902 52.037 -0.004 0.000 0.616 148 A CB -0.950 18.049 19.000 -0.003 0.000 0.823 148 A HN 0.040 nan 8.150 nan 0.000 0.442 149 K N -0.014 120.382 120.400 -0.006 0.000 2.057 149 K HA 0.108 4.428 4.320 0.000 0.000 0.206 149 K C 2.121 178.716 176.600 -0.008 0.000 1.050 149 K CA 1.277 57.560 56.287 -0.006 0.000 0.935 149 K CB -0.517 31.979 32.500 -0.006 0.000 0.715 149 K HN 0.400 nan 8.250 nan 0.000 0.439 150 A N 0.566 123.379 122.820 -0.012 0.000 1.933 150 A HA -0.108 4.212 4.320 0.000 0.000 0.218 150 A C 2.303 179.880 177.584 -0.012 0.000 1.175 150 A CA 1.986 54.013 52.037 -0.017 0.000 0.628 150 A CB -0.864 18.120 19.000 -0.027 0.000 0.814 150 A HN 0.310 nan 8.150 nan 0.000 0.444 151 A N -0.210 122.606 122.820 -0.007 0.000 1.930 151 A HA -0.134 4.186 4.320 0.000 0.000 0.217 151 A C 2.095 179.681 177.584 0.003 0.000 1.175 151 A CA 1.717 53.754 52.037 0.000 0.000 0.627 151 A CB -0.384 18.618 19.000 0.002 0.000 0.815 151 A HN 0.554 nan 8.150 nan 0.000 0.443 152 K N -0.368 120.032 120.400 -0.000 0.000 2.009 152 K HA -0.102 4.218 4.320 0.000 0.000 0.210 152 K C 1.926 178.526 176.600 0.001 0.000 1.049 152 K CA 1.575 57.862 56.287 0.000 0.000 0.929 152 K CB -0.508 31.990 32.500 -0.002 0.000 0.714 152 K HN 0.299 nan 8.250 nan 0.000 0.440 153 V N 1.588 121.502 119.914 -0.000 0.000 2.255 153 V HA -0.302 3.818 4.120 0.000 0.000 0.247 153 V C 2.434 178.533 176.094 0.009 0.000 1.051 153 V CA 2.141 64.442 62.300 0.001 0.000 1.018 153 V CB -0.884 30.938 31.823 -0.002 0.000 0.641 153 V HN 0.403 nan 8.190 nan 0.000 0.445 154 A N -0.153 122.674 122.820 0.013 0.000 1.892 154 A HA -0.251 4.069 4.320 0.000 0.000 0.218 154 A C 2.433 180.037 177.584 0.033 0.000 1.188 154 A CA 2.530 54.589 52.037 0.036 0.000 0.631 154 A CB -0.836 18.188 19.000 0.041 0.000 0.822 154 A HN 0.534 nan 8.150 nan 0.000 0.447 155 S N 0.065 115.777 115.700 0.020 0.000 2.447 155 S HA -0.102 4.368 4.470 0.000 0.000 0.233 155 S C 2.168 176.770 174.600 0.003 0.000 1.006 155 S CA 1.368 59.574 58.200 0.011 0.000 0.957 155 S CB -0.299 62.905 63.200 0.007 0.000 0.773 155 S HN 0.903 nan 8.310 nan 0.000 0.507 156 S N 2.108 117.809 115.700 0.002 0.000 2.446 156 S HA 0.066 4.536 4.470 0.000 0.000 0.225 156 S C 1.724 176.320 174.600 -0.006 0.000 1.016 156 S CA 0.416 58.614 58.200 -0.003 0.000 0.943 156 S CB -0.675 62.523 63.200 -0.004 0.000 0.786 156 S HN 0.729 nan 8.310 nan 0.000 0.508 157 I N -1.043 119.526 120.570 -0.002 0.000 3.728 157 I HA 0.393 4.563 4.170 0.000 0.000 0.307 157 I C 0.460 176.567 176.117 -0.017 0.000 1.276 157 I CA -0.276 61.019 61.300 -0.008 0.000 1.285 157 I CB 0.239 38.240 38.000 0.002 0.000 1.038 157 I HN 0.264 nan 8.210 nan 0.000 0.445 158 S N 1.115 116.807 115.700 -0.014 0.000 2.546 158 S HA 0.512 4.982 4.470 0.000 0.000 0.274 158 S C -2.128 172.456 174.600 -0.027 0.000 1.121 158 S CA -1.079 57.103 58.200 -0.029 0.000 0.887 158 S CB 1.782 64.962 63.200 -0.034 0.000 1.094 158 S HN -0.016 nan 8.310 nan 0.000 0.474 159 P HA -0.043 nan 4.420 nan 0.000 0.226 159 P C 0.113 177.397 177.300 -0.027 0.000 1.153 159 P CA 0.334 63.416 63.100 -0.030 0.000 0.777 159 P CB 0.002 31.681 31.700 -0.035 0.000 0.794 160 R N 1.635 122.116 120.500 -0.033 0.000 2.248 160 R HA 0.164 4.504 4.340 0.000 0.000 0.337 160 R C -0.166 176.130 176.300 -0.007 0.000 1.085 160 R CA -0.267 55.817 56.100 -0.026 0.000 0.934 160 R CB 0.157 30.429 30.300 -0.045 0.000 1.034 160 R HN 0.019 nan 8.270 nan 0.000 0.465 161 K N 2.660 123.059 120.400 -0.002 0.000 2.297 161 K HA 0.101 4.421 4.320 0.000 0.000 0.286 161 K C 0.055 176.665 176.600 0.016 0.000 1.053 161 K CA -0.178 56.113 56.287 0.007 0.000 0.940 161 K CB 1.403 33.904 32.500 0.002 0.000 1.019 161 K HN 0.529 nan 8.250 nan 0.000 0.475 162 T N -0.324 114.246 114.554 0.026 0.000 2.856 162 T HA 0.376 4.726 4.350 0.000 0.000 0.283 162 T C 0.158 174.870 174.700 0.020 0.000 1.008 162 T CA -0.821 61.299 62.100 0.032 0.000 0.997 162 T CB 1.421 70.325 68.868 0.060 0.000 0.992 162 T HN 0.607 nan 8.240 nan 0.000 0.454 163 T N 0.567 115.131 114.554 0.016 0.000 2.912 163 T HA 0.663 5.013 4.350 0.000 0.000 0.280 163 T C 1.817 176.522 174.700 0.008 0.000 0.989 163 T CA -0.382 61.724 62.100 0.010 0.000 0.995 163 T CB 0.843 69.716 68.868 0.008 0.000 1.077 163 T HN 0.901 nan 8.240 nan 0.000 0.531 164 A N 0.725 123.548 122.820 0.004 0.000 1.908 164 A HA 0.162 4.482 4.320 0.000 0.000 0.218 164 A C 2.616 180.202 177.584 0.003 0.000 1.181 164 A CA 1.933 53.971 52.037 0.002 0.000 0.627 164 A CB -1.592 17.408 19.000 0.001 0.000 0.818 164 A HN 1.254 nan 8.150 nan 0.000 0.445 165 A N -0.014 122.809 122.820 0.005 0.000 1.902 165 A HA -0.209 4.111 4.320 0.000 0.000 0.217 165 A C 1.806 179.395 177.584 0.008 0.000 1.181 165 A CA 1.897 53.938 52.037 0.006 0.000 0.623 165 A CB -0.610 18.394 19.000 0.007 0.000 0.818 165 A HN 0.478 nan 8.150 nan 0.000 0.443 166 D N 0.093 120.500 120.400 0.011 0.000 2.104 166 D HA -0.139 4.501 4.640 0.000 0.000 0.194 166 D C 1.919 178.227 176.300 0.014 0.000 0.994 166 D CA 1.320 55.331 54.000 0.017 0.000 0.830 166 D CB -0.317 40.499 40.800 0.025 0.000 0.959 166 D HN 0.471 nan 8.370 nan 0.000 0.452 167 L N 0.378 121.604 121.223 0.006 0.000 2.240 167 L HA -0.057 4.283 4.340 0.000 0.000 0.211 167 L C 2.437 179.303 176.870 -0.007 0.000 1.106 167 L CA 0.638 55.475 54.840 -0.006 0.000 0.793 167 L CB -0.220 41.829 42.059 -0.017 0.000 0.927 167 L HN -0.028 nan 8.230 nan 0.000 0.446 168 K N 0.834 121.233 120.400 -0.002 0.000 2.097 168 K HA -0.155 4.165 4.320 0.000 0.000 0.205 168 K C 2.174 178.776 176.600 0.004 0.000 1.050 168 K CA 1.161 57.448 56.287 -0.000 0.000 0.938 168 K CB -0.027 32.474 32.500 0.002 0.000 0.718 168 K HN 0.236 nan 8.250 nan 0.000 0.442 169 A N 0.728 123.552 122.820 0.007 0.000 1.908 169 A HA -0.140 4.180 4.320 0.000 0.000 0.218 169 A C 2.209 179.800 177.584 0.011 0.000 1.181 169 A CA 1.822 53.865 52.037 0.011 0.000 0.627 169 A CB -0.685 18.324 19.000 0.014 0.000 0.818 169 A HN 0.181 nan 8.150 nan 0.000 0.445 170 V N -0.356 119.562 119.914 0.007 0.000 2.358 170 V HA -0.284 3.836 4.120 0.000 0.000 0.246 170 V C 2.637 178.729 176.094 -0.004 0.000 1.047 170 V CA 2.119 64.420 62.300 0.002 0.000 1.035 170 V CB -0.833 30.987 31.823 -0.005 0.000 0.658 170 V HN 0.621 nan 8.190 nan 0.000 0.452 171 Q N -0.415 119.381 119.800 -0.007 0.000 2.096 171 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 171 Q C 2.092 178.097 176.000 0.010 0.000 0.982 171 Q CA 1.886 57.685 55.803 -0.007 0.000 0.850 171 Q CB -0.192 28.541 28.738 -0.009 0.000 0.901 171 Q HN 0.651 nan 8.270 nan 0.000 0.422 172 D N 0.250 120.659 120.400 0.015 0.000 2.097 172 D HA -0.153 4.487 4.640 0.000 0.000 0.195 172 D C 1.761 178.085 176.300 0.040 0.000 0.989 172 D CA 1.124 55.139 54.000 0.025 0.000 0.827 172 D CB -0.076 40.736 40.800 0.021 0.000 0.966 172 D HN -0.004 nan 8.370 nan 0.000 0.456 173 K N 0.905 121.327 120.400 0.037 0.000 2.026 173 K HA -0.034 4.286 4.320 0.000 0.000 0.208 173 K C 2.145 178.794 176.600 0.082 0.000 1.048 173 K CA 0.601 56.920 56.287 0.053 0.000 0.929 173 K CB -0.625 31.894 32.500 0.032 0.000 0.713 173 K HN 0.095 nan 8.250 nan 0.000 0.439 174 L N 0.548 121.802 121.223 0.051 0.000 2.046 174 L HA -0.228 4.112 4.340 0.000 0.000 0.208 174 L C 2.429 179.382 176.870 0.138 0.000 1.077 174 L CA 1.699 56.580 54.840 0.068 0.000 0.747 174 L CB -0.361 41.695 42.059 -0.004 0.000 0.896 174 L HN 0.296 nan 8.230 nan 0.000 0.432 175 K N -0.831 119.621 120.400 0.087 0.000 2.009 175 K HA -0.201 4.119 4.320 0.000 0.000 0.210 175 K C 1.844 178.503 176.600 0.099 0.000 1.049 175 K CA 2.198 58.532 56.287 0.078 0.000 0.929 175 K CB -0.109 32.419 32.500 0.045 0.000 0.714 175 K HN 0.290 nan 8.250 nan 0.000 0.440 176 T N 0.818 115.435 114.554 0.105 0.000 2.720 176 T HA -0.171 4.179 4.350 0.000 0.000 0.268 176 T C 1.435 176.219 174.700 0.140 0.000 1.037 176 T CA 1.530 63.690 62.100 0.100 0.000 1.144 176 T CB -0.430 68.495 68.868 0.094 0.000 0.864 176 T HN 0.320 nan 8.240 nan 0.000 0.444 177 F N 1.899 121.874 119.950 0.042 0.000 2.095 177 F HA -0.168 4.359 4.527 0.000 0.000 0.298 177 F C 2.243 178.081 175.800 0.063 0.000 1.104 177 F CA 1.070 59.106 58.000 0.060 0.000 1.232 177 F CB -0.441 38.612 39.000 0.089 0.000 0.987 177 F HN -0.092 nan 8.300 nan 0.000 0.475 178 V N 0.494 120.534 119.914 0.210 0.000 2.407 178 V HA -0.282 3.838 4.120 0.000 0.000 0.248 178 V C 1.955 178.042 176.094 -0.011 0.000 1.055 178 V CA 2.229 64.581 62.300 0.085 0.000 1.049 178 V CB -0.762 31.143 31.823 0.136 0.000 0.662 178 V HN 0.369 nan 8.190 nan 0.000 0.455 179 E N 0.324 120.529 120.200 0.007 0.000 2.478 179 E HA -0.131 4.219 4.350 0.000 0.000 0.198 179 E C 2.150 178.725 176.600 -0.041 0.000 1.046 179 E CA 1.222 57.617 56.400 -0.009 0.000 0.870 179 E CB -0.163 29.543 29.700 0.010 0.000 0.818 179 E HN 0.842 nan 8.360 nan 0.000 0.527 180 T N -2.996 111.504 114.554 -0.090 0.000 2.985 180 T HA 0.063 4.413 4.350 0.000 0.000 0.266 180 T C 1.760 176.392 174.700 -0.114 0.000 1.076 180 T CA 0.737 62.772 62.100 -0.109 0.000 1.135 180 T CB 0.129 68.891 68.868 -0.176 0.000 0.890 180 T HN 0.268 nan 8.240 nan 0.000 0.480 181 G N 0.901 109.624 108.800 -0.129 0.000 2.176 181 G HA2 -0.238 3.722 3.960 0.000 0.000 0.253 181 G HA3 -0.238 3.722 3.960 0.000 0.000 0.253 181 G C 0.013 174.834 174.900 -0.131 0.000 0.979 181 G CA 0.134 45.175 45.100 -0.099 0.000 0.641 181 G HN 0.655 nan 8.290 nan 0.000 0.530 182 Q N 0.207 119.873 119.800 -0.223 0.000 2.563 182 Q HA 0.578 4.918 4.340 0.000 0.000 0.232 182 Q C 1.524 177.291 176.000 -0.389 0.000 1.106 182 Q CA -0.537 55.124 55.803 -0.236 0.000 0.913 182 Q CB 0.632 29.242 28.738 -0.212 0.000 1.175 182 Q HN 0.451 nan 8.270 nan 0.000 0.540 183 L N 0.778 121.892 121.223 -0.181 0.000 2.478 183 L HA -0.005 4.335 4.340 0.000 0.000 0.223 183 L C 1.448 178.401 176.870 0.138 0.000 1.140 183 L CA 0.613 55.455 54.840 0.002 0.000 0.842 183 L CB -0.755 41.392 42.059 0.147 0.000 0.953 183 L HN 0.912 nan 8.230 nan 0.000 0.452 184 G N 1.310 110.118 108.800 0.014 0.000 2.665 184 G HA2 -0.352 3.608 3.960 0.000 0.000 0.326 184 G HA3 -0.352 3.608 3.960 0.000 0.000 0.326 184 G C -1.226 173.630 174.900 -0.074 0.000 1.231 184 G CA 0.577 45.684 45.100 0.011 0.000 0.992 184 G HN 0.243 nan 8.290 nan 0.000 0.549 185 P HA 0.078 nan 4.420 nan 0.000 0.221 185 P C 1.327 178.406 177.300 -0.368 0.000 1.145 185 P CA 1.437 64.312 63.100 -0.374 0.000 0.795 185 P CB -0.189 31.154 31.700 -0.595 0.000 0.775 186 F N -2.060 117.949 119.950 0.099 0.000 2.765 186 F HA 0.126 4.653 4.527 0.000 0.000 0.302 186 F C 1.991 177.760 175.800 -0.052 0.000 1.111 186 F CA 0.161 58.181 58.000 0.035 0.000 1.359 186 F CB -1.745 37.350 39.000 0.159 0.000 1.097 186 F HN -0.188 nan 8.300 nan 0.000 0.577 187 T N 0.668 115.259 114.554 0.061 0.000 2.364 187 T HA -0.349 4.001 4.350 0.000 0.000 0.234 187 T C 1.149 175.834 174.700 -0.024 0.000 1.421 187 T CA 2.158 64.267 62.100 0.015 0.000 1.176 187 T CB -0.670 68.192 68.868 -0.010 0.000 0.859 187 T HN 0.321 nan 8.240 nan 0.000 0.407 188 N N 1.539 120.209 118.700 -0.050 0.000 2.575 188 N HA 0.501 5.241 4.740 0.000 0.000 0.275 188 N C -0.462 174.977 175.510 -0.120 0.000 1.202 188 N CA -0.652 52.367 53.050 -0.052 0.000 0.945 188 N CB 0.246 38.727 38.487 -0.011 0.000 1.247 188 N HN 0.434 nan 8.380 nan 0.000 0.510 189 A N 0.089 122.758 122.820 -0.252 0.000 2.540 189 A HA -0.065 4.255 4.320 0.000 0.000 0.239 189 A C 0.745 178.090 177.584 -0.398 0.000 1.061 189 A CA 0.133 51.853 52.037 -0.527 0.000 0.758 189 A CB -0.041 18.279 19.000 -1.133 0.000 0.991 189 A HN 0.554 nan 8.150 nan 0.000 0.502 190 Y N 1.425 121.524 120.300 -0.334 0.000 2.384 190 Y HA -0.268 4.282 4.550 0.000 0.000 0.289 190 Y C 1.640 177.447 175.900 -0.155 0.000 1.152 190 Y CA 1.382 59.411 58.100 -0.119 0.000 1.258 190 Y CB -0.307 38.167 38.460 0.024 0.000 0.979 190 Y HN 0.918 nan 8.280 nan 0.000 0.549 191 F N -1.039 118.811 119.950 -0.166 0.000 2.789 191 F HA 0.216 4.743 4.527 0.000 0.000 0.300 191 F C 0.286 175.970 175.800 -0.193 0.000 1.132 191 F CA -0.568 57.136 58.000 -0.493 0.000 1.404 191 F CB -1.085 37.283 39.000 -1.053 0.000 1.114 191 F HN -0.261 nan 8.300 nan 0.000 0.584 192 L N 2.173 123.310 121.223 -0.143 0.000 2.513 192 L HA 0.306 4.646 4.340 0.000 0.000 0.272 192 L C 1.448 178.343 176.870 0.042 0.000 1.187 192 L CA 0.749 55.587 54.840 -0.003 0.000 0.895 192 L CB 0.027 42.043 42.059 -0.072 0.000 1.147 192 L HN 0.628 nan 8.230 nan 0.000 0.483 193 G N 2.110 110.948 108.800 0.062 0.000 2.159 193 G HA2 -0.043 3.917 3.960 0.000 0.000 0.256 193 G HA3 -0.043 3.917 3.960 0.000 0.000 0.256 193 G C 0.560 175.495 174.900 0.059 0.000 0.977 193 G CA 0.147 45.276 45.100 0.049 0.000 0.652 193 G HN 1.476 nan 8.290 nan 0.000 0.531 194 G N -1.250 107.600 108.800 0.083 0.000 2.712 194 G HA2 0.369 4.329 3.960 0.000 0.000 0.686 194 G HA3 0.369 4.329 3.960 0.000 0.000 0.686 194 G C -0.795 174.200 174.900 0.159 0.000 1.321 194 G CA 0.429 45.592 45.100 0.104 0.000 0.813 194 G HN 2.116 nan 8.290 nan 0.000 0.599 195 H N 2.839 121.975 119.070 0.110 0.000 3.087 195 H HA 0.437 4.993 4.556 0.000 0.000 0.348 195 H C -1.711 173.771 175.328 0.257 0.000 1.092 195 H CA -0.829 55.324 56.048 0.176 0.000 1.285 195 H CB 2.428 32.331 29.762 0.235 0.000 1.875 195 H HN 0.337 nan 8.280 nan 0.000 0.512 196 P HA -0.091 nan 4.420 nan 0.000 0.219 196 P C 0.864 178.474 177.300 0.518 0.000 1.146 196 P CA 1.369 64.660 63.100 0.320 0.000 0.808 196 P CB 0.106 31.893 31.700 0.146 0.000 0.779 197 A N -2.038 121.196 122.820 0.690 0.000 2.238 197 A HA 0.025 4.345 4.320 0.000 0.000 0.208 197 A C 0.344 177.912 177.584 -0.027 0.000 1.177 197 A CA -0.014 52.226 52.037 0.338 0.000 0.804 197 A CB -0.887 18.246 19.000 0.222 0.000 0.823 197 A HN 0.105 nan 8.150 nan 0.000 0.482 198 Y N -0.554 119.838 120.300 0.153 0.000 2.367 198 Y HA 0.352 4.902 4.550 0.000 0.000 0.342 198 Y C 0.619 176.665 175.900 0.243 0.000 0.979 198 Y CA -0.079 58.096 58.100 0.125 0.000 1.161 198 Y CB 0.484 39.030 38.460 0.144 0.000 1.155 198 Y HN 0.306 nan 8.280 nan 0.000 0.503 199 Y N 1.223 121.652 120.300 0.214 0.000 2.481 199 Y HA 0.117 4.667 4.550 0.000 0.000 0.258 199 Y C 0.296 176.178 175.900 -0.029 0.000 1.103 199 Y CA -0.795 57.286 58.100 -0.030 0.000 1.287 199 Y CB 0.570 38.814 38.460 -0.361 0.000 1.108 199 Y HN 0.323 nan 8.280 nan 0.000 0.529 200 L N 2.502 123.840 121.223 0.191 0.000 2.514 200 L HA -0.052 4.288 4.340 0.000 0.000 0.280 200 L C 0.287 177.207 176.870 0.084 0.000 1.223 200 L CA -0.094 54.821 54.840 0.124 0.000 0.864 200 L CB -0.134 42.013 42.059 0.147 0.000 1.118 200 L HN 0.238 nan 8.230 nan 0.000 0.494 201 D N 3.379 123.807 120.400 0.046 0.000 2.383 201 D HA 0.219 4.859 4.640 0.000 0.000 0.248 201 D C -2.076 174.230 176.300 0.010 0.000 1.170 201 D CA -1.906 52.110 54.000 0.027 0.000 0.977 201 D CB 0.102 40.910 40.800 0.014 0.000 1.120 201 D HN 0.225 nan 8.370 nan 0.000 0.481 202 P HA -0.162 nan 4.420 nan 0.000 0.215 202 P C 0.927 178.210 177.300 -0.028 0.000 1.157 202 P CA 1.553 64.641 63.100 -0.020 0.000 0.874 202 P CB 0.165 31.856 31.700 -0.016 0.000 0.790 203 E N -1.090 119.098 120.200 -0.020 0.000 2.058 203 E HA -0.134 4.216 4.350 0.000 0.000 0.194 203 E C 2.019 178.600 176.600 -0.031 0.000 0.997 203 E CA 1.762 58.147 56.400 -0.025 0.000 0.801 203 E CB -1.487 28.203 29.700 -0.016 0.000 0.746 203 E HN 0.228 nan 8.360 nan 0.000 0.450 204 T N 0.286 114.831 114.554 -0.016 0.000 2.867 204 T HA -0.095 4.256 4.350 0.000 0.000 0.268 204 T C 1.526 176.214 174.700 -0.019 0.000 1.057 204 T CA 1.331 63.426 62.100 -0.008 0.000 1.136 204 T CB -0.375 68.504 68.868 0.019 0.000 0.874 204 T HN 0.202 nan 8.240 nan 0.000 0.466 205 N N 0.641 119.323 118.700 -0.030 0.000 2.120 205 N HA -0.039 4.701 4.740 0.000 0.000 0.188 205 N C 1.691 177.142 175.510 -0.098 0.000 1.024 205 N CA 0.607 53.617 53.050 -0.067 0.000 0.852 205 N CB -0.196 38.235 38.487 -0.093 0.000 1.003 205 N HN 0.127 nan 8.380 nan 0.000 0.424 206 L N 1.167 122.336 121.223 -0.089 0.000 2.056 206 L HA -0.020 4.320 4.340 0.000 0.000 0.207 206 L C 1.681 178.474 176.870 -0.128 0.000 1.078 206 L CA 1.369 56.150 54.840 -0.098 0.000 0.749 206 L CB -0.368 41.647 42.059 -0.074 0.000 0.901 206 L HN 0.207 nan 8.230 nan 0.000 0.433 207 I N -0.393 120.091 120.570 -0.143 0.000 2.179 207 I HA -0.296 3.874 4.170 0.000 0.000 0.242 207 I C 2.586 178.493 176.117 -0.350 0.000 1.088 207 I CA 1.245 62.379 61.300 -0.276 0.000 1.357 207 I CB -0.708 37.182 38.000 -0.182 0.000 1.051 207 I HN 0.347 nan 8.210 nan 0.000 0.409 208 A N 0.283 123.038 122.820 -0.108 0.000 1.933 208 A HA -0.188 4.132 4.320 0.000 0.000 0.218 208 A C 2.382 180.014 177.584 0.080 0.000 1.175 208 A CA 2.389 54.462 52.037 0.060 0.000 0.628 208 A CB -1.040 18.005 19.000 0.074 0.000 0.814 208 A HN 0.393 nan 8.150 nan 0.000 0.444 209 T N 0.203 114.734 114.554 -0.040 0.000 2.777 209 T HA 0.034 4.384 4.350 0.000 0.000 0.266 209 T C 2.241 176.961 174.700 0.033 0.000 1.040 209 T CA 1.412 63.481 62.100 -0.052 0.000 1.141 209 T CB -0.420 68.354 68.868 -0.156 0.000 0.868 209 T HN 0.586 nan 8.240 nan 0.000 0.444 210 A N 1.292 124.092 122.820 -0.034 0.000 1.908 210 A HA -0.183 4.137 4.320 0.000 0.000 0.218 210 A C 1.924 179.594 177.584 0.143 0.000 1.181 210 A CA 1.690 53.733 52.037 0.010 0.000 0.627 210 A CB -0.944 18.012 19.000 -0.075 0.000 0.818 210 A HN 0.720 nan 8.150 nan 0.000 0.445 211 H N -3.564 115.544 119.070 0.063 0.000 2.462 211 H HA -0.097 4.459 4.556 0.000 0.000 0.292 211 H C 1.961 177.164 175.328 -0.210 0.000 1.049 211 H CA 1.248 57.283 56.048 -0.023 0.000 1.334 211 H CB -0.122 29.659 29.762 0.031 0.000 1.404 211 H HN 0.724 nan 8.280 nan 0.000 0.544 212 Y N 1.000 121.268 120.300 -0.054 0.000 2.163 212 Y HA -0.220 4.330 4.550 0.000 0.000 0.288 212 Y C 1.983 177.923 175.900 0.066 0.000 1.136 212 Y CA 0.755 58.843 58.100 -0.020 0.000 1.147 212 Y CB -0.100 38.446 38.460 0.142 0.000 0.987 212 Y HN 0.038 nan 8.280 nan 0.000 0.509 213 L N 1.065 122.485 121.223 0.328 0.000 2.056 213 L HA -0.175 4.165 4.340 0.000 0.000 0.207 213 L C 2.481 179.381 176.870 0.051 0.000 1.078 213 L CA 2.036 56.988 54.840 0.188 0.000 0.749 213 L CB -1.383 40.766 42.059 0.151 0.000 0.901 213 L HN 0.414 nan 8.230 nan 0.000 0.433 214 E N -0.569 119.667 120.200 0.059 0.000 2.110 214 E HA -0.217 4.133 4.350 0.000 0.000 0.193 214 E C 2.156 178.688 176.600 -0.113 0.000 0.988 214 E CA 1.105 57.520 56.400 0.026 0.000 0.804 214 E CB 0.058 29.844 29.700 0.143 0.000 0.745 214 E HN 0.438 nan 8.360 nan 0.000 0.458 215 A N 0.933 123.646 122.820 -0.179 0.000 1.972 215 A HA -0.129 4.191 4.320 0.000 0.000 0.219 215 A C 2.153 179.639 177.584 -0.164 0.000 1.169 215 A CA 0.869 52.696 52.037 -0.351 0.000 0.635 215 A CB -0.569 18.175 19.000 -0.426 0.000 0.810 215 A HN 0.318 nan 8.150 nan 0.000 0.446 216 L N -1.215 119.944 121.223 -0.107 0.000 2.079 216 L HA -0.215 4.125 4.340 0.000 0.000 0.210 216 L C 2.858 179.627 176.870 -0.169 0.000 1.081 216 L CA 1.524 56.227 54.840 -0.227 0.000 0.752 216 L CB -0.358 41.544 42.059 -0.262 0.000 0.896 216 L HN 0.386 nan 8.230 nan 0.000 0.433 217 R N -0.765 119.646 120.500 -0.149 0.000 2.112 217 R HA -0.022 4.318 4.340 0.000 0.000 0.216 217 R C 2.205 178.406 176.300 -0.165 0.000 1.080 217 R CA 0.499 56.521 56.100 -0.130 0.000 0.996 217 R CB -0.164 30.079 30.300 -0.095 0.000 0.902 217 R HN 0.222 nan 8.270 nan 0.000 0.449 218 L N 1.931 122.994 121.223 -0.266 0.000 2.131 218 L HA -0.221 4.119 4.340 0.000 0.000 0.210 218 L C 2.217 178.935 176.870 -0.254 0.000 1.092 218 L CA 1.545 56.175 54.840 -0.351 0.000 0.759 218 L CB -0.105 41.501 42.059 -0.756 0.000 0.903 218 L HN 0.112 nan 8.230 nan 0.000 0.435 219 Q N -0.485 119.196 119.800 -0.198 0.000 2.291 219 Q HA -0.151 4.189 4.340 0.000 0.000 0.205 219 Q C 1.961 178.004 176.000 0.071 0.000 0.970 219 Q CA 1.995 57.777 55.803 -0.034 0.000 0.876 219 Q CB -1.409 27.297 28.738 -0.055 0.000 0.935 219 Q HN 0.503 nan 8.270 nan 0.000 0.455 220 V N -0.915 118.984 119.914 -0.024 0.000 2.427 220 V HA -0.182 3.938 4.120 0.000 0.000 0.248 220 V C 1.902 177.965 176.094 -0.053 0.000 1.051 220 V CA 1.887 64.167 62.300 -0.033 0.000 1.048 220 V CB -0.477 31.312 31.823 -0.057 0.000 0.666 220 V HN 0.306 nan 8.190 nan 0.000 0.456 221 K N 1.012 121.370 120.400 -0.070 0.000 2.103 221 K HA 0.162 4.482 4.320 0.000 0.000 0.204 221 K C 2.469 179.022 176.600 -0.078 0.000 1.052 221 K CA 1.287 57.523 56.287 -0.085 0.000 0.945 221 K CB -0.454 31.985 32.500 -0.102 0.000 0.722 221 K HN 0.584 nan 8.250 nan 0.000 0.443 222 A N 1.686 124.488 122.820 -0.031 0.000 1.933 222 A HA -0.096 4.224 4.320 0.000 0.000 0.218 222 A C 2.362 179.946 177.584 0.000 0.000 1.175 222 A CA 1.811 53.861 52.037 0.022 0.000 0.628 222 A CB -0.541 18.530 19.000 0.120 0.000 0.814 222 A HN 0.318 nan 8.150 nan 0.000 0.444 223 A N -0.392 122.396 122.820 -0.053 0.000 1.897 223 A HA -0.098 4.222 4.320 0.000 0.000 0.215 223 A C 2.215 179.702 177.584 -0.162 0.000 1.181 223 A CA 1.504 53.383 52.037 -0.264 0.000 0.620 223 A CB -0.489 18.271 19.000 -0.399 0.000 0.821 223 A HN 0.536 nan 8.150 nan 0.000 0.443 224 R N -0.134 120.293 120.500 -0.121 0.000 2.117 224 R HA -0.169 4.171 4.340 0.000 0.000 0.243 224 R C 2.203 178.429 176.300 -0.124 0.000 1.143 224 R CA 1.512 57.546 56.100 -0.110 0.000 0.968 224 R CB -0.438 29.804 30.300 -0.096 0.000 0.863 224 R HN 0.437 nan 8.270 nan 0.000 0.444 225 A N 0.746 123.481 122.820 -0.143 0.000 1.948 225 A HA -0.220 4.100 4.320 0.000 0.000 0.220 225 A C 2.168 179.720 177.584 -0.055 0.000 1.177 225 A CA 1.856 53.785 52.037 -0.180 0.000 0.636 225 A CB -0.444 18.358 19.000 -0.331 0.000 0.815 225 A HN 0.404 nan 8.150 nan 0.000 0.449 226 M N -0.962 118.596 119.600 -0.070 0.000 2.200 226 M HA -0.067 4.413 4.480 0.000 0.000 0.265 226 M C 2.418 178.616 176.300 -0.170 0.000 1.066 226 M CA 1.262 56.501 55.300 -0.102 0.000 1.127 226 M CB -0.254 32.282 32.600 -0.107 0.000 1.379 226 M HN 0.456 nan 8.290 nan 0.000 0.420 227 A N -0.271 122.468 122.820 -0.135 0.000 2.066 227 A HA -0.024 4.296 4.320 0.000 0.000 0.218 227 A C 2.177 179.688 177.584 -0.120 0.000 1.157 227 A CA 0.834 52.803 52.037 -0.114 0.000 0.670 227 A CB -0.769 18.185 19.000 -0.077 0.000 0.804 227 A HN 0.276 nan 8.150 nan 0.000 0.453 228 V N -1.095 118.718 119.914 -0.168 0.000 2.282 228 V HA -0.266 3.854 4.120 0.000 0.000 0.249 228 V C 2.164 178.180 176.094 -0.130 0.000 1.057 228 V CA 2.298 64.478 62.300 -0.200 0.000 1.032 228 V CB -0.843 30.779 31.823 -0.336 0.000 0.645 228 V HN 0.605 nan 8.190 nan 0.000 0.447 229 F N 0.330 120.170 119.950 -0.184 0.000 2.622 229 F HA 0.343 4.870 4.527 0.000 0.000 0.288 229 F C 2.215 177.695 175.800 -0.532 0.000 1.120 229 F CA 0.378 58.176 58.000 -0.337 0.000 1.423 229 F CB -1.131 37.577 39.000 -0.488 0.000 1.127 229 F HN 0.163 nan 8.300 nan 0.000 0.588 230 G N -0.961 107.590 108.800 -0.416 0.000 3.088 230 G HA2 0.361 4.321 3.960 0.000 0.000 0.212 230 G HA3 0.361 4.321 3.960 0.000 0.000 0.212 230 G C 1.298 176.160 174.900 -0.062 0.000 1.173 230 G CA 0.736 45.529 45.100 -0.513 0.000 0.779 230 G HN 0.439 nan 8.290 nan 0.000 0.540 231 A N -0.656 122.151 122.820 -0.022 0.000 1.729 231 A HA -0.144 4.176 4.320 0.000 0.000 0.223 231 A C 0.865 178.463 177.584 0.024 0.000 0.557 231 A CA 1.764 53.827 52.037 0.043 0.000 1.140 231 A CB -1.512 17.556 19.000 0.114 0.000 1.438 231 A HN 1.345 nan 8.150 nan 0.000 0.713 232 K N -0.010 120.404 120.400 0.023 0.000 2.711 232 K HA 0.584 4.904 4.320 0.000 0.000 0.294 232 K C -1.168 175.436 176.600 0.006 0.000 1.037 232 K CA 0.086 56.378 56.287 0.008 0.000 0.858 232 K CB 0.577 33.093 32.500 0.027 0.000 1.521 232 K HN 1.118 nan 8.250 nan 0.000 0.386 233 N N 0.614 119.298 118.700 -0.027 0.000 2.425 233 N HA 0.479 5.219 4.740 0.000 0.000 0.289 233 N C -2.773 172.694 175.510 -0.073 0.000 1.074 233 N CA -0.870 52.149 53.050 -0.051 0.000 0.905 233 N CB 1.807 40.226 38.487 -0.114 0.000 1.586 233 N HN 0.476 nan 8.380 nan 0.000 0.490 234 P HA 0.282 nan 4.420 nan 0.000 0.274 234 P C -1.232 176.064 177.300 -0.007 0.000 1.246 234 P CA 0.245 63.274 63.100 -0.118 0.000 0.795 234 P CB 0.266 31.796 31.700 -0.284 0.000 1.006 235 H N -2.038 117.080 119.070 0.080 0.000 3.101 235 H HA -0.099 4.457 4.556 0.000 0.000 0.350 235 H C -0.323 175.084 175.328 0.132 0.000 1.157 235 H CA -0.362 55.751 56.048 0.110 0.000 1.141 235 H CB -1.716 28.095 29.762 0.081 0.000 1.595 235 H HN 0.368 nan 8.280 nan 0.000 0.406 236 T N 1.969 116.708 114.554 0.308 0.000 2.855 236 T HA 0.072 4.422 4.350 0.000 0.000 0.314 236 T C 0.955 175.842 174.700 0.313 0.000 1.077 236 T CA 0.158 62.439 62.100 0.301 0.000 1.095 236 T CB 1.125 70.217 68.868 0.373 0.000 0.987 236 T HN 0.575 nan 8.240 nan 0.000 0.546 237 Q N 0.848 120.852 119.800 0.340 0.000 3.825 237 Q HA 0.352 4.692 4.340 0.000 0.000 0.218 237 Q C -0.643 175.553 176.000 0.326 0.000 0.882 237 Q CA -0.289 55.679 55.803 0.276 0.000 0.766 237 Q CB 0.071 28.929 28.738 0.200 0.000 1.497 237 Q HN 0.813 nan 8.270 nan 0.000 0.428 238 F N -1.949 118.063 119.950 0.104 0.000 2.974 238 F HA 0.376 4.903 4.527 0.000 0.000 0.357 238 F C 0.056 175.899 175.800 0.072 0.000 1.114 238 F CA -0.359 57.684 58.000 0.073 0.000 1.099 238 F CB 0.433 39.457 39.000 0.039 0.000 1.205 238 F HN 0.021 nan 8.300 nan 0.000 0.535 239 T N 1.431 115.665 114.554 -0.532 0.000 2.902 239 T HA 0.747 5.097 4.350 0.000 0.000 0.283 239 T C -0.350 174.251 174.700 -0.165 0.000 1.009 239 T CA -0.181 61.636 62.100 -0.472 0.000 1.051 239 T CB 2.060 70.619 68.868 -0.516 0.000 0.999 239 T HN 0.637 nan 8.240 nan 0.000 0.474 240 V N -0.917 118.929 119.914 -0.113 0.000 3.188 240 V HA 0.696 4.816 4.120 0.000 0.000 0.305 240 V C -0.205 175.849 176.094 -0.066 0.000 1.232 240 V CA -1.427 60.863 62.300 -0.016 0.000 1.043 240 V CB 1.405 33.282 31.823 0.091 0.000 1.068 240 V HN 0.810 nan 8.190 nan 0.000 0.439 241 V N 2.599 122.461 119.914 -0.087 0.000 2.540 241 V HA 0.492 4.612 4.120 0.000 0.000 0.297 241 V C 1.650 177.612 176.094 -0.220 0.000 1.024 241 V CA 1.911 64.003 62.300 -0.346 0.000 1.105 241 V CB -0.103 31.218 31.823 -0.836 0.000 0.938 241 V HN 1.982 nan 8.190 nan 0.000 0.482 242 G N 2.934 111.612 108.800 -0.203 0.000 2.213 242 G HA2 0.135 4.095 3.960 0.000 0.000 0.226 242 G HA3 0.135 4.095 3.960 0.000 0.000 0.226 242 G C 0.596 175.515 174.900 0.032 0.000 0.992 242 G CA -0.038 45.064 45.100 0.003 0.000 0.632 242 G HN 1.895 nan 8.290 nan 0.000 0.511 243 G N -1.810 106.980 108.800 -0.016 0.000 2.553 243 G HA2 0.580 4.540 3.960 0.000 0.000 0.106 243 G HA3 0.580 4.540 3.960 0.000 0.000 0.106 243 G C -0.375 174.494 174.900 -0.053 0.000 1.126 243 G CA 1.078 46.166 45.100 -0.020 0.000 1.075 243 G HN 1.903 nan 8.290 nan 0.000 0.472 244 V N -2.437 117.452 119.914 -0.040 0.000 3.141 244 V HA 0.872 4.992 4.120 0.000 0.000 0.312 244 V C 0.923 176.991 176.094 -0.044 0.000 1.157 244 V CA 0.723 63.004 62.300 -0.031 0.000 1.041 244 V CB 1.292 33.165 31.823 0.083 0.000 1.071 244 V HN 1.758 nan 8.190 nan 0.000 0.441 245 T N -2.826 111.741 114.554 0.022 0.000 3.001 245 T HA 0.048 4.398 4.350 0.000 0.000 0.251 245 T C 0.828 175.519 174.700 -0.015 0.000 1.040 245 T CA 0.773 62.885 62.100 0.019 0.000 0.985 245 T CB -0.735 68.204 68.868 0.119 0.000 1.011 245 T HN 1.422 nan 8.240 nan 0.000 0.509 246 C N 2.157 121.461 119.300 0.006 0.000 2.645 246 C HA 0.503 4.963 4.460 0.000 0.000 0.451 246 C C 1.364 176.312 174.990 -0.069 0.000 1.018 246 C CA -1.531 57.501 59.018 0.023 0.000 1.180 246 C CB -2.708 25.072 27.740 0.067 0.000 1.563 246 C HN 0.398 nan 8.230 nan 0.000 0.551 247 Y N 0.571 120.912 120.300 0.069 0.000 2.315 247 Y HA -0.141 4.409 4.550 0.000 0.000 0.288 247 Y C 2.240 178.168 175.900 0.046 0.000 1.154 247 Y CA 2.227 60.358 58.100 0.051 0.000 1.229 247 Y CB -0.284 38.205 38.460 0.048 0.000 0.980 247 Y HN 0.568 nan 8.280 nan 0.000 0.540 248 D N -0.303 120.204 120.400 0.179 0.000 2.309 248 D HA -0.115 4.525 4.640 0.000 0.000 0.212 248 D C 2.038 178.416 176.300 0.130 0.000 0.968 248 D CA 0.919 55.004 54.000 0.142 0.000 0.882 248 D CB -0.152 40.727 40.800 0.132 0.000 0.918 248 D HN 0.290 nan 8.370 nan 0.000 0.503 249 A N -0.388 122.477 122.820 0.076 0.000 2.172 249 A HA -0.054 4.266 4.320 0.000 0.000 0.216 249 A C 1.743 179.318 177.584 -0.015 0.000 1.154 249 A CA 0.512 52.535 52.037 -0.024 0.000 0.701 249 A CB -0.249 18.494 19.000 -0.428 0.000 0.789 249 A HN 0.231 nan 8.150 nan 0.000 0.465 250 L N 0.204 121.446 121.223 0.032 0.000 2.418 250 L HA 0.042 4.382 4.340 0.000 0.000 0.218 250 L C 1.642 178.506 176.870 -0.009 0.000 1.125 250 L CA 1.329 56.170 54.840 0.002 0.000 0.835 250 L CB -0.986 41.091 42.059 0.031 0.000 0.953 250 L HN 0.498 nan 8.230 nan 0.000 0.454 251 T N -2.661 111.923 114.554 0.049 0.000 2.919 251 T HA 0.141 4.491 4.350 0.000 0.000 0.302 251 T C -1.352 173.377 174.700 0.048 0.000 1.031 251 T CA -1.428 60.699 62.100 0.045 0.000 1.127 251 T CB 1.060 69.968 68.868 0.066 0.000 0.952 251 T HN -0.001 nan 8.240 nan 0.000 0.540 252 P HA -0.150 nan 4.420 nan 0.000 0.218 252 P C 1.179 178.514 177.300 0.058 0.000 1.148 252 P CA 1.152 64.267 63.100 0.025 0.000 0.822 252 P CB 0.194 31.898 31.700 0.006 0.000 0.784 253 Q N -0.141 119.695 119.800 0.059 0.000 2.050 253 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 253 Q C 2.501 178.556 176.000 0.093 0.000 0.980 253 Q CA 1.528 57.369 55.803 0.064 0.000 0.840 253 Q CB -0.681 28.088 28.738 0.052 0.000 0.898 253 Q HN 0.261 nan 8.270 nan 0.000 0.424 254 R N -0.030 120.549 120.500 0.132 0.000 2.092 254 R HA 0.010 4.350 4.340 0.000 0.000 0.231 254 R C 2.299 178.756 176.300 0.262 0.000 1.119 254 R CA 1.033 57.247 56.100 0.189 0.000 0.970 254 R CB -0.421 30.042 30.300 0.271 0.000 0.864 254 R HN 0.332 nan 8.270 nan 0.000 0.440 255 I N 0.766 121.515 120.570 0.297 0.000 2.286 255 I HA -0.239 3.931 4.170 0.000 0.000 0.248 255 I C 2.573 178.837 176.117 0.245 0.000 1.115 255 I CA 1.194 62.696 61.300 0.336 0.000 1.392 255 I CB -0.354 37.769 38.000 0.205 0.000 1.065 255 I HN 0.121 nan 8.210 nan 0.000 0.418 256 A N 0.097 123.010 122.820 0.155 0.000 1.930 256 A HA -0.243 4.077 4.320 0.000 0.000 0.217 256 A C 2.315 179.962 177.584 0.106 0.000 1.175 256 A CA 1.687 53.795 52.037 0.118 0.000 0.627 256 A CB -0.560 18.485 19.000 0.075 0.000 0.815 256 A HN 0.470 nan 8.150 nan 0.000 0.443 257 E N -1.130 119.123 120.200 0.087 0.000 2.051 257 E HA -0.218 4.132 4.350 0.000 0.000 0.192 257 E C 1.809 178.423 176.600 0.024 0.000 0.991 257 E CA 1.432 57.854 56.400 0.037 0.000 0.799 257 E CB -0.280 29.430 29.700 0.016 0.000 0.748 257 E HN 0.595 nan 8.360 nan 0.000 0.449 258 F N 1.877 121.748 119.950 -0.131 0.000 2.069 258 F HA -0.217 4.310 4.527 0.000 0.000 0.298 258 F C 2.359 178.165 175.800 0.010 0.000 1.113 258 F CA 2.249 60.132 58.000 -0.196 0.000 1.214 258 F CB -0.260 38.484 39.000 -0.427 0.000 0.978 258 F HN 0.070 nan 8.300 nan 0.000 0.474 259 E N 0.144 120.502 120.200 0.264 0.000 2.097 259 E HA -0.269 4.081 4.350 0.000 0.000 0.196 259 E C 2.204 178.921 176.600 0.194 0.000 1.000 259 E CA 1.188 57.771 56.400 0.305 0.000 0.804 259 E CB -0.357 29.521 29.700 0.296 0.000 0.740 259 E HN 0.507 nan 8.360 nan 0.000 0.454 260 A N 0.643 123.505 122.820 0.070 0.000 1.898 260 A HA -0.145 4.176 4.320 0.000 0.000 0.216 260 A C 2.063 179.605 177.584 -0.070 0.000 1.181 260 A CA 0.985 53.022 52.037 0.001 0.000 0.620 260 A CB -0.444 18.552 19.000 -0.007 0.000 0.819 260 A HN 0.284 nan 8.150 nan 0.000 0.442 261 L N -1.924 119.230 121.223 -0.116 0.000 2.046 261 L HA -0.134 4.206 4.340 0.000 0.000 0.208 261 L C 2.212 178.973 176.870 -0.181 0.000 1.077 261 L CA 1.536 56.275 54.840 -0.169 0.000 0.747 261 L CB -1.652 40.268 42.059 -0.231 0.000 0.896 261 L HN 0.803 nan 8.230 nan 0.000 0.432 262 W N 1.258 122.317 121.300 -0.401 0.000 2.354 262 W HA -0.232 4.428 4.660 0.000 0.000 0.315 262 W C 2.527 178.958 176.519 -0.148 0.000 1.206 262 W CA 1.826 58.971 57.345 -0.334 0.000 1.290 262 W CB -0.276 28.939 29.460 -0.410 0.000 1.152 262 W HN 0.025 nan 8.180 nan 0.000 0.489 263 K N -0.007 120.057 120.400 -0.559 0.000 2.044 263 K HA -0.285 4.035 4.320 0.000 0.000 0.210 263 K C 2.065 178.394 176.600 -0.452 0.000 1.049 263 K CA 2.111 57.957 56.287 -0.735 0.000 0.927 263 K CB -0.545 31.738 32.500 -0.361 0.000 0.713 263 K HN 0.337 nan 8.250 nan 0.000 0.443 264 E N 0.223 120.263 120.200 -0.267 0.000 2.077 264 E HA -0.155 4.195 4.350 0.000 0.000 0.193 264 E C 1.692 178.214 176.600 -0.129 0.000 0.989 264 E CA 1.575 57.877 56.400 -0.164 0.000 0.800 264 E CB 0.129 29.760 29.700 -0.115 0.000 0.746 264 E HN 0.194 nan 8.360 nan 0.000 0.452 265 T N 0.805 115.266 114.554 -0.156 0.000 2.746 265 T HA -0.178 4.172 4.350 0.000 0.000 0.267 265 T C 1.779 176.461 174.700 -0.029 0.000 1.039 265 T CA 1.537 63.597 62.100 -0.066 0.000 1.142 265 T CB -0.187 68.653 68.868 -0.046 0.000 0.866 265 T HN 0.161 nan 8.240 nan 0.000 0.444 266 K N 1.021 121.282 120.400 -0.230 0.000 2.097 266 K HA 0.003 4.323 4.320 0.000 0.000 0.206 266 K C 2.466 178.994 176.600 -0.120 0.000 1.049 266 K CA 1.120 57.281 56.287 -0.211 0.000 0.933 266 K CB -0.281 31.901 32.500 -0.529 0.000 0.717 266 K HN 0.280 nan 8.250 nan 0.000 0.442 267 A N 0.553 123.287 122.820 -0.144 0.000 1.933 267 A HA -0.149 4.171 4.320 0.000 0.000 0.218 267 A C 1.963 179.541 177.584 -0.010 0.000 1.175 267 A CA 1.190 53.175 52.037 -0.087 0.000 0.628 267 A CB -0.740 18.204 19.000 -0.093 0.000 0.814 267 A HN 0.518 nan 8.150 nan 0.000 0.444 268 F N 0.422 120.320 119.950 -0.087 0.000 2.146 268 F HA -0.130 4.397 4.527 0.000 0.000 0.298 268 F C 2.219 178.033 175.800 0.024 0.000 1.096 268 F CA 1.778 59.749 58.000 -0.048 0.000 1.275 268 F CB -0.125 38.848 39.000 -0.045 0.000 1.008 268 F HN 0.036 nan 8.300 nan 0.000 0.480 269 V N 0.556 120.596 119.914 0.210 0.000 2.255 269 V HA -0.325 3.795 4.120 0.000 0.000 0.247 269 V C 2.049 178.132 176.094 -0.017 0.000 1.051 269 V CA 2.352 64.767 62.300 0.192 0.000 1.018 269 V CB -0.664 31.284 31.823 0.207 0.000 0.641 269 V HN 0.290 nan 8.190 nan 0.000 0.445 270 D N -0.294 120.076 120.400 -0.050 0.000 2.117 270 D HA -0.129 4.511 4.640 0.000 0.000 0.198 270 D C 2.170 178.394 176.300 -0.127 0.000 0.982 270 D CA 1.351 55.297 54.000 -0.090 0.000 0.828 270 D CB -0.110 40.647 40.800 -0.073 0.000 0.967 270 D HN 0.587 nan 8.370 nan 0.000 0.464 271 E N -0.529 119.577 120.200 -0.157 0.000 2.415 271 E HA 0.055 4.405 4.350 0.000 0.000 0.197 271 E C 1.606 178.046 176.600 -0.267 0.000 1.007 271 E CA 0.062 56.357 56.400 -0.176 0.000 0.890 271 E CB 1.050 30.663 29.700 -0.144 0.000 0.891 271 E HN 0.073 nan 8.360 nan 0.000 0.496 272 V N -0.230 119.425 119.914 -0.433 0.000 3.001 272 V HA -0.077 4.043 4.120 0.000 0.000 0.228 272 V C 1.664 177.571 176.094 -0.311 0.000 1.204 272 V CA 0.349 62.280 62.300 -0.615 0.000 1.247 272 V CB -0.621 30.417 31.823 -1.308 0.000 1.093 272 V HN 0.160 nan 8.190 nan 0.000 0.504 273 Y N 1.741 121.766 120.300 -0.460 0.000 2.070 273 Y HA -0.207 4.343 4.550 0.000 0.000 0.280 273 Y C 2.389 178.112 175.900 -0.294 0.000 1.148 273 Y CA 1.617 59.602 58.100 -0.191 0.000 1.125 273 Y CB -0.552 37.883 38.460 -0.042 0.000 0.975 273 Y HN 0.097 nan 8.280 nan 0.000 0.492 274 I N 0.764 121.110 120.570 -0.373 0.000 2.179 274 I HA -0.207 3.963 4.170 0.000 0.000 0.242 274 I C -0.358 175.593 176.117 -0.277 0.000 1.088 274 I CA 1.449 62.477 61.300 -0.454 0.000 1.357 274 I CB -2.727 35.062 38.000 -0.352 0.000 1.051 274 I HN 0.173 nan 8.210 nan 0.000 0.409 275 P HA -0.117 nan 4.420 nan 0.000 0.216 275 P C 1.135 178.401 177.300 -0.056 0.000 1.150 275 P CA 1.404 64.444 63.100 -0.100 0.000 0.837 275 P CB 0.056 31.715 31.700 -0.068 0.000 0.786 276 D N -1.131 119.264 120.400 -0.008 0.000 2.117 276 D HA -0.103 4.537 4.640 0.000 0.000 0.198 276 D C 1.956 178.248 176.300 -0.012 0.000 0.982 276 D CA 0.732 54.790 54.000 0.097 0.000 0.828 276 D CB -0.855 40.141 40.800 0.327 0.000 0.967 276 D HN 0.080 nan 8.370 nan 0.000 0.464 277 L N 0.094 121.162 121.223 -0.260 0.000 2.012 277 L HA -0.205 4.135 4.340 0.000 0.000 0.210 277 L C 1.955 178.700 176.870 -0.208 0.000 1.073 277 L CA 0.977 55.576 54.840 -0.401 0.000 0.748 277 L CB -0.081 41.592 42.059 -0.644 0.000 0.891 277 L HN 0.077 nan 8.230 nan 0.000 0.431 278 L N -1.067 120.049 121.223 -0.180 0.000 2.093 278 L HA -0.167 4.173 4.340 0.000 0.000 0.208 278 L C 2.402 179.236 176.870 -0.059 0.000 1.085 278 L CA 1.230 56.000 54.840 -0.117 0.000 0.755 278 L CB -1.069 40.922 42.059 -0.113 0.000 0.904 278 L HN 0.039 nan 8.230 nan 0.000 0.435 279 V N -1.295 118.600 119.914 -0.033 0.000 2.358 279 V HA -0.221 3.899 4.120 0.000 0.000 0.246 279 V C 2.448 178.557 176.094 0.025 0.000 1.047 279 V CA 1.221 63.523 62.300 0.003 0.000 1.035 279 V CB -0.178 31.660 31.823 0.025 0.000 0.658 279 V HN 0.214 nan 8.190 nan 0.000 0.452 280 V N 0.231 120.160 119.914 0.024 0.000 2.358 280 V HA -0.207 3.913 4.120 0.000 0.000 0.246 280 V C 2.678 178.803 176.094 0.052 0.000 1.047 280 V CA 1.890 64.216 62.300 0.043 0.000 1.035 280 V CB -1.048 30.736 31.823 -0.065 0.000 0.658 280 V HN 0.551 nan 8.190 nan 0.000 0.452 281 A N 0.038 122.835 122.820 -0.039 0.000 1.933 281 A HA -0.093 4.227 4.320 0.000 0.000 0.218 281 A C 2.404 180.024 177.584 0.060 0.000 1.175 281 A CA 1.986 54.015 52.037 -0.013 0.000 0.628 281 A CB -0.697 18.262 19.000 -0.068 0.000 0.814 281 A HN 0.560 nan 8.150 nan 0.000 0.444 282 A N -0.270 122.568 122.820 0.030 0.000 1.930 282 A HA 0.212 4.532 4.320 0.000 0.000 0.217 282 A C 2.411 180.022 177.584 0.045 0.000 1.175 282 A CA 1.857 53.911 52.037 0.027 0.000 0.627 282 A CB -0.802 18.200 19.000 0.002 0.000 0.815 282 A HN 1.023 nan 8.150 nan 0.000 0.443 283 A N -2.236 120.616 122.820 0.054 0.000 2.066 283 A HA 0.110 4.430 4.320 0.000 0.000 0.218 283 A C 1.259 178.832 177.584 -0.018 0.000 1.157 283 A CA 0.813 52.846 52.037 -0.007 0.000 0.670 283 A CB -0.413 18.563 19.000 -0.040 0.000 0.804 283 A HN 0.550 nan 8.150 nan 0.000 0.453 284 Y N -0.951 119.475 120.300 0.209 0.000 2.774 284 Y HA 0.262 4.812 4.550 0.000 0.000 0.305 284 Y C 1.493 177.591 175.900 0.330 0.000 1.067 284 Y CA -0.347 57.975 58.100 0.369 0.000 1.304 284 Y CB 0.283 38.906 38.460 0.272 0.000 1.209 284 Y HN 0.217 nan 8.280 nan 0.000 0.543 285 K N 1.202 121.769 120.400 0.278 0.000 2.218 285 K HA -0.222 4.098 4.320 0.000 0.000 0.205 285 K C 1.602 178.294 176.600 0.154 0.000 1.046 285 K CA 2.111 58.499 56.287 0.169 0.000 0.933 285 K CB -0.013 32.534 32.500 0.077 0.000 0.728 285 K HN 0.492 nan 8.250 nan 0.000 0.454 286 D N -1.104 119.419 120.400 0.206 0.000 2.310 286 D HA -0.192 4.448 4.640 0.000 0.000 0.212 286 D C 0.892 177.088 176.300 -0.174 0.000 0.965 286 D CA 0.685 54.708 54.000 0.038 0.000 0.879 286 D CB -0.619 40.243 40.800 0.105 0.000 0.921 286 D HN 0.326 nan 8.370 nan 0.000 0.510 287 W N 1.237 122.605 121.300 0.113 0.000 3.204 287 W HA 0.135 4.795 4.660 0.000 0.000 0.249 287 W C 1.574 178.079 176.519 -0.023 0.000 1.322 287 W CA 0.350 57.754 57.345 0.099 0.000 1.593 287 W CB -0.100 29.523 29.460 0.273 0.000 1.122 287 W HN -0.100 nan 8.180 nan 0.000 0.710 288 T N -0.179 114.371 114.554 -0.007 0.000 3.088 288 T HA -0.084 4.266 4.350 0.000 0.000 0.259 288 T C 1.672 176.286 174.700 -0.143 0.000 1.122 288 T CA 0.848 62.932 62.100 -0.026 0.000 1.095 288 T CB 0.064 68.917 68.868 -0.025 0.000 0.930 288 T HN 0.039 nan 8.240 nan 0.000 0.508 289 Q N 0.151 119.691 119.800 -0.434 0.000 2.319 289 Q HA 0.207 4.547 4.340 0.000 0.000 0.202 289 Q C -0.712 174.966 176.000 -0.536 0.000 0.896 289 Q CA 0.337 55.807 55.803 -0.554 0.000 0.942 289 Q CB 0.369 28.669 28.738 -0.729 0.000 1.083 289 Q HN 0.553 nan 8.270 nan 0.000 0.510 290 Y N -1.295 118.980 120.300 -0.041 0.000 2.605 290 Y HA 0.570 5.120 4.550 0.000 0.000 0.343 290 Y C 1.205 177.182 175.900 0.127 0.000 1.036 290 Y CA -1.310 56.781 58.100 -0.016 0.000 1.065 290 Y CB 1.014 39.358 38.460 -0.194 0.000 1.288 290 Y HN 0.043 nan 8.280 nan 0.000 0.481 291 G N -0.145 108.851 108.800 0.327 0.000 2.147 291 G HA2 -0.110 3.850 3.960 0.000 0.000 0.244 291 G HA3 -0.110 3.850 3.960 0.000 0.000 0.244 291 G C 0.324 175.376 174.900 0.253 0.000 1.005 291 G CA -0.004 45.271 45.100 0.293 0.000 0.713 291 G HN 1.185 nan 8.290 nan 0.000 0.515 292 G N -0.703 108.241 108.800 0.240 0.000 2.507 292 G HA2 0.807 4.767 3.960 0.000 0.000 0.271 292 G HA3 0.807 4.767 3.960 0.000 0.000 0.271 292 G C 0.269 175.319 174.900 0.250 0.000 1.189 292 G CA 0.787 46.049 45.100 0.269 0.000 0.859 292 G HN 1.426 nan 8.290 nan 0.000 0.542 293 T N -2.201 112.519 114.554 0.276 0.000 2.865 293 T HA 0.504 4.854 4.350 0.000 0.000 0.294 293 T C -0.221 174.507 174.700 0.047 0.000 1.119 293 T CA -0.729 61.449 62.100 0.129 0.000 1.007 293 T CB 2.443 71.348 68.868 0.062 0.000 1.225 293 T HN 0.241 nan 8.240 nan 0.000 0.515 294 D N 0.268 120.609 120.400 -0.098 0.000 2.369 294 D HA 0.149 4.790 4.640 0.000 0.000 0.231 294 D C 0.097 176.276 176.300 -0.202 0.000 0.967 294 D CA 0.653 54.603 54.000 -0.083 0.000 0.905 294 D CB 0.153 40.938 40.800 -0.026 0.000 1.044 294 D HN 0.500 nan 8.370 nan 0.000 0.487 295 N N 0.252 118.705 118.700 -0.412 0.000 2.370 295 N HA 0.411 5.151 4.740 0.000 0.000 0.303 295 N C -0.930 174.083 175.510 -0.828 0.000 1.103 295 N CA -0.300 52.500 53.050 -0.416 0.000 0.848 295 N CB 1.795 40.186 38.487 -0.161 0.000 1.235 295 N HN -0.103 nan 8.380 nan 0.000 0.496 296 F N 0.481 120.319 119.950 -0.187 0.000 2.578 296 F HA 0.590 5.117 4.527 0.000 0.000 0.311 296 F C 0.154 175.746 175.800 -0.347 0.000 1.094 296 F CA -1.070 56.825 58.000 -0.176 0.000 0.923 296 F CB 1.621 40.606 39.000 -0.024 0.000 1.230 296 F HN 0.290 nan 8.300 nan 0.000 0.450 297 I N -0.592 119.836 120.570 -0.237 0.000 2.686 297 I HA 0.886 5.056 4.170 0.000 0.000 0.295 297 I C -0.930 174.914 176.117 -0.455 0.000 1.114 297 I CA -0.566 60.463 61.300 -0.452 0.000 1.038 297 I CB 2.438 39.997 38.000 -0.735 0.000 1.238 297 I HN 0.536 nan 8.210 nan 0.000 0.420 298 T N 3.505 117.800 114.554 -0.432 0.000 2.932 298 T HA 0.528 4.878 4.350 0.000 0.000 0.318 298 T C -0.291 174.235 174.700 -0.290 0.000 1.265 298 T CA -0.384 61.468 62.100 -0.413 0.000 1.036 298 T CB 1.167 69.900 68.868 -0.225 0.000 1.209 298 T HN 0.602 nan 8.240 nan 0.000 0.484 299 F N 1.944 121.646 119.950 -0.413 0.000 2.746 299 F HA 0.403 4.930 4.527 0.000 0.000 0.297 299 F C 1.689 177.327 175.800 -0.269 0.000 1.113 299 F CA -0.080 57.630 58.000 -0.483 0.000 1.367 299 F CB 0.616 39.359 39.000 -0.429 0.000 1.111 299 F HN 0.929 nan 8.300 nan 0.000 0.590 300 G N 1.802 110.615 108.800 0.021 0.000 2.705 300 G HA2 -0.026 3.934 3.960 0.000 0.000 0.686 300 G HA3 -0.026 3.934 3.960 0.000 0.000 0.686 300 G C -1.379 173.570 174.900 0.082 0.000 1.285 300 G CA -0.805 44.340 45.100 0.076 0.000 0.800 300 G HN 0.210 nan 8.290 nan 0.000 0.611 301 E N -0.864 119.424 120.200 0.148 0.000 2.407 301 E HA 0.716 5.066 4.350 0.000 0.000 0.279 301 E C -0.229 176.411 176.600 0.066 0.000 1.012 301 E CA -0.575 55.801 56.400 -0.039 0.000 0.800 301 E CB 0.769 30.308 29.700 -0.268 0.000 1.276 301 E HN 1.631 nan 8.360 nan 0.000 0.452 302 F N 0.445 120.528 119.950 0.222 0.000 2.561 302 F HA -0.140 4.387 4.527 0.000 0.000 0.427 302 F C -2.121 173.770 175.800 0.152 0.000 1.139 302 F CA 0.123 58.245 58.000 0.203 0.000 1.360 302 F CB -0.927 38.243 39.000 0.283 0.000 1.972 302 F HN 0.228 nan 8.300 nan 0.000 0.767 303 P HA 0.141 nan 4.420 nan 0.000 0.276 303 P C 0.189 177.529 177.300 0.066 0.000 1.244 303 P CA -0.269 62.900 63.100 0.114 0.000 0.801 303 P CB 1.585 33.319 31.700 0.055 0.000 1.006 304 K N 0.134 120.567 120.400 0.054 0.000 2.313 304 K HA 0.110 4.430 4.320 0.000 0.000 0.197 304 K C 0.054 176.662 176.600 0.013 0.000 1.061 304 K CA 0.826 57.117 56.287 0.006 0.000 0.980 304 K CB 0.165 32.692 32.500 0.044 0.000 0.888 304 K HN 0.503 nan 8.250 nan 0.000 0.502 305 D N 0.976 121.409 120.400 0.054 0.000 2.549 305 D HA 0.097 4.737 4.640 0.000 0.000 0.251 305 D C 0.514 176.876 176.300 0.103 0.000 1.153 305 D CA -0.055 54.002 54.000 0.095 0.000 0.861 305 D CB 1.299 42.166 40.800 0.112 0.000 1.207 305 D HN -0.189 nan 8.370 nan 0.000 0.543 306 E N 2.505 122.773 120.200 0.113 0.000 2.333 306 E HA -0.172 4.178 4.350 0.000 0.000 0.198 306 E C 0.397 176.959 176.600 -0.064 0.000 1.007 306 E CA 0.928 57.337 56.400 0.015 0.000 0.845 306 E CB 0.119 29.800 29.700 -0.033 0.000 0.766 306 E HN 0.623 nan 8.360 nan 0.000 0.507 307 Y N -0.218 120.083 120.300 0.001 0.000 2.485 307 Y HA 0.161 4.712 4.550 0.000 0.000 0.260 307 Y C 0.172 176.099 175.900 0.045 0.000 1.173 307 Y CA -0.422 57.690 58.100 0.019 0.000 1.252 307 Y CB 0.736 39.224 38.460 0.046 0.000 1.123 307 Y HN -0.185 nan 8.280 nan 0.000 0.524 308 D N -0.120 120.368 120.400 0.147 0.000 2.421 308 D HA 0.244 4.884 4.640 0.000 0.000 0.254 308 D C 0.582 176.921 176.300 0.064 0.000 1.238 308 D CA -0.122 53.940 54.000 0.103 0.000 0.919 308 D CB 0.817 41.679 40.800 0.105 0.000 1.152 308 D HN 0.081 nan 8.370 nan 0.000 0.552 309 L N 2.714 123.959 121.223 0.037 0.000 2.191 309 L HA -0.105 4.235 4.340 0.000 0.000 0.212 309 L C 1.286 178.178 176.870 0.037 0.000 1.103 309 L CA 0.940 55.788 54.840 0.014 0.000 0.769 309 L CB -0.288 41.746 42.059 -0.041 0.000 0.908 309 L HN 0.381 nan 8.230 nan 0.000 0.438 310 N N -0.799 117.928 118.700 0.044 0.000 2.521 310 N HA -0.093 4.647 4.740 0.000 0.000 0.188 310 N C 1.576 177.117 175.510 0.052 0.000 1.146 310 N CA 0.688 53.766 53.050 0.046 0.000 0.893 310 N CB 0.151 38.664 38.487 0.042 0.000 0.975 310 N HN 0.258 nan 8.380 nan 0.000 0.451 311 S N -0.309 115.429 115.700 0.063 0.000 2.575 311 S HA 0.170 4.640 4.470 0.000 0.000 0.215 311 S C 0.624 175.283 174.600 0.097 0.000 0.966 311 S CA -0.474 57.769 58.200 0.072 0.000 0.911 311 S CB 0.257 63.501 63.200 0.073 0.000 0.780 311 S HN 0.097 nan 8.310 nan 0.000 0.514 312 R N 0.156 120.718 120.500 0.104 0.000 2.490 312 R HA 0.333 4.673 4.340 0.000 0.000 0.278 312 R C 0.643 177.045 176.300 0.169 0.000 1.069 312 R CA -0.432 55.763 56.100 0.159 0.000 1.080 312 R CB 0.218 30.602 30.300 0.141 0.000 1.030 312 R HN 0.230 nan 8.270 nan 0.000 0.491 313 F N 1.679 121.645 119.950 0.027 0.000 2.120 313 F HA -0.100 4.427 4.527 0.000 0.000 0.300 313 F C 0.082 175.744 175.800 -0.232 0.000 1.095 313 F CA 1.339 59.196 58.000 -0.238 0.000 1.249 313 F CB 0.164 38.806 39.000 -0.596 0.000 0.995 313 F HN 0.273 nan 8.300 nan 0.000 0.480 314 F N 1.374 121.389 119.950 0.107 0.000 2.436 314 F HA 0.407 4.934 4.527 0.000 0.000 0.340 314 F C 0.127 175.928 175.800 0.001 0.000 1.113 314 F CA -1.112 56.870 58.000 -0.031 0.000 1.022 314 F CB 1.100 40.097 39.000 -0.005 0.000 1.128 314 F HN -0.366 nan 8.300 nan 0.000 0.466 315 K N 4.653 125.151 120.400 0.164 0.000 2.098 315 K HA 0.437 4.758 4.320 0.000 0.000 0.258 315 K C -2.480 174.151 176.600 0.052 0.000 0.973 315 K CA -1.779 54.561 56.287 0.088 0.000 0.898 315 K CB 1.105 33.640 32.500 0.058 0.000 1.057 315 K HN 0.279 nan 8.250 nan 0.000 0.447 316 P HA 0.179 nan 4.420 nan 0.000 0.273 316 P C -0.360 176.932 177.300 -0.013 0.000 1.250 316 P CA -0.196 62.886 63.100 -0.030 0.000 0.793 316 P CB 0.889 32.561 31.700 -0.047 0.000 1.011 317 G N -1.480 107.286 108.800 -0.058 0.000 2.361 317 G HA2 0.423 4.383 3.960 0.000 0.000 0.299 317 G HA3 0.423 4.383 3.960 0.000 0.000 0.299 317 G C -1.770 173.044 174.900 -0.144 0.000 1.544 317 G CA -0.321 44.751 45.100 -0.045 0.000 0.860 317 G HN 0.582 nan 8.290 nan 0.000 0.610 318 V N -0.693 119.117 119.914 -0.172 0.000 2.735 318 V HA 0.921 5.041 4.120 0.000 0.000 0.310 318 V C -1.152 174.725 176.094 -0.361 0.000 1.061 318 V CA -0.822 61.260 62.300 -0.363 0.000 0.913 318 V CB 1.773 33.225 31.823 -0.617 0.000 1.005 318 V HN 1.112 nan 8.190 nan 0.000 0.428 319 V N 6.088 125.727 119.914 -0.458 0.000 2.638 319 V HA 0.613 4.733 4.120 0.000 0.000 0.306 319 V C -0.979 174.866 176.094 -0.415 0.000 1.052 319 V CA -0.337 61.715 62.300 -0.414 0.000 0.885 319 V CB 1.855 33.295 31.823 -0.638 0.000 0.999 319 V HN 0.846 nan 8.190 nan 0.000 0.424 320 F N 2.861 122.763 119.950 -0.080 0.000 2.469 320 F HA 0.524 5.052 4.527 0.000 0.000 0.332 320 F C 0.895 176.667 175.800 -0.046 0.000 1.103 320 F CA -1.039 56.940 58.000 -0.034 0.000 0.979 320 F CB 1.660 40.662 39.000 0.004 0.000 1.137 320 F HN 0.487 nan 8.300 nan 0.000 0.463 321 K N 2.728 123.222 120.400 0.156 0.000 3.071 321 K HA -0.294 4.026 4.320 0.000 0.000 0.262 321 K C 0.252 176.873 176.600 0.035 0.000 0.977 321 K CA 0.815 57.146 56.287 0.074 0.000 0.721 321 K CB -1.204 31.337 32.500 0.068 0.000 1.293 321 K HN 0.788 nan 8.250 nan 0.000 0.475 322 R N -1.914 118.627 120.500 0.068 0.000 3.946 322 R HA -0.207 4.134 4.340 0.000 0.000 0.329 322 R C -0.128 176.197 176.300 0.042 0.000 1.209 322 R CA 1.344 57.503 56.100 0.097 0.000 0.909 322 R CB -1.397 28.821 30.300 -0.138 0.000 1.355 322 R HN 0.418 nan 8.270 nan 0.000 0.539 323 D N 0.449 120.812 120.400 -0.063 0.000 2.545 323 D HA 0.051 4.691 4.640 0.000 0.000 0.227 323 D C 0.444 176.692 176.300 -0.087 0.000 1.150 323 D CA -0.087 53.910 54.000 -0.005 0.000 1.046 323 D CB -0.293 40.525 40.800 0.028 0.000 1.098 323 D HN 0.164 nan 8.370 nan 0.000 0.502 324 F N 1.039 121.044 119.950 0.091 0.000 2.699 324 F HA 0.039 4.566 4.527 0.000 0.000 0.298 324 F C 2.140 177.982 175.800 0.070 0.000 1.154 324 F CA 0.552 58.597 58.000 0.077 0.000 1.457 324 F CB 0.160 39.202 39.000 0.070 0.000 1.106 324 F HN 0.182 nan 8.300 nan 0.000 0.585 325 K N -0.167 120.341 120.400 0.179 0.000 2.418 325 K HA 0.027 4.347 4.320 0.000 0.000 0.195 325 K C -0.073 176.581 176.600 0.091 0.000 1.035 325 K CA 0.545 56.910 56.287 0.130 0.000 1.003 325 K CB -0.164 32.400 32.500 0.106 0.000 0.793 325 K HN 0.272 nan 8.250 nan 0.000 0.494 326 N N 1.161 119.903 118.700 0.070 0.000 2.757 326 N HA 0.227 4.967 4.740 0.000 0.000 0.296 326 N C -1.080 174.456 175.510 0.044 0.000 1.874 326 N CA -0.221 52.865 53.050 0.060 0.000 0.885 326 N CB 0.800 39.326 38.487 0.065 0.000 1.242 326 N HN -0.037 nan 8.380 nan 0.000 0.488 327 I N 1.296 121.890 120.570 0.039 0.000 2.587 327 I HA -0.005 4.165 4.170 0.000 0.000 0.284 327 I C 0.516 176.660 176.117 0.046 0.000 1.134 327 I CA 0.290 61.599 61.300 0.015 0.000 1.410 327 I CB 0.341 38.365 38.000 0.039 0.000 1.392 327 I HN 0.107 nan 8.210 nan 0.000 0.545 328 K N 8.050 128.481 120.400 0.052 0.000 2.098 328 K HA 0.441 4.761 4.320 0.000 0.000 0.258 328 K C -2.270 174.387 176.600 0.095 0.000 0.973 328 K CA -1.582 54.770 56.287 0.109 0.000 0.898 328 K CB 0.832 33.461 32.500 0.215 0.000 1.057 328 K HN 0.350 nan 8.250 nan 0.000 0.447 329 P HA -0.030 nan 4.420 nan 0.000 0.272 329 P C -0.886 176.524 177.300 0.183 0.000 1.223 329 P CA -0.234 62.939 63.100 0.121 0.000 0.784 329 P CB 0.408 32.166 31.700 0.097 0.000 0.923 330 F N 2.508 122.457 119.950 -0.001 0.000 2.421 330 F HA 0.289 4.817 4.527 0.000 0.000 0.358 330 F C -0.213 175.636 175.800 0.082 0.000 1.115 330 F CA -0.782 57.213 58.000 -0.008 0.000 1.160 330 F CB 0.104 39.026 39.000 -0.131 0.000 1.123 330 F HN 0.105 nan 8.300 nan 0.000 0.508 331 D N 6.215 126.478 120.400 -0.230 0.000 2.441 331 D HA 0.142 4.782 4.640 0.000 0.000 0.231 331 D C 0.754 176.771 176.300 -0.471 0.000 1.073 331 D CA -0.494 53.323 54.000 -0.305 0.000 0.850 331 D CB 1.227 42.015 40.800 -0.019 0.000 1.062 331 D HN 0.754 nan 8.370 nan 0.000 0.524 332 K N 3.027 123.010 120.400 -0.695 0.000 2.280 332 K HA -0.113 4.207 4.320 0.000 0.000 0.202 332 K C 1.061 177.809 176.600 0.247 0.000 1.047 332 K CA 0.815 56.981 56.287 -0.201 0.000 0.942 332 K CB -0.026 32.550 32.500 0.126 0.000 0.739 332 K HN 0.301 nan 8.250 nan 0.000 0.457 333 M N 0.916 120.571 119.600 0.093 0.000 2.595 333 M HA 0.043 4.523 4.480 0.000 0.000 0.248 333 M C 1.016 177.335 176.300 0.033 0.000 1.119 333 M CA 0.931 56.242 55.300 0.018 0.000 1.079 333 M CB -0.109 32.447 32.600 -0.073 0.000 1.472 333 M HN 0.160 nan 8.290 nan 0.000 0.501 334 Q N 0.189 119.997 119.800 0.013 0.000 2.365 334 Q HA 0.277 4.618 4.340 0.000 0.000 0.203 334 Q C 0.369 176.367 176.000 -0.004 0.000 0.929 334 Q CA 0.086 55.801 55.803 -0.147 0.000 0.948 334 Q CB 0.499 28.879 28.738 -0.596 0.000 1.043 334 Q HN 0.511 nan 8.270 nan 0.000 0.505 335 I N 0.675 121.394 120.570 0.250 0.000 2.353 335 I HA 0.202 4.373 4.170 0.000 0.000 0.293 335 I C -0.750 175.417 176.117 0.083 0.000 0.992 335 I CA -0.293 61.193 61.300 0.310 0.000 1.268 335 I CB 0.917 39.194 38.000 0.462 0.000 1.387 335 I HN -0.077 nan 8.210 nan 0.000 0.478 336 E N 6.318 126.546 120.200 0.047 0.000 2.292 336 E HA 0.339 4.689 4.350 0.000 0.000 0.272 336 E C -1.499 175.043 176.600 -0.098 0.000 0.881 336 E CA -0.750 55.609 56.400 -0.068 0.000 0.754 336 E CB 2.232 31.902 29.700 -0.049 0.000 1.201 336 E HN 0.577 nan 8.360 nan 0.000 0.425 337 E N 2.326 122.410 120.200 -0.194 0.000 2.133 337 E HA 0.249 4.599 4.350 0.000 0.000 0.274 337 E C -0.615 175.885 176.600 -0.167 0.000 0.930 337 E CA -0.434 55.867 56.400 -0.166 0.000 0.770 337 E CB 1.242 30.811 29.700 -0.219 0.000 1.104 337 E HN 0.354 nan 8.360 nan 0.000 0.403 338 H N 1.056 120.052 119.070 -0.123 0.000 2.505 338 H HA 0.157 4.713 4.556 0.000 0.000 0.355 338 H C 0.858 176.133 175.328 -0.088 0.000 1.179 338 H CA -0.253 55.742 56.048 -0.088 0.000 1.343 338 H CB 1.884 31.613 29.762 -0.055 0.000 1.501 338 H HN 0.394 nan 8.280 nan 0.000 0.569 339 V N 0.262 120.190 119.914 0.024 0.000 3.382 339 V HA 0.114 4.234 4.120 0.000 0.000 0.296 339 V C 1.963 178.039 176.094 -0.030 0.000 1.529 339 V CA -0.184 62.132 62.300 0.027 0.000 1.048 339 V CB 0.408 32.261 31.823 0.049 0.000 0.878 339 V HN 0.450 nan 8.190 nan 0.000 0.442 340 R N 1.532 121.986 120.500 -0.077 0.000 2.119 340 R HA -0.156 4.184 4.340 0.000 0.000 0.246 340 R C 1.791 177.853 176.300 -0.398 0.000 1.146 340 R CA 2.462 58.417 56.100 -0.241 0.000 0.962 340 R CB -0.743 29.369 30.300 -0.313 0.000 0.863 340 R HN 0.721 nan 8.270 nan 0.000 0.442 341 H N -0.981 118.009 119.070 -0.134 0.000 2.505 341 H HA 0.398 4.954 4.556 0.000 0.000 0.286 341 H C -0.260 174.728 175.328 -0.567 0.000 1.072 341 H CA 0.011 55.892 56.048 -0.278 0.000 1.141 341 H CB 0.441 30.072 29.762 -0.218 0.000 1.550 341 H HN 0.072 nan 8.280 nan 0.000 0.547 342 S N -0.298 115.193 115.700 -0.347 0.000 2.648 342 S HA 0.164 4.634 4.470 0.000 0.000 0.305 342 S C -0.067 174.258 174.600 -0.459 0.000 1.094 342 S CA -0.805 57.124 58.200 -0.452 0.000 0.983 342 S CB 1.577 64.765 63.200 -0.020 0.000 1.101 342 S HN 0.315 nan 8.310 nan 0.000 0.514 343 W N 2.658 123.575 121.300 -0.638 0.000 1.564 343 W HA 0.344 5.004 4.660 0.000 0.000 0.448 343 W C -0.908 175.094 176.519 -0.861 0.000 0.601 343 W CA -0.602 56.224 57.345 -0.864 0.000 2.326 343 W CB -1.452 27.108 29.460 -1.501 0.000 1.355 343 W HN 0.553 nan 8.180 nan 0.000 0.382 344 Y N -0.490 119.813 120.300 0.004 0.000 2.605 344 Y HA 0.239 4.789 4.550 0.000 0.000 0.343 344 Y C 0.349 176.249 175.900 0.000 0.000 1.036 344 Y CA -1.565 56.550 58.100 0.025 0.000 1.065 344 Y CB 1.190 39.660 38.460 0.016 0.000 1.288 344 Y HN -0.183 nan 8.280 nan 0.000 0.481 345 E N 1.026 121.328 120.200 0.170 0.000 2.360 345 E HA 0.449 4.799 4.350 0.000 0.000 0.269 345 E C 0.516 177.148 176.600 0.054 0.000 1.022 345 E CA 1.232 57.682 56.400 0.083 0.000 0.887 345 E CB 0.315 30.056 29.700 0.069 0.000 0.990 345 E HN 0.821 nan 8.360 nan 0.000 0.426 346 G N 3.065 111.878 108.800 0.021 0.000 2.593 346 G HA2 0.005 3.965 3.960 0.000 0.000 0.237 346 G HA3 0.005 3.965 3.960 0.000 0.000 0.237 346 G C 0.263 175.151 174.900 -0.019 0.000 1.312 346 G CA 0.188 45.287 45.100 -0.002 0.000 0.896 346 G HN 1.290 nan 8.290 nan 0.000 0.574 347 A N -0.856 121.945 122.820 -0.032 0.000 2.674 347 A HA 0.618 4.938 4.320 0.000 0.000 0.274 347 A C 0.358 177.908 177.584 -0.057 0.000 1.065 347 A CA 1.264 53.272 52.037 -0.048 0.000 0.978 347 A CB 0.257 19.224 19.000 -0.055 0.000 1.242 347 A HN 0.877 nan 8.150 nan 0.000 0.583 348 E N 1.410 121.572 120.200 -0.064 0.000 2.223 348 E HA 0.537 4.887 4.350 0.000 0.000 0.282 348 E C 0.281 176.783 176.600 -0.162 0.000 1.046 348 E CA -0.206 56.137 56.400 -0.096 0.000 0.857 348 E CB 0.841 30.499 29.700 -0.069 0.000 1.055 348 E HN 0.457 nan 8.360 nan 0.000 0.409 349 A N 5.409 128.062 122.820 -0.279 0.000 2.371 349 A HA 0.415 4.735 4.320 0.000 0.000 0.257 349 A C -0.286 177.139 177.584 -0.264 0.000 1.089 349 A CA -0.347 51.425 52.037 -0.443 0.000 0.794 349 A CB 0.567 18.967 19.000 -1.000 0.000 1.029 349 A HN 0.617 nan 8.150 nan 0.000 0.488 350 R N 0.833 121.195 120.500 -0.229 0.000 2.673 350 R HA 0.282 4.622 4.340 0.000 0.000 0.281 350 R C -0.748 175.456 176.300 -0.160 0.000 0.991 350 R CA -0.670 55.340 56.100 -0.151 0.000 0.896 350 R CB 1.367 31.590 30.300 -0.129 0.000 1.201 350 R HN 0.975 nan 8.270 nan 0.000 0.457 351 H N 3.668 122.622 119.070 -0.192 0.000 2.732 351 H HA 0.107 4.663 4.556 0.000 0.000 0.351 351 H C -1.550 173.569 175.328 -0.349 0.000 1.090 351 H CA -1.298 54.589 56.048 -0.269 0.000 1.431 351 H CB 1.566 31.211 29.762 -0.195 0.000 1.447 351 H HN 0.129 nan 8.280 nan 0.000 0.582 352 P HA -0.187 nan 4.420 nan 0.000 0.217 352 P C 1.046 178.094 177.300 -0.420 0.000 1.148 352 P CA 1.195 63.717 63.100 -0.964 0.000 0.834 352 P CB 0.006 30.485 31.700 -2.035 0.000 0.783 353 W N -0.163 120.977 121.300 -0.267 0.000 2.937 353 W HA 0.091 4.751 4.660 0.000 0.000 0.245 353 W C 0.853 177.366 176.519 -0.010 0.000 1.306 353 W CA 0.921 58.268 57.345 0.002 0.000 1.470 353 W CB -0.502 29.054 29.460 0.161 0.000 1.132 353 W HN 0.079 nan 8.180 nan 0.000 0.675 354 K N -0.984 119.505 120.400 0.149 0.000 2.826 354 K HA 0.258 4.578 4.320 0.000 0.000 0.206 354 K C 0.756 177.352 176.600 -0.007 0.000 1.116 354 K CA -0.239 56.088 56.287 0.067 0.000 1.045 354 K CB 0.797 33.335 32.500 0.062 0.000 0.758 354 K HN -0.167 nan 8.250 nan 0.000 0.465 355 G N 0.927 109.702 108.800 -0.041 0.000 2.569 355 G HA2 0.150 4.110 3.960 0.000 0.000 0.249 355 G HA3 0.150 4.110 3.960 0.000 0.000 0.249 355 G C -0.526 174.346 174.900 -0.048 0.000 1.216 355 G CA -0.059 44.989 45.100 -0.086 0.000 0.845 355 G HN 0.162 nan 8.290 nan 0.000 0.568 356 Q N -0.640 119.116 119.800 -0.074 0.000 2.331 356 Q HA 0.473 4.813 4.340 0.000 0.000 0.272 356 Q C -1.267 174.684 176.000 -0.082 0.000 1.062 356 Q CA -0.597 55.178 55.803 -0.046 0.000 0.806 356 Q CB 2.632 31.347 28.738 -0.039 0.000 1.312 356 Q HN 0.441 nan 8.270 nan 0.000 0.431 357 T N 2.636 117.187 114.554 -0.006 0.000 3.226 357 T HA 0.254 4.604 4.350 0.000 0.000 0.378 357 T C -0.832 173.976 174.700 0.180 0.000 1.380 357 T CA -0.464 61.654 62.100 0.029 0.000 1.396 357 T CB 0.306 69.246 68.868 0.120 0.000 1.044 357 T HN 0.403 nan 8.240 nan 0.000 0.586 358 Q N 3.498 123.431 119.800 0.222 0.000 2.571 358 Q HA 0.278 4.618 4.340 0.000 0.000 0.243 358 Q C -2.562 173.628 176.000 0.315 0.000 1.055 358 Q CA -2.148 53.789 55.803 0.224 0.000 0.815 358 Q CB 1.642 30.462 28.738 0.136 0.000 1.151 358 Q HN 0.337 nan 8.270 nan 0.000 0.519 359 P HA -0.019 nan 4.420 nan 0.000 0.269 359 P C -0.750 176.596 177.300 0.075 0.000 1.209 359 P CA 0.048 63.188 63.100 0.066 0.000 0.776 359 P CB 0.775 32.353 31.700 -0.203 0.000 0.876 360 K N 2.895 123.319 120.400 0.040 0.000 2.739 360 K HA 0.170 4.490 4.320 0.000 0.000 0.288 360 K C -1.712 174.866 176.600 -0.036 0.000 1.142 360 K CA -0.601 55.704 56.287 0.030 0.000 1.060 360 K CB 0.557 33.074 32.500 0.028 0.000 1.338 360 K HN 0.282 nan 8.250 nan 0.000 0.514 361 Y N 2.589 122.754 120.300 -0.225 0.000 2.319 361 Y HA 0.151 4.701 4.550 0.000 0.000 0.328 361 Y C 0.928 176.590 175.900 -0.396 0.000 1.133 361 Y CA 0.883 58.641 58.100 -0.570 0.000 1.265 361 Y CB 1.408 39.573 38.460 -0.492 0.000 1.218 361 Y HN 0.624 nan 8.280 nan 0.000 0.508 362 T N 0.457 114.449 114.554 -0.938 0.000 3.111 362 T HA 0.256 4.606 4.350 0.000 0.000 0.284 362 T C -0.380 173.922 174.700 -0.663 0.000 0.983 362 T CA 0.109 61.904 62.100 -0.509 0.000 0.900 362 T CB -0.194 68.593 68.868 -0.135 0.000 1.132 362 T HN 0.731 nan 8.240 nan 0.000 0.531 363 D N 0.324 119.767 120.400 -1.595 0.000 10.753 363 D HA -0.154 4.486 4.640 0.000 0.000 0.356 363 D C -0.635 175.538 176.300 -0.212 0.000 3.118 363 D CA -0.166 53.226 54.000 -1.014 0.000 2.600 363 D CB -0.176 40.393 40.800 -0.385 0.000 1.206 363 D HN 0.232 nan 8.370 nan 0.000 0.947 364 L N 4.251 125.494 121.223 0.033 0.000 2.745 364 L HA -0.041 4.299 4.340 0.000 0.000 0.273 364 L C 1.321 178.244 176.870 0.087 0.000 1.156 364 L CA 1.278 56.206 54.840 0.147 0.000 0.982 364 L CB -1.455 40.687 42.059 0.138 0.000 1.295 364 L HN 0.546 nan 8.230 nan 0.000 0.483 365 H N 0.084 119.213 119.070 0.097 0.000 3.237 365 H HA -0.150 4.406 4.556 0.000 0.000 0.231 365 H C 1.027 176.363 175.328 0.013 0.000 1.148 365 H CA 0.724 56.777 56.048 0.009 0.000 1.155 365 H CB -1.420 28.280 29.762 -0.103 0.000 1.210 365 H HN 0.689 nan 8.280 nan 0.000 0.317 366 G N 1.206 110.061 108.800 0.092 0.000 2.335 366 G HA2 0.270 4.230 3.960 0.000 0.000 0.268 366 G HA3 0.270 4.230 3.960 0.000 0.000 0.268 366 G C 0.354 175.273 174.900 0.033 0.000 1.228 366 G CA 0.796 45.911 45.100 0.026 0.000 0.968 366 G HN 0.406 nan 8.290 nan 0.000 0.459 367 D N 1.761 122.178 120.400 0.027 0.000 2.837 367 D HA -0.216 4.424 4.640 0.000 0.000 0.230 367 D C 0.757 177.085 176.300 0.046 0.000 1.152 367 D CA 1.569 55.582 54.000 0.021 0.000 0.736 367 D CB -1.004 39.794 40.800 -0.004 0.000 1.084 367 D HN 0.707 nan 8.370 nan 0.000 0.429 368 D N -1.371 119.091 120.400 0.103 0.000 2.945 368 D HA -0.242 4.398 4.640 0.000 0.000 0.225 368 D C -0.586 175.856 176.300 0.238 0.000 1.158 368 D CA 1.152 55.279 54.000 0.211 0.000 0.805 368 D CB -0.719 40.224 40.800 0.237 0.000 1.098 368 D HN 0.695 nan 8.370 nan 0.000 0.426 369 R N 0.041 120.566 120.500 0.042 0.000 2.514 369 R HA 0.530 4.871 4.340 0.000 0.000 0.301 369 R C 0.297 176.292 176.300 -0.508 0.000 0.962 369 R CA -0.692 55.244 56.100 -0.274 0.000 0.882 369 R CB 1.079 31.180 30.300 -0.331 0.000 1.143 369 R HN 0.270 nan 8.270 nan 0.000 0.452 370 Y N -1.591 118.139 120.300 -0.950 0.000 2.863 370 Y HA 0.498 5.048 4.550 0.000 0.000 0.254 370 Y C -0.522 174.581 175.900 -1.328 0.000 1.124 370 Y CA -0.709 56.737 58.100 -1.089 0.000 1.203 370 Y CB 0.719 38.702 38.460 -0.796 0.000 1.269 370 Y HN 0.404 nan 8.280 nan 0.000 0.586 371 S N -0.824 113.693 115.700 -1.971 0.000 2.565 371 S HA 0.284 4.754 4.470 0.000 0.000 0.269 371 S C -1.251 172.871 174.600 -0.797 0.000 1.153 371 S CA -0.641 56.900 58.200 -1.098 0.000 0.835 371 S CB 0.291 63.145 63.200 -0.577 0.000 1.122 371 S HN 0.411 nan 8.310 nan 0.000 0.462 372 W N 2.147 123.438 121.300 -0.016 0.000 3.139 372 W HA 0.356 5.017 4.660 0.000 0.000 0.260 372 W C 0.954 177.591 176.519 0.197 0.000 1.312 372 W CA -0.394 57.048 57.345 0.162 0.000 1.606 372 W CB 0.313 29.975 29.460 0.336 0.000 1.118 372 W HN 0.272 nan 8.180 nan 0.000 0.675 373 M N 1.339 121.085 119.600 0.244 0.000 2.235 373 M HA 0.143 4.623 4.480 0.000 0.000 0.351 373 M C 0.515 176.888 176.300 0.122 0.000 1.178 373 M CA 0.247 55.649 55.300 0.171 0.000 1.143 373 M CB 1.014 33.659 32.600 0.075 0.000 1.530 373 M HN -0.230 nan 8.290 nan 0.000 0.461 374 K N 1.226 121.678 120.400 0.086 0.000 2.102 374 K HA 0.517 4.837 4.320 0.000 0.000 0.244 374 K C -0.381 176.187 176.600 -0.054 0.000 1.021 374 K CA -0.450 55.835 56.287 -0.004 0.000 0.913 374 K CB 0.818 33.252 32.500 -0.111 0.000 1.062 374 K HN 0.730 nan 8.250 nan 0.000 0.485 375 A N 2.950 125.740 122.820 -0.050 0.000 2.399 375 A HA 0.374 4.694 4.320 0.000 0.000 0.327 375 A C -2.505 175.022 177.584 -0.094 0.000 1.367 375 A CA -1.751 50.245 52.037 -0.068 0.000 0.842 375 A CB 0.307 19.285 19.000 -0.036 0.000 1.142 375 A HN 0.310 nan 8.150 nan 0.000 0.495 376 P HA 0.344 nan 4.420 nan 0.000 0.276 376 P C -0.538 176.605 177.300 -0.261 0.000 1.230 376 P CA -0.025 62.745 63.100 -0.551 0.000 0.776 376 P CB 0.689 31.472 31.700 -1.528 0.000 0.888 377 R N 2.416 122.934 120.500 0.029 0.000 2.628 377 R HA 0.278 4.618 4.340 0.000 0.000 0.288 377 R C 0.028 176.639 176.300 0.517 0.000 0.980 377 R CA -0.730 55.554 56.100 0.307 0.000 0.891 377 R CB 1.393 31.804 30.300 0.185 0.000 1.188 377 R HN 0.532 nan 8.270 nan 0.000 0.450 378 Y N 2.110 122.732 120.300 0.538 0.000 2.612 378 Y HA 0.144 4.694 4.550 0.000 0.000 0.239 378 Y C 0.994 177.109 175.900 0.359 0.000 0.995 378 Y CA 0.950 59.345 58.100 0.491 0.000 1.026 378 Y CB 0.338 39.023 38.460 0.376 0.000 1.046 378 Y HN 0.400 nan 8.280 nan 0.000 0.467 379 M N 1.249 120.946 119.600 0.161 0.000 3.568 379 M HA 0.182 4.663 4.480 0.000 0.000 0.213 379 M C 0.548 176.919 176.300 0.118 0.000 1.256 379 M CA 0.606 55.914 55.300 0.014 0.000 1.418 379 M CB 0.167 32.784 32.600 0.029 0.000 1.102 379 M HN 0.807 nan 8.290 nan 0.000 0.599 380 G N -0.431 108.465 108.800 0.159 0.000 2.179 380 G HA2 -0.184 3.776 3.960 0.000 0.000 0.260 380 G HA3 -0.184 3.776 3.960 0.000 0.000 0.260 380 G C -0.130 174.861 174.900 0.151 0.000 0.977 380 G CA -0.140 45.047 45.100 0.144 0.000 0.641 380 G HN 0.492 nan 8.290 nan 0.000 0.533 381 E N 0.995 121.352 120.200 0.262 0.000 2.202 381 E HA 0.466 4.816 4.350 0.000 0.000 0.272 381 E C -2.486 174.281 176.600 0.280 0.000 0.951 381 E CA -2.001 54.560 56.400 0.269 0.000 0.813 381 E CB 2.145 32.097 29.700 0.420 0.000 1.151 381 E HN 0.214 nan 8.360 nan 0.000 0.398 382 P HA 0.248 nan 4.420 nan 0.000 0.286 382 P C -0.634 176.750 177.300 0.140 0.000 1.269 382 P CA -0.305 62.896 63.100 0.169 0.000 0.787 382 P CB 0.703 32.447 31.700 0.072 0.000 0.920 383 M N 1.495 121.213 119.600 0.195 0.000 2.393 383 M HA 0.392 4.872 4.480 0.000 0.000 0.316 383 M C 0.202 176.472 176.300 -0.050 0.000 1.087 383 M CA -0.893 54.398 55.300 -0.015 0.000 0.937 383 M CB 1.958 34.464 32.600 -0.157 0.000 1.668 383 M HN 0.399 nan 8.290 nan 0.000 0.438 384 E N 1.207 121.299 120.200 -0.181 0.000 2.331 384 E HA 0.453 4.803 4.350 0.000 0.000 0.272 384 E C -1.090 175.486 176.600 -0.040 0.000 1.036 384 E CA -0.013 56.354 56.400 -0.055 0.000 0.864 384 E CB 1.289 30.977 29.700 -0.020 0.000 1.035 384 E HN 0.686 nan 8.360 nan 0.000 0.408 385 T N 1.973 116.527 114.554 -0.000 0.000 2.901 385 T HA 0.749 5.099 4.350 0.000 0.000 0.293 385 T C -0.426 174.279 174.700 0.009 0.000 1.084 385 T CA 0.439 62.479 62.100 -0.099 0.000 1.008 385 T CB 1.402 70.068 68.868 -0.338 0.000 1.170 385 T HN 0.913 nan 8.240 nan 0.000 0.509 386 G N 2.710 111.484 108.800 -0.044 0.000 2.331 386 G HA2 0.007 3.967 3.960 0.000 0.000 0.479 386 G HA3 0.007 3.967 3.960 0.000 0.000 0.479 386 G C -2.472 172.426 174.900 -0.003 0.000 1.262 386 G CA -0.125 44.979 45.100 0.007 0.000 1.029 386 G HN 0.572 nan 8.290 nan 0.000 0.487 387 P HA -0.058 nan 4.420 nan 0.000 0.216 387 P C 2.262 179.505 177.300 -0.095 0.000 1.157 387 P CA 1.399 64.476 63.100 -0.040 0.000 0.880 387 P CB 0.071 31.726 31.700 -0.075 0.000 0.791 388 L N -1.246 119.938 121.223 -0.064 0.000 2.046 388 L HA -0.188 4.152 4.340 0.000 0.000 0.208 388 L C 2.178 178.963 176.870 -0.142 0.000 1.077 388 L CA 1.952 56.727 54.840 -0.109 0.000 0.747 388 L CB -0.870 41.178 42.059 -0.018 0.000 0.896 388 L HN -0.022 nan 8.230 nan 0.000 0.432 389 A N -0.832 121.989 122.820 0.000 0.000 1.898 389 A HA -0.276 4.044 4.320 0.000 0.000 0.216 389 A C 2.151 179.676 177.584 -0.097 0.000 1.181 389 A CA 1.625 53.669 52.037 0.011 0.000 0.620 389 A CB -0.472 18.617 19.000 0.149 0.000 0.819 389 A HN 0.558 nan 8.150 nan 0.000 0.442 390 Q N -0.288 119.421 119.800 -0.151 0.000 2.046 390 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 390 Q C 1.913 177.749 176.000 -0.274 0.000 0.975 390 Q CA 2.008 57.666 55.803 -0.242 0.000 0.836 390 Q CB -0.218 28.314 28.738 -0.344 0.000 0.896 390 Q HN 0.360 nan 8.270 nan 0.000 0.428 391 V N 0.923 120.677 119.914 -0.266 0.000 2.270 391 V HA -0.276 3.844 4.120 0.000 0.000 0.245 391 V C 2.350 178.320 176.094 -0.206 0.000 1.043 391 V CA 1.684 63.842 62.300 -0.238 0.000 1.014 391 V CB -0.547 31.141 31.823 -0.224 0.000 0.645 391 V HN 0.420 nan 8.190 nan 0.000 0.447 392 L N -0.727 120.309 121.223 -0.311 0.000 2.046 392 L HA -0.198 4.142 4.340 0.000 0.000 0.208 392 L C 2.373 179.127 176.870 -0.193 0.000 1.077 392 L CA 1.711 56.268 54.840 -0.472 0.000 0.747 392 L CB -0.532 40.987 42.059 -0.900 0.000 0.896 392 L HN 0.284 nan 8.230 nan 0.000 0.432 393 I N -0.121 120.451 120.570 0.003 0.000 2.202 393 I HA -0.261 3.909 4.170 0.000 0.000 0.242 393 I C 2.814 178.981 176.117 0.083 0.000 1.091 393 I CA 1.174 62.555 61.300 0.135 0.000 1.368 393 I CB -0.422 37.627 38.000 0.082 0.000 1.058 393 I HN 0.188 nan 8.210 nan 0.000 0.410 394 A N -0.007 122.825 122.820 0.021 0.000 1.933 394 A HA -0.282 4.038 4.320 0.000 0.000 0.218 394 A C 2.294 179.921 177.584 0.073 0.000 1.175 394 A CA 1.436 53.502 52.037 0.047 0.000 0.628 394 A CB -1.078 17.916 19.000 -0.010 0.000 0.814 394 A HN 0.524 nan 8.150 nan 0.000 0.444 395 Y N 1.214 121.468 120.300 -0.078 0.000 2.128 395 Y HA -0.237 4.313 4.550 0.000 0.000 0.284 395 Y C 2.722 178.599 175.900 -0.038 0.000 1.154 395 Y CA 2.051 60.106 58.100 -0.076 0.000 1.149 395 Y CB -0.128 38.233 38.460 -0.164 0.000 0.976 395 Y HN 0.327 nan 8.280 nan 0.000 0.505 396 S N -0.087 115.762 115.700 0.247 0.000 2.423 396 S HA -0.204 4.266 4.470 0.000 0.000 0.231 396 S C 1.497 176.175 174.600 0.129 0.000 1.014 396 S CA 1.352 59.684 58.200 0.220 0.000 0.965 396 S CB -0.258 63.119 63.200 0.295 0.000 0.785 396 S HN 0.581 nan 8.310 nan 0.000 0.495 397 Q N 0.042 119.898 119.800 0.093 0.000 2.444 397 Q HA 0.239 4.579 4.340 0.000 0.000 0.206 397 Q C 1.161 177.164 176.000 0.004 0.000 0.948 397 Q CA 0.281 56.116 55.803 0.053 0.000 0.946 397 Q CB 0.204 28.976 28.738 0.057 0.000 1.027 397 Q HN 0.596 nan 8.270 nan 0.000 0.513 398 G N 1.265 110.045 108.800 -0.033 0.000 2.137 398 G HA2 -0.325 3.635 3.960 0.000 0.000 0.237 398 G HA3 -0.325 3.635 3.960 0.000 0.000 0.237 398 G C -0.305 174.525 174.900 -0.117 0.000 1.002 398 G CA 0.092 45.130 45.100 -0.104 0.000 0.702 398 G HN 0.608 nan 8.290 nan 0.000 0.515 399 H N 1.050 120.002 119.070 -0.196 0.000 3.091 399 H HA 0.317 4.873 4.556 0.000 0.000 0.289 399 H C -0.477 174.715 175.328 -0.226 0.000 0.995 399 H CA -0.267 55.648 56.048 -0.221 0.000 1.461 399 H CB 0.930 30.567 29.762 -0.209 0.000 1.510 399 H HN 0.161 nan 8.280 nan 0.000 0.546 400 P HA -0.196 nan 4.420 nan 0.000 0.214 400 P C 0.860 178.164 177.300 0.006 0.000 1.163 400 P CA 1.822 64.858 63.100 -0.106 0.000 0.883 400 P CB 0.283 31.904 31.700 -0.131 0.000 0.788 401 K N -0.741 119.736 120.400 0.129 0.000 2.057 401 K HA -0.062 4.258 4.320 0.000 0.000 0.206 401 K C 2.009 178.702 176.600 0.156 0.000 1.050 401 K CA 1.116 57.515 56.287 0.186 0.000 0.935 401 K CB -0.945 31.730 32.500 0.291 0.000 0.715 401 K HN -0.030 nan 8.250 nan 0.000 0.439 402 V N 1.803 121.824 119.914 0.179 0.000 2.358 402 V HA -0.255 3.865 4.120 0.000 0.000 0.246 402 V C 2.340 178.454 176.094 0.033 0.000 1.047 402 V CA 1.678 63.995 62.300 0.028 0.000 1.035 402 V CB -0.352 31.407 31.823 -0.107 0.000 0.658 402 V HN 0.302 nan 8.190 nan 0.000 0.452 403 K N 0.226 120.566 120.400 -0.101 0.000 2.026 403 K HA -0.188 4.133 4.320 0.000 0.000 0.208 403 K C 2.210 178.790 176.600 -0.034 0.000 1.048 403 K CA 1.611 57.729 56.287 -0.281 0.000 0.929 403 K CB -0.403 31.767 32.500 -0.551 0.000 0.713 403 K HN 0.414 nan 8.250 nan 0.000 0.439 404 A N 0.613 123.418 122.820 -0.024 0.000 1.865 404 A HA -0.171 4.149 4.320 0.000 0.000 0.217 404 A C 2.274 179.870 177.584 0.020 0.000 1.191 404 A CA 1.980 54.019 52.037 0.003 0.000 0.623 404 A CB -1.063 17.942 19.000 0.009 0.000 0.826 404 A HN 0.287 nan 8.150 nan 0.000 0.444 405 V N 0.516 120.446 119.914 0.027 0.000 2.427 405 V HA -0.187 3.933 4.120 0.000 0.000 0.248 405 V C 2.804 178.898 176.094 0.001 0.000 1.051 405 V CA 3.223 65.529 62.300 0.009 0.000 1.048 405 V CB -1.001 30.828 31.823 0.009 0.000 0.666 405 V HN 0.849 nan 8.190 nan 0.000 0.456 406 T N -2.525 112.053 114.554 0.040 0.000 2.746 406 T HA -0.215 4.135 4.350 0.000 0.000 0.267 406 T C 1.690 176.398 174.700 0.014 0.000 1.039 406 T CA 1.665 63.776 62.100 0.019 0.000 1.142 406 T CB -0.719 68.189 68.868 0.066 0.000 0.866 406 T HN 0.509 nan 8.240 nan 0.000 0.444 407 D N 2.000 122.450 120.400 0.082 0.000 2.123 407 D HA 0.016 4.656 4.640 0.000 0.000 0.196 407 D C 2.495 178.795 176.300 0.000 0.000 0.992 407 D CA 1.512 55.542 54.000 0.050 0.000 0.833 407 D CB -0.705 40.139 40.800 0.073 0.000 0.954 407 D HN 0.606 nan 8.370 nan 0.000 0.455 408 A N 0.537 123.353 122.820 -0.007 0.000 1.902 408 A HA -0.124 4.196 4.320 0.000 0.000 0.217 408 A C 2.539 180.096 177.584 -0.045 0.000 1.181 408 A CA 1.127 53.148 52.037 -0.025 0.000 0.623 408 A CB -0.701 18.283 19.000 -0.026 0.000 0.818 408 A HN 0.148 nan 8.150 nan 0.000 0.443 409 V N -0.324 119.555 119.914 -0.059 0.000 2.343 409 V HA -0.217 3.903 4.120 0.000 0.000 0.247 409 V C 2.490 178.537 176.094 -0.080 0.000 1.051 409 V CA 1.842 64.091 62.300 -0.084 0.000 1.036 409 V CB -0.711 31.044 31.823 -0.112 0.000 0.654 409 V HN 0.477 nan 8.190 nan 0.000 0.451 410 L N 0.328 121.505 121.223 -0.076 0.000 2.093 410 L HA -0.061 4.279 4.340 0.000 0.000 0.208 410 L C 2.564 179.402 176.870 -0.055 0.000 1.085 410 L CA 2.178 56.972 54.840 -0.076 0.000 0.755 410 L CB -1.226 40.780 42.059 -0.088 0.000 0.904 410 L HN 0.287 nan 8.230 nan 0.000 0.435 411 A N -0.866 121.928 122.820 -0.042 0.000 1.930 411 A HA -0.211 4.109 4.320 0.000 0.000 0.217 411 A C 2.359 179.922 177.584 -0.035 0.000 1.175 411 A CA 1.671 53.688 52.037 -0.033 0.000 0.627 411 A CB -0.393 18.593 19.000 -0.024 0.000 0.815 411 A HN 0.272 nan 8.150 nan 0.000 0.443 412 K N 0.204 120.579 120.400 -0.042 0.000 2.057 412 K HA 0.014 4.334 4.320 0.000 0.000 0.207 412 K C 1.572 178.147 176.600 -0.042 0.000 1.049 412 K CA 1.474 57.735 56.287 -0.043 0.000 0.931 412 K CB -0.517 31.950 32.500 -0.055 0.000 0.714 412 K HN 0.449 nan 8.250 nan 0.000 0.440 413 L N -0.618 120.577 121.223 -0.047 0.000 2.478 413 L HA 0.147 4.487 4.340 0.000 0.000 0.223 413 L C 0.921 177.771 176.870 -0.033 0.000 1.140 413 L CA 0.426 55.242 54.840 -0.041 0.000 0.842 413 L CB -0.444 41.585 42.059 -0.049 0.000 0.953 413 L HN 0.544 nan 8.230 nan 0.000 0.452 414 G N 1.420 110.199 108.800 -0.034 0.000 2.314 414 G HA2 -0.210 3.750 3.960 0.000 0.000 0.292 414 G HA3 -0.210 3.750 3.960 0.000 0.000 0.292 414 G C -0.014 174.868 174.900 -0.029 0.000 1.059 414 G CA 0.405 45.488 45.100 -0.028 0.000 0.982 414 G HN 0.307 nan 8.290 nan 0.000 0.505 415 V N -2.785 117.106 119.914 -0.038 0.000 3.102 415 V HA 1.032 5.152 4.120 0.000 0.000 0.312 415 V C 0.776 176.839 176.094 -0.050 0.000 1.135 415 V CA -0.389 61.886 62.300 -0.041 0.000 1.022 415 V CB 1.795 33.591 31.823 -0.044 0.000 1.056 415 V HN 1.279 nan 8.190 nan 0.000 0.436 416 G N 0.566 109.338 108.800 -0.046 0.000 2.504 416 G HA2 0.581 4.541 3.960 0.000 0.000 0.288 416 G HA3 0.581 4.541 3.960 0.000 0.000 0.288 416 G C -1.243 173.607 174.900 -0.084 0.000 1.182 416 G CA -1.085 43.984 45.100 -0.052 0.000 0.894 416 G HN 0.701 nan 8.290 nan 0.000 0.521 417 P HA -0.121 nan 4.420 nan 0.000 0.221 417 P C 0.842 178.047 177.300 -0.158 0.000 1.145 417 P CA 1.121 64.106 63.100 -0.191 0.000 0.795 417 P CB 0.316 31.895 31.700 -0.203 0.000 0.775 418 E N 0.872 121.061 120.200 -0.019 0.000 2.265 418 E HA -0.084 4.266 4.350 0.000 0.000 0.196 418 E C 2.240 178.880 176.600 0.067 0.000 0.996 418 E CA 1.235 57.709 56.400 0.125 0.000 0.832 418 E CB -1.203 28.565 29.700 0.112 0.000 0.756 418 E HN 0.255 nan 8.360 nan 0.000 0.491 419 A N 0.953 123.748 122.820 -0.042 0.000 2.070 419 A HA -0.126 4.194 4.320 0.000 0.000 0.220 419 A C 2.068 179.584 177.584 -0.114 0.000 1.159 419 A CA 0.934 52.938 52.037 -0.056 0.000 0.656 419 A CB -0.628 18.332 19.000 -0.068 0.000 0.800 419 A HN 0.250 nan 8.150 nan 0.000 0.453 420 L N -1.810 119.246 121.223 -0.277 0.000 2.191 420 L HA -0.088 4.252 4.340 0.000 0.000 0.212 420 L C 0.395 177.010 176.870 -0.424 0.000 1.103 420 L CA 0.383 54.961 54.840 -0.436 0.000 0.769 420 L CB -0.411 41.234 42.059 -0.689 0.000 0.908 420 L HN 0.344 nan 8.230 nan 0.000 0.438 421 F N 0.939 120.873 119.950 -0.027 0.000 2.659 421 F HA 0.162 4.689 4.527 0.000 0.000 0.360 421 F C 0.790 176.636 175.800 0.078 0.000 1.218 421 F CA -0.261 57.780 58.000 0.067 0.000 1.317 421 F CB -0.695 38.369 39.000 0.107 0.000 1.697 421 F HN 0.011 nan 8.300 nan 0.000 0.637 422 S N -2.213 113.580 115.700 0.155 0.000 2.636 422 S HA 0.252 4.722 4.470 0.000 0.000 0.266 422 S C 0.526 175.201 174.600 0.124 0.000 1.147 422 S CA -0.667 57.625 58.200 0.153 0.000 0.815 422 S CB 1.080 64.349 63.200 0.115 0.000 1.119 422 S HN -0.008 nan 8.310 nan 0.000 0.470 423 T N 1.212 115.891 114.554 0.208 0.000 2.720 423 T HA -0.068 4.282 4.350 0.000 0.000 0.268 423 T C 1.740 176.559 174.700 0.199 0.000 1.037 423 T CA 1.800 64.030 62.100 0.216 0.000 1.144 423 T CB -0.639 68.501 68.868 0.453 0.000 0.864 423 T HN 0.520 nan 8.240 nan 0.000 0.444 424 L N 0.510 121.877 121.223 0.239 0.000 2.056 424 L HA 0.030 4.370 4.340 0.000 0.000 0.207 424 L C 2.636 179.524 176.870 0.031 0.000 1.078 424 L CA 1.596 56.524 54.840 0.146 0.000 0.749 424 L CB -0.757 41.411 42.059 0.181 0.000 0.901 424 L HN 0.348 nan 8.230 nan 0.000 0.433 425 G N -0.635 108.166 108.800 0.002 0.000 2.422 425 G HA2 -0.306 3.654 3.960 0.000 0.000 0.218 425 G HA3 -0.306 3.654 3.960 0.000 0.000 0.218 425 G C 1.700 176.536 174.900 -0.105 0.000 1.146 425 G CA 0.785 45.830 45.100 -0.091 0.000 0.769 425 G HN 0.369 nan 8.290 nan 0.000 0.547 426 R N -0.239 120.221 120.500 -0.066 0.000 2.075 426 R HA -0.057 4.283 4.340 0.000 0.000 0.232 426 R C 2.628 178.897 176.300 -0.052 0.000 1.126 426 R CA 1.797 57.847 56.100 -0.084 0.000 0.963 426 R CB -0.398 29.820 30.300 -0.137 0.000 0.858 426 R HN 0.326 nan 8.270 nan 0.000 0.435 427 T N 0.370 114.934 114.554 0.017 0.000 2.777 427 T HA -0.071 4.279 4.350 0.000 0.000 0.266 427 T C 1.784 176.466 174.700 -0.030 0.000 1.040 427 T CA 1.244 63.394 62.100 0.084 0.000 1.141 427 T CB -0.212 68.742 68.868 0.144 0.000 0.868 427 T HN 0.424 nan 8.240 nan 0.000 0.444 428 A N 1.454 124.219 122.820 -0.091 0.000 1.898 428 A HA 0.231 4.551 4.320 0.000 0.000 0.216 428 A C 2.639 180.119 177.584 -0.172 0.000 1.181 428 A CA 1.659 53.602 52.037 -0.157 0.000 0.620 428 A CB -1.046 17.863 19.000 -0.151 0.000 0.819 428 A HN 0.493 nan 8.150 nan 0.000 0.442 429 A N -0.235 122.491 122.820 -0.158 0.000 1.933 429 A HA -0.159 4.161 4.320 0.000 0.000 0.218 429 A C 2.210 179.704 177.584 -0.150 0.000 1.175 429 A CA 1.720 53.657 52.037 -0.167 0.000 0.628 429 A CB -0.482 18.409 19.000 -0.182 0.000 0.814 429 A HN 0.569 nan 8.150 nan 0.000 0.444 430 R N -0.503 119.907 120.500 -0.150 0.000 2.081 430 R HA -0.106 4.234 4.340 0.000 0.000 0.235 430 R C 2.216 178.434 176.300 -0.136 0.000 1.131 430 R CA 1.642 57.610 56.100 -0.221 0.000 0.960 430 R CB -0.660 29.502 30.300 -0.229 0.000 0.856 430 R HN 0.444 nan 8.270 nan 0.000 0.436 431 G N 0.943 109.639 108.800 -0.173 0.000 2.404 431 G HA2 -0.220 3.740 3.960 0.000 0.000 0.215 431 G HA3 -0.220 3.740 3.960 0.000 0.000 0.215 431 G C 1.470 176.222 174.900 -0.248 0.000 1.174 431 G CA 0.898 45.772 45.100 -0.376 0.000 0.780 431 G HN 0.274 nan 8.290 nan 0.000 0.537 432 I N 0.616 121.075 120.570 -0.184 0.000 2.151 432 I HA -0.214 3.956 4.170 0.000 0.000 0.243 432 I C 2.673 178.773 176.117 -0.028 0.000 1.080 432 I CA 1.719 62.952 61.300 -0.112 0.000 1.339 432 I CB -0.240 37.694 38.000 -0.110 0.000 1.039 432 I HN 0.318 nan 8.210 nan 0.000 0.409 433 E N 0.563 120.754 120.200 -0.015 0.000 2.085 433 E HA -0.226 4.124 4.350 0.000 0.000 0.194 433 E C 2.039 178.751 176.600 0.187 0.000 0.994 433 E CA 2.012 58.445 56.400 0.055 0.000 0.801 433 E CB 0.050 29.777 29.700 0.044 0.000 0.743 433 E HN 0.442 nan 8.360 nan 0.000 0.453 434 T N 0.513 115.214 114.554 0.245 0.000 2.746 434 T HA -0.117 4.233 4.350 0.000 0.000 0.267 434 T C 1.865 176.695 174.700 0.216 0.000 1.039 434 T CA 1.243 63.544 62.100 0.334 0.000 1.142 434 T CB -0.290 68.853 68.868 0.459 0.000 0.866 434 T HN 0.339 nan 8.240 nan 0.000 0.444 435 A N 1.709 124.592 122.820 0.105 0.000 1.873 435 A HA -0.041 4.279 4.320 0.000 0.000 0.215 435 A C 2.702 180.369 177.584 0.139 0.000 1.186 435 A CA 1.799 53.883 52.037 0.079 0.000 0.616 435 A CB -1.082 17.910 19.000 -0.013 0.000 0.823 435 A HN 0.479 nan 8.150 nan 0.000 0.442 436 V N -1.629 118.384 119.914 0.165 0.000 2.358 436 V HA -0.194 3.926 4.120 0.000 0.000 0.246 436 V C 2.221 178.488 176.094 0.288 0.000 1.047 436 V CA 1.981 64.424 62.300 0.239 0.000 1.035 436 V CB -0.899 31.094 31.823 0.283 0.000 0.658 436 V HN 0.473 nan 8.190 nan 0.000 0.452 437 I N 1.177 121.921 120.570 0.289 0.000 2.315 437 I HA -0.127 4.043 4.170 0.000 0.000 0.248 437 I C 2.994 179.237 176.117 0.210 0.000 1.117 437 I CA 1.489 62.927 61.300 0.230 0.000 1.404 437 I CB -0.693 37.417 38.000 0.184 0.000 1.071 437 I HN 0.397 nan 8.210 nan 0.000 0.419 438 A N 0.337 123.316 122.820 0.265 0.000 1.908 438 A HA -0.283 4.037 4.320 0.000 0.000 0.218 438 A C 2.339 180.192 177.584 0.448 0.000 1.181 438 A CA 2.062 54.314 52.037 0.359 0.000 0.627 438 A CB -0.620 18.534 19.000 0.256 0.000 0.818 438 A HN 0.512 nan 8.150 nan 0.000 0.445 439 E N -1.924 118.457 120.200 0.302 0.000 2.107 439 E HA -0.202 4.148 4.350 0.000 0.000 0.191 439 E C 1.821 178.537 176.600 0.194 0.000 0.982 439 E CA 1.066 57.641 56.400 0.291 0.000 0.809 439 E CB -0.270 29.556 29.700 0.210 0.000 0.756 439 E HN 0.672 nan 8.360 nan 0.000 0.459 440 Y N 0.813 121.072 120.300 -0.068 0.000 2.293 440 Y HA -0.163 4.387 4.550 0.000 0.000 0.291 440 Y C 2.042 177.700 175.900 -0.403 0.000 1.137 440 Y CA 0.870 58.753 58.100 -0.363 0.000 1.202 440 Y CB -0.213 37.816 38.460 -0.718 0.000 0.990 440 Y HN -0.099 nan 8.280 nan 0.000 0.537 441 V N -0.326 119.358 119.914 -0.384 0.000 2.392 441 V HA -0.308 3.812 4.120 0.000 0.000 0.249 441 V C 2.564 178.144 176.094 -0.855 0.000 1.059 441 V CA 1.932 63.885 62.300 -0.578 0.000 1.051 441 V CB -1.472 30.096 31.823 -0.425 0.000 0.658 441 V HN 0.597 nan 8.190 nan 0.000 0.455 442 G N -0.465 107.827 108.800 -0.847 0.000 2.422 442 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 442 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 442 G C 1.635 176.250 174.900 -0.474 0.000 1.146 442 G CA 1.188 45.764 45.100 -0.872 0.000 0.769 442 G HN 0.407 nan 8.290 nan 0.000 0.547 443 V N 0.988 120.641 119.914 -0.435 0.000 2.307 443 V HA -0.159 3.961 4.120 0.000 0.000 0.245 443 V C 2.883 178.689 176.094 -0.480 0.000 1.045 443 V CA 1.923 63.989 62.300 -0.391 0.000 1.024 443 V CB -0.428 31.174 31.823 -0.368 0.000 0.651 443 V HN 0.347 nan 8.190 nan 0.000 0.449 444 M N -0.866 118.300 119.600 -0.722 0.000 2.108 444 M HA -0.209 4.271 4.480 0.000 0.000 0.261 444 M C 2.264 178.344 176.300 -0.366 0.000 1.066 444 M CA 1.865 56.858 55.300 -0.513 0.000 1.107 444 M CB -0.447 31.817 32.600 -0.560 0.000 1.356 444 M HN 0.295 nan 8.290 nan 0.000 0.406 445 L N -0.083 120.911 121.223 -0.382 0.000 2.012 445 L HA -0.280 4.060 4.340 0.000 0.000 0.210 445 L C 2.609 179.356 176.870 -0.206 0.000 1.073 445 L CA 1.667 56.358 54.840 -0.248 0.000 0.748 445 L CB -0.377 41.507 42.059 -0.292 0.000 0.891 445 L HN 0.332 nan 8.230 nan 0.000 0.431 446 Q N 0.366 120.029 119.800 -0.228 0.000 2.084 446 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 446 Q C 1.912 177.786 176.000 -0.210 0.000 0.978 446 Q CA 1.918 57.615 55.803 -0.176 0.000 0.844 446 Q CB -0.069 28.589 28.738 -0.134 0.000 0.898 446 Q HN 0.479 nan 8.270 nan 0.000 0.426 447 E N -1.170 118.877 120.200 -0.256 0.000 2.077 447 E HA -0.225 4.125 4.350 0.000 0.000 0.193 447 E C 1.814 178.073 176.600 -0.568 0.000 0.989 447 E CA 1.232 57.451 56.400 -0.302 0.000 0.800 447 E CB -0.356 29.235 29.700 -0.182 0.000 0.746 447 E HN 0.552 nan 8.360 nan 0.000 0.452 448 Y N 1.889 121.650 120.300 -0.897 0.000 2.145 448 Y HA -0.241 4.309 4.550 0.000 0.000 0.286 448 Y C 2.145 177.777 175.900 -0.447 0.000 1.145 448 Y CA 1.449 59.009 58.100 -0.900 0.000 1.148 448 Y CB 0.163 38.217 38.460 -0.675 0.000 0.981 448 Y HN -0.142 nan 8.280 nan 0.000 0.507 449 K N 0.053 120.197 120.400 -0.427 0.000 2.063 449 K HA -0.209 4.111 4.320 0.000 0.000 0.208 449 K C 1.519 177.949 176.600 -0.284 0.000 1.048 449 K CA 1.817 57.878 56.287 -0.376 0.000 0.928 449 K CB -0.238 32.131 32.500 -0.218 0.000 0.713 449 K HN 0.400 nan 8.250 nan 0.000 0.442 450 D N 0.221 120.487 120.400 -0.224 0.000 2.144 450 D HA -0.157 4.483 4.640 0.000 0.000 0.199 450 D C 1.581 177.802 176.300 -0.132 0.000 0.984 450 D CA 0.853 54.764 54.000 -0.148 0.000 0.834 450 D CB -0.391 40.344 40.800 -0.108 0.000 0.955 450 D HN 0.257 nan 8.370 nan 0.000 0.465 451 N N 0.492 119.096 118.700 -0.162 0.000 2.142 451 N HA -0.091 4.649 4.740 0.000 0.000 0.186 451 N C 1.958 177.405 175.510 -0.105 0.000 1.023 451 N CA 0.519 53.522 53.050 -0.080 0.000 0.852 451 N CB 0.081 38.567 38.487 -0.000 0.000 0.998 451 N HN 0.124 nan 8.380 nan 0.000 0.424 452 I N 1.199 121.639 120.570 -0.216 0.000 2.286 452 I HA -0.207 3.963 4.170 0.000 0.000 0.248 452 I C 2.512 178.549 176.117 -0.133 0.000 1.115 452 I CA 0.861 62.038 61.300 -0.206 0.000 1.392 452 I CB -0.377 37.410 38.000 -0.355 0.000 1.065 452 I HN 0.143 nan 8.210 nan 0.000 0.418 453 A N 0.947 123.687 122.820 -0.133 0.000 1.978 453 A HA -0.213 4.107 4.320 0.000 0.000 0.220 453 A C 2.235 179.784 177.584 -0.057 0.000 1.170 453 A CA 1.524 53.508 52.037 -0.089 0.000 0.636 453 A CB -0.433 18.515 19.000 -0.086 0.000 0.810 453 A HN 0.370 nan 8.150 nan 0.000 0.448 454 K N -1.742 118.629 120.400 -0.049 0.000 2.365 454 K HA 0.126 4.446 4.320 0.000 0.000 0.199 454 K C 1.069 177.658 176.600 -0.018 0.000 1.045 454 K CA 0.583 56.855 56.287 -0.026 0.000 0.962 454 K CB -0.105 32.387 32.500 -0.013 0.000 0.759 454 K HN 0.715 nan 8.250 nan 0.000 0.469 455 G N 2.320 111.106 108.800 -0.025 0.000 2.143 455 G HA2 -0.188 3.772 3.960 0.000 0.000 0.175 455 G HA3 -0.188 3.772 3.960 0.000 0.000 0.175 455 G C -0.705 174.195 174.900 0.000 0.000 1.004 455 G CA -0.148 44.944 45.100 -0.013 0.000 0.671 455 G HN 0.320 nan 8.290 nan 0.000 0.512 456 D N 1.055 121.456 120.400 0.001 0.000 2.347 456 D HA 0.377 5.017 4.640 0.000 0.000 0.235 456 D C 1.106 177.422 176.300 0.027 0.000 1.149 456 D CA -0.178 53.837 54.000 0.025 0.000 0.850 456 D CB -0.325 40.501 40.800 0.044 0.000 1.061 456 D HN 0.548 nan 8.370 nan 0.000 0.487 457 N N 2.235 120.962 118.700 0.046 0.000 2.282 457 N HA 0.123 4.863 4.740 0.000 0.000 0.240 457 N C -0.854 174.720 175.510 0.108 0.000 1.182 457 N CA -0.581 52.508 53.050 0.066 0.000 0.874 457 N CB 0.719 39.245 38.487 0.064 0.000 1.126 457 N HN -0.018 nan 8.380 nan 0.000 0.516 458 V N 2.130 122.101 119.914 0.095 0.000 2.509 458 V HA 0.255 4.375 4.120 0.000 0.000 0.284 458 V C 1.039 177.174 176.094 0.068 0.000 1.047 458 V CA -0.618 61.745 62.300 0.106 0.000 0.952 458 V CB 1.225 33.104 31.823 0.094 0.000 0.988 458 V HN 0.434 nan 8.190 nan 0.000 0.469 459 I N 0.634 121.219 120.570 0.025 0.000 4.439 459 I HA 0.510 4.680 4.170 0.000 0.000 0.331 459 I C 0.223 176.321 176.117 -0.032 0.000 1.345 459 I CA 0.101 61.369 61.300 -0.054 0.000 1.193 459 I CB 0.813 38.682 38.000 -0.217 0.000 1.221 459 I HN 0.570 nan 8.210 nan 0.000 0.429 460 C N 1.978 121.298 119.300 0.034 0.000 2.880 460 C HA 0.857 5.317 4.460 0.000 0.000 0.320 460 C C -0.303 174.759 174.990 0.120 0.000 1.176 460 C CA 0.009 59.073 59.018 0.076 0.000 1.390 460 C CB 1.181 28.976 27.740 0.091 0.000 1.846 460 C HN 0.511 nan 8.230 nan 0.000 0.478 461 A N 6.167 129.073 122.820 0.143 0.000 2.355 461 A HA 0.959 5.279 4.320 0.000 0.000 0.324 461 A C -2.697 175.029 177.584 0.237 0.000 1.117 461 A CA -1.088 51.047 52.037 0.163 0.000 0.785 461 A CB 1.051 20.140 19.000 0.150 0.000 1.254 461 A HN 0.772 nan 8.150 nan 0.000 0.453 462 P HA 0.371 nan 4.420 nan 0.000 0.274 462 P C -0.801 176.665 177.300 0.276 0.000 1.231 462 P CA 0.042 63.239 63.100 0.162 0.000 0.790 462 P CB 0.605 32.347 31.700 0.069 0.000 0.951 463 W N -0.089 121.238 121.300 0.046 0.000 2.961 463 W HA 0.603 5.263 4.660 0.000 0.000 0.368 463 W C -1.715 174.828 176.519 0.040 0.000 1.213 463 W CA -0.903 56.470 57.345 0.046 0.000 1.173 463 W CB 0.958 30.447 29.460 0.049 0.000 1.487 463 W HN 0.298 nan 8.180 nan 0.000 0.585 464 E N 1.098 121.494 120.200 0.325 0.000 2.308 464 E HA 0.331 4.681 4.350 0.000 0.000 0.275 464 E C -1.102 175.716 176.600 0.364 0.000 0.890 464 E CA -1.119 55.338 56.400 0.095 0.000 0.754 464 E CB 2.940 32.671 29.700 0.052 0.000 1.207 464 E HN 0.296 nan 8.360 nan 0.000 0.426 465 M N 5.019 124.773 119.600 0.256 0.000 2.194 465 M HA 0.250 4.730 4.480 0.000 0.000 0.347 465 M C -2.289 174.120 176.300 0.182 0.000 1.439 465 M CA -1.639 53.870 55.300 0.348 0.000 1.131 465 M CB 0.322 33.098 32.600 0.293 0.000 1.733 465 M HN 0.255 nan 8.290 nan 0.000 0.467 466 P HA 0.220 nan 4.420 nan 0.000 0.274 466 P C -0.537 176.809 177.300 0.077 0.000 1.246 466 P CA -0.236 62.922 63.100 0.097 0.000 0.795 466 P CB 0.959 32.708 31.700 0.082 0.000 1.006 467 K N -0.464 119.966 120.400 0.051 0.000 2.137 467 K HA 0.002 4.322 4.320 0.000 0.000 0.202 467 K C 1.017 177.635 176.600 0.030 0.000 1.052 467 K CA 1.205 57.516 56.287 0.040 0.000 0.961 467 K CB 0.181 32.698 32.500 0.028 0.000 0.741 467 K HN 0.501 nan 8.250 nan 0.000 0.452 468 Q N -0.799 119.013 119.800 0.020 0.000 2.305 468 Q HA 0.621 4.961 4.340 0.000 0.000 0.271 468 Q C -1.845 174.149 176.000 -0.010 0.000 1.046 468 Q CA -0.699 55.105 55.803 0.001 0.000 0.798 468 Q CB 1.980 30.712 28.738 -0.009 0.000 1.286 468 Q HN 0.159 nan 8.270 nan 0.000 0.435 469 A N 2.999 125.803 122.820 -0.027 0.000 2.515 469 A HA 0.627 4.947 4.320 0.000 0.000 0.292 469 A C -1.952 175.572 177.584 -0.099 0.000 1.065 469 A CA -0.762 51.244 52.037 -0.051 0.000 0.641 469 A CB 1.446 20.442 19.000 -0.008 0.000 1.306 469 A HN 0.793 nan 8.150 nan 0.000 0.441 470 E N -0.260 119.851 120.200 -0.149 0.000 2.340 470 E HA 0.746 5.096 4.350 0.000 0.000 0.273 470 E C -0.178 176.399 176.600 -0.037 0.000 0.891 470 E CA -0.646 55.608 56.400 -0.242 0.000 0.757 470 E CB 2.258 31.513 29.700 -0.742 0.000 1.231 470 E HN 1.607 nan 8.360 nan 0.000 0.439 471 G N 0.193 109.113 108.800 0.202 0.000 2.660 471 G HA2 0.563 4.523 3.960 0.000 0.000 0.290 471 G HA3 0.563 4.523 3.960 0.000 0.000 0.290 471 G C -1.715 173.295 174.900 0.184 0.000 1.432 471 G CA -0.510 44.705 45.100 0.191 0.000 0.807 471 G HN 0.676 nan 8.290 nan 0.000 0.485 472 V N -0.669 119.138 119.914 -0.178 0.000 2.969 472 V HA 0.908 5.028 4.120 0.000 0.000 0.304 472 V C -0.253 175.345 176.094 -0.828 0.000 1.192 472 V CA 0.280 62.123 62.300 -0.761 0.000 0.962 472 V CB 2.111 33.088 31.823 -1.411 0.000 1.045 472 V HN 1.667 nan 8.190 nan 0.000 0.428 473 G N 4.304 112.528 108.800 -0.961 0.000 2.513 473 G HA2 0.747 4.707 3.960 0.000 0.000 0.317 473 G HA3 0.747 4.707 3.960 0.000 0.000 0.317 473 G C -1.657 172.706 174.900 -0.895 0.000 1.277 473 G CA -0.509 44.149 45.100 -0.737 0.000 0.955 473 G HN 0.559 nan 8.290 nan 0.000 0.484 474 F N 1.240 120.989 119.950 -0.336 0.000 2.507 474 F HA 0.612 5.139 4.527 0.000 0.000 0.325 474 F C -0.046 175.666 175.800 -0.148 0.000 1.116 474 F CA -0.897 56.959 58.000 -0.240 0.000 0.930 474 F CB 2.895 41.718 39.000 -0.295 0.000 1.146 474 F HN 0.237 nan 8.300 nan 0.000 0.447 475 V N 3.001 122.990 119.914 0.125 0.000 2.760 475 V HA 0.306 4.426 4.120 0.000 0.000 0.309 475 V C -0.825 175.298 176.094 0.048 0.000 1.077 475 V CA -1.017 61.281 62.300 -0.002 0.000 0.910 475 V CB 2.179 33.899 31.823 -0.172 0.000 1.008 475 V HN 0.720 nan 8.190 nan 0.000 0.424 476 N N 3.032 121.734 118.700 0.003 0.000 2.589 476 N HA 0.520 5.260 4.740 0.000 0.000 0.232 476 N C -0.042 175.463 175.510 -0.008 0.000 1.015 476 N CA -0.030 53.001 53.050 -0.031 0.000 0.931 476 N CB 1.701 40.176 38.487 -0.020 0.000 1.150 476 N HN 0.884 nan 8.380 nan 0.000 0.512 477 A N 4.114 126.866 122.820 -0.114 0.000 2.280 477 A HA 0.387 4.707 4.320 0.000 0.000 0.268 477 A C -1.374 176.000 177.584 -0.349 0.000 1.111 477 A CA -1.042 50.851 52.037 -0.241 0.000 0.814 477 A CB -0.015 18.858 19.000 -0.211 0.000 1.093 477 A HN 0.431 nan 8.150 nan 0.000 0.498 478 P HA -0.081 nan 4.420 nan 0.000 0.221 478 P C 0.872 178.158 177.300 -0.023 0.000 1.145 478 P CA 1.282 64.085 63.100 -0.495 0.000 0.795 478 P CB 0.112 31.495 31.700 -0.529 0.000 0.775 479 R N -1.912 118.557 120.500 -0.052 0.000 2.362 479 R HA 0.427 4.767 4.340 0.000 0.000 0.227 479 R C 0.965 177.258 176.300 -0.011 0.000 0.905 479 R CA 0.350 56.457 56.100 0.012 0.000 1.067 479 R CB 0.538 30.859 30.300 0.035 0.000 1.078 479 R HN 0.176 nan 8.270 nan 0.000 0.516 480 G N -0.577 108.179 108.800 -0.072 0.000 2.293 480 G HA2 -0.045 3.915 3.960 0.000 0.000 0.282 480 G HA3 -0.045 3.915 3.960 0.000 0.000 0.282 480 G C -0.818 173.903 174.900 -0.299 0.000 1.299 480 G CA -0.785 44.212 45.100 -0.171 0.000 1.018 480 G HN 0.149 nan 8.290 nan 0.000 0.478 481 G N -0.261 108.160 108.800 -0.632 0.000 2.367 481 G HA2 0.609 4.569 3.960 0.000 0.000 0.280 481 G HA3 0.609 4.569 3.960 0.000 0.000 0.280 481 G C -0.274 174.382 174.900 -0.407 0.000 1.175 481 G CA 0.577 44.959 45.100 -1.196 0.000 1.001 481 G HN 1.396 nan 8.290 nan 0.000 0.437 482 L N 3.267 124.529 121.223 0.065 0.000 2.329 482 L HA 0.813 5.154 4.340 0.000 0.000 0.279 482 L C 0.067 177.181 176.870 0.408 0.000 1.014 482 L CA -0.583 54.403 54.840 0.243 0.000 0.814 482 L CB 2.170 44.216 42.059 -0.022 0.000 1.257 482 L HN 0.509 nan 8.230 nan 0.000 0.424 483 S N 2.332 118.261 115.700 0.381 0.000 2.575 483 S HA 0.588 5.058 4.470 0.000 0.000 0.278 483 S C -1.025 173.619 174.600 0.074 0.000 1.139 483 S CA -0.740 57.477 58.200 0.028 0.000 0.954 483 S CB 0.854 64.097 63.200 0.072 0.000 1.054 483 S HN 0.786 nan 8.310 nan 0.000 0.483 484 H N 0.834 119.611 119.070 -0.488 0.000 2.495 484 H HA 0.472 5.028 4.556 0.000 0.000 0.348 484 H C -1.490 173.385 175.328 -0.754 0.000 1.113 484 H CA -0.690 55.147 56.048 -0.352 0.000 1.195 484 H CB 1.239 30.914 29.762 -0.146 0.000 1.521 484 H HN 0.618 nan 8.280 nan 0.000 0.509 485 W N 4.109 125.077 121.300 -0.552 0.000 2.683 485 W HA 0.503 5.163 4.660 0.000 0.000 0.329 485 W C -0.676 175.500 176.519 -0.572 0.000 1.037 485 W CA -0.544 56.492 57.345 -0.516 0.000 1.232 485 W CB 1.205 30.334 29.460 -0.552 0.000 1.390 485 W HN 0.315 nan 8.180 nan 0.000 0.465 486 I N 3.224 123.768 120.570 -0.043 0.000 2.689 486 I HA 0.554 4.724 4.170 0.000 0.000 0.299 486 I C -0.649 175.558 176.117 0.150 0.000 1.059 486 I CA -1.425 59.833 61.300 -0.069 0.000 1.055 486 I CB 1.765 39.708 38.000 -0.095 0.000 1.243 486 I HN 0.505 nan 8.210 nan 0.000 0.425 487 R N 8.231 128.792 120.500 0.102 0.000 2.371 487 R HA 0.536 4.876 4.340 0.000 0.000 0.312 487 R C -1.738 174.589 176.300 0.044 0.000 0.980 487 R CA -0.559 55.561 56.100 0.034 0.000 0.867 487 R CB 0.956 31.279 30.300 0.038 0.000 1.163 487 R HN 0.615 nan 8.270 nan 0.000 0.492 488 I N 3.325 123.909 120.570 0.024 0.000 2.342 488 I HA 0.228 4.398 4.170 0.000 0.000 0.291 488 I C -0.224 175.905 176.117 0.021 0.000 1.010 488 I CA -0.394 60.930 61.300 0.040 0.000 1.308 488 I CB 1.637 39.665 38.000 0.048 0.000 1.400 488 I HN 0.582 nan 8.210 nan 0.000 0.488 489 E N 5.663 125.881 120.200 0.029 0.000 2.241 489 E HA 0.210 4.560 4.350 0.000 0.000 0.263 489 E C -0.485 176.130 176.600 0.025 0.000 0.882 489 E CA -0.408 56.004 56.400 0.019 0.000 0.769 489 E CB 1.007 30.717 29.700 0.015 0.000 1.185 489 E HN 0.511 nan 8.360 nan 0.000 0.415 490 D N 3.880 124.293 120.400 0.022 0.000 2.772 490 D HA -0.196 4.444 4.640 0.000 0.000 0.233 490 D C 0.754 177.074 176.300 0.034 0.000 1.143 490 D CA 2.445 56.460 54.000 0.024 0.000 0.700 490 D CB -1.214 39.598 40.800 0.020 0.000 1.076 490 D HN 1.044 nan 8.370 nan 0.000 0.430 491 G N -0.880 107.946 108.800 0.044 0.000 2.189 491 G HA2 -0.382 3.578 3.960 0.000 0.000 0.267 491 G HA3 -0.382 3.578 3.960 0.000 0.000 0.267 491 G C 0.429 175.368 174.900 0.066 0.000 0.975 491 G CA 1.088 46.225 45.100 0.061 0.000 0.644 491 G HN 0.675 nan 8.290 nan 0.000 0.537 492 K N -0.728 119.704 120.400 0.053 0.000 2.313 492 K HA 0.727 5.047 4.320 0.000 0.000 0.235 492 K C 0.410 177.045 176.600 0.057 0.000 1.035 492 K CA -1.202 55.115 56.287 0.051 0.000 0.868 492 K CB 1.536 34.057 32.500 0.035 0.000 1.232 492 K HN 0.078 nan 8.250 nan 0.000 0.459 493 I N 2.638 123.241 120.570 0.055 0.000 2.471 493 I HA -0.040 4.130 4.170 0.000 0.000 0.294 493 I C 1.207 177.364 176.117 0.067 0.000 1.123 493 I CA 0.257 61.607 61.300 0.083 0.000 1.336 493 I CB 0.338 38.380 38.000 0.070 0.000 1.430 493 I HN 0.923 nan 8.210 nan 0.000 0.533 494 G N 5.574 114.417 108.800 0.072 0.000 2.395 494 G HA2 -0.112 3.848 3.960 0.000 0.000 0.214 494 G HA3 -0.112 3.848 3.960 0.000 0.000 0.214 494 G C 0.564 175.506 174.900 0.070 0.000 1.177 494 G CA 0.448 45.581 45.100 0.055 0.000 0.794 494 G HN 0.543 nan 8.290 nan 0.000 0.532 495 N N -1.835 116.926 118.700 0.101 0.000 2.367 495 N HA 0.447 5.187 4.740 0.000 0.000 0.278 495 N C -2.443 173.173 175.510 0.176 0.000 1.117 495 N CA -0.911 52.210 53.050 0.118 0.000 0.867 495 N CB 1.836 40.379 38.487 0.093 0.000 1.649 495 N HN -0.068 nan 8.380 nan 0.000 0.479 496 F N 2.049 122.023 119.950 0.041 0.000 2.585 496 F HA 0.472 4.999 4.527 0.000 0.000 0.319 496 F C -1.116 174.693 175.800 0.014 0.000 1.165 496 F CA -0.355 57.665 58.000 0.033 0.000 0.949 496 F CB 1.388 40.369 39.000 -0.031 0.000 1.218 496 F HN 0.253 nan 8.300 nan 0.000 0.453 497 Q N 5.903 125.702 119.800 -0.002 0.000 2.347 497 Q HA 0.526 4.866 4.340 0.000 0.000 0.271 497 Q C -1.627 174.398 176.000 0.040 0.000 1.064 497 Q CA -0.980 54.852 55.803 0.048 0.000 0.800 497 Q CB 3.162 31.870 28.738 -0.049 0.000 1.304 497 Q HN 0.594 nan 8.270 nan 0.000 0.438 498 L N 1.461 122.684 121.223 0.000 0.000 2.307 498 L HA 0.559 4.899 4.340 0.000 0.000 0.284 498 L C -0.417 176.481 176.870 0.046 0.000 1.023 498 L CA -0.671 54.105 54.840 -0.107 0.000 0.810 498 L CB 1.888 43.596 42.059 -0.585 0.000 1.231 498 L HN 0.278 nan 8.230 nan 0.000 0.423 499 V N 3.912 123.960 119.914 0.223 0.000 2.380 499 V HA 0.534 4.654 4.120 0.000 0.000 0.286 499 V C -0.255 176.049 176.094 0.349 0.000 1.015 499 V CA -0.727 61.719 62.300 0.243 0.000 0.834 499 V CB 1.742 33.740 31.823 0.291 0.000 1.009 499 V HN 0.534 nan 8.190 nan 0.000 0.428 500 V N 4.742 124.837 119.914 0.302 0.000 2.850 500 V HA 0.624 4.744 4.120 0.000 0.000 0.315 500 V C -1.764 174.548 176.094 0.362 0.000 1.064 500 V CA -1.874 60.626 62.300 0.332 0.000 0.979 500 V CB 2.384 34.413 31.823 0.344 0.000 1.039 500 V HN 0.511 nan 8.190 nan 0.000 0.452 501 P HA -0.154 nan 4.420 nan 0.000 0.216 501 P C 1.894 179.348 177.300 0.256 0.000 1.167 501 P CA 2.551 65.795 63.100 0.240 0.000 0.914 501 P CB 0.068 31.820 31.700 0.087 0.000 0.793 502 S N -1.475 114.344 115.700 0.198 0.000 2.419 502 S HA -0.121 4.349 4.470 0.000 0.000 0.233 502 S C 1.797 176.483 174.600 0.144 0.000 1.016 502 S CA 1.726 60.022 58.200 0.160 0.000 0.974 502 S CB -1.284 62.006 63.200 0.150 0.000 0.786 502 S HN 0.330 nan 8.310 nan 0.000 0.492 503 T N 0.585 115.232 114.554 0.155 0.000 2.746 503 T HA -0.124 4.226 4.350 0.000 0.000 0.267 503 T C 1.337 176.043 174.700 0.010 0.000 1.039 503 T CA 1.131 63.267 62.100 0.059 0.000 1.142 503 T CB -0.399 68.478 68.868 0.014 0.000 0.866 503 T HN 0.540 nan 8.240 nan 0.000 0.444 504 W N 1.763 123.099 121.300 0.060 0.000 2.333 504 W HA -0.169 4.491 4.660 0.000 0.000 0.316 504 W C 3.087 179.592 176.519 -0.023 0.000 1.215 504 W CA 1.684 59.047 57.345 0.029 0.000 1.278 504 W CB -0.874 28.593 29.460 0.012 0.000 1.154 504 W HN 0.339 nan 8.180 nan 0.000 0.486 505 T N -2.756 111.913 114.554 0.192 0.000 2.978 505 T HA -0.005 4.345 4.350 0.000 0.000 0.262 505 T C 1.467 176.091 174.700 -0.128 0.000 1.063 505 T CA 0.795 62.889 62.100 -0.010 0.000 1.140 505 T CB -0.289 68.555 68.868 -0.039 0.000 0.886 505 T HN -0.084 nan 8.240 nan 0.000 0.470 506 L N 1.124 122.320 121.223 -0.044 0.000 2.766 506 L HA 0.424 4.764 4.340 0.000 0.000 0.242 506 L C 1.530 178.400 176.870 -0.000 0.000 1.136 506 L CA 0.033 54.847 54.840 -0.043 0.000 0.933 506 L CB -0.981 41.081 42.059 0.005 0.000 1.241 506 L HN 0.396 nan 8.230 nan 0.000 0.522 507 G N 1.739 110.538 108.800 -0.001 0.000 2.699 507 G HA2 0.256 4.216 3.960 0.000 0.000 0.246 507 G HA3 0.256 4.216 3.960 0.000 0.000 0.246 507 G C -2.228 172.653 174.900 -0.032 0.000 1.219 507 G CA -0.349 44.739 45.100 -0.020 0.000 0.866 507 G HN 0.027 nan 8.290 nan 0.000 0.572 508 P HA 0.259 nan 4.420 nan 0.000 0.312 508 P C -0.217 177.062 177.300 -0.036 0.000 1.308 508 P CA -0.731 62.310 63.100 -0.097 0.000 0.743 508 P CB 1.060 32.443 31.700 -0.529 0.000 1.364 509 R N -1.052 119.453 120.500 0.009 0.000 2.679 509 R HA 0.230 4.570 4.340 0.000 0.000 0.269 509 R C 0.661 177.016 176.300 0.092 0.000 1.076 509 R CA -0.287 55.804 56.100 -0.015 0.000 1.160 509 R CB -0.284 29.918 30.300 -0.163 0.000 1.054 509 R HN 0.609 nan 8.270 nan 0.000 0.507 510 C N -0.624 118.686 119.300 0.017 0.000 2.534 510 C HA 0.303 4.763 4.460 0.000 0.000 0.398 510 C C 1.434 176.450 174.990 0.044 0.000 1.609 510 C CA -0.516 58.423 59.018 -0.133 0.000 1.916 510 C CB 0.459 27.819 27.740 -0.632 0.000 1.954 510 C HN 0.951 nan 8.230 nan 0.000 0.508 511 D N -0.582 119.815 120.400 -0.006 0.000 2.378 511 D HA -0.064 4.576 4.640 0.000 0.000 0.227 511 D C 1.071 177.412 176.300 0.068 0.000 1.012 511 D CA 0.856 54.906 54.000 0.084 0.000 0.905 511 D CB -0.586 40.318 40.800 0.173 0.000 0.895 511 D HN 0.739 nan 8.370 nan 0.000 0.532 512 K N -0.348 120.066 120.400 0.022 0.000 2.387 512 K HA 0.116 4.436 4.320 0.000 0.000 0.203 512 K C -0.191 176.436 176.600 0.044 0.000 1.030 512 K CA -0.348 55.957 56.287 0.029 0.000 1.099 512 K CB 0.232 32.732 32.500 0.001 0.000 0.863 512 K HN -0.157 nan 8.250 nan 0.000 0.529 513 N N 1.456 120.214 118.700 0.097 0.000 2.741 513 N HA -0.157 4.583 4.740 0.000 0.000 0.250 513 N C -1.085 174.416 175.510 -0.014 0.000 1.115 513 N CA 0.699 53.790 53.050 0.068 0.000 0.724 513 N CB -1.703 36.827 38.487 0.072 0.000 1.090 513 N HN 0.275 nan 8.380 nan 0.000 0.558 514 N N 0.506 119.191 118.700 -0.025 0.000 2.470 514 N HA 0.235 4.975 4.740 0.000 0.000 0.268 514 N C 0.636 176.119 175.510 -0.045 0.000 1.136 514 N CA -0.311 52.720 53.050 -0.032 0.000 0.961 514 N CB 1.037 39.509 38.487 -0.025 0.000 1.067 514 N HN 0.192 nan 8.380 nan 0.000 0.468 515 V N 0.158 120.040 119.914 -0.054 0.000 2.811 515 V HA 0.334 4.454 4.120 0.000 0.000 0.302 515 V C 0.918 176.986 176.094 -0.043 0.000 1.063 515 V CA -0.969 61.290 62.300 -0.068 0.000 1.088 515 V CB 0.499 32.263 31.823 -0.099 0.000 0.982 515 V HN 0.694 nan 8.190 nan 0.000 0.485 516 S N 2.867 118.542 115.700 -0.042 0.000 2.608 516 S HA 0.344 4.814 4.470 0.000 0.000 0.261 516 S C -1.608 172.953 174.600 -0.064 0.000 1.314 516 S CA -0.592 57.586 58.200 -0.037 0.000 0.992 516 S CB 0.535 63.712 63.200 -0.037 0.000 0.935 516 S HN 0.666 nan 8.310 nan 0.000 0.564 517 P HA -0.104 nan 4.420 nan 0.000 0.216 517 P C 1.499 178.676 177.300 -0.205 0.000 1.153 517 P CA 0.883 63.914 63.100 -0.115 0.000 0.858 517 P CB -0.161 31.459 31.700 -0.134 0.000 0.789 518 V N -0.227 119.450 119.914 -0.395 0.000 2.427 518 V HA -0.215 3.905 4.120 0.000 0.000 0.248 518 V C 2.218 178.252 176.094 -0.101 0.000 1.051 518 V CA 1.745 63.802 62.300 -0.404 0.000 1.048 518 V CB -1.219 30.331 31.823 -0.455 0.000 0.666 518 V HN 0.170 nan 8.190 nan 0.000 0.456 519 E N 0.650 120.795 120.200 -0.091 0.000 2.051 519 E HA -0.186 4.164 4.350 0.000 0.000 0.192 519 E C 2.358 178.928 176.600 -0.049 0.000 0.991 519 E CA 1.384 57.738 56.400 -0.076 0.000 0.799 519 E CB -0.355 29.278 29.700 -0.111 0.000 0.748 519 E HN 0.592 nan 8.360 nan 0.000 0.449 520 A N 1.356 124.157 122.820 -0.032 0.000 1.898 520 A HA -0.192 4.128 4.320 0.000 0.000 0.216 520 A C 2.315 179.936 177.584 0.062 0.000 1.181 520 A CA 1.851 53.889 52.037 0.002 0.000 0.620 520 A CB -0.661 18.341 19.000 0.003 0.000 0.819 520 A HN 0.327 nan 8.150 nan 0.000 0.442 521 S N -0.591 115.184 115.700 0.125 0.000 2.447 521 S HA -0.030 4.440 4.470 0.000 0.000 0.233 521 S C 1.640 176.358 174.600 0.197 0.000 1.006 521 S CA 1.127 59.461 58.200 0.222 0.000 0.957 521 S CB -0.327 63.131 63.200 0.430 0.000 0.773 521 S HN 0.264 nan 8.310 nan 0.000 0.507 522 L N 1.123 122.430 121.223 0.140 0.000 2.395 522 L HA 0.359 4.699 4.340 0.000 0.000 0.218 522 L C 0.832 177.741 176.870 0.064 0.000 1.130 522 L CA 0.633 55.539 54.840 0.111 0.000 0.826 522 L CB -1.078 41.027 42.059 0.077 0.000 0.941 522 L HN 0.402 nan 8.230 nan 0.000 0.451 523 I N -0.029 120.569 120.570 0.047 0.000 2.598 523 I HA 0.179 4.349 4.170 0.000 0.000 0.284 523 I C 1.395 177.534 176.117 0.037 0.000 1.140 523 I CA 0.762 62.076 61.300 0.023 0.000 1.420 523 I CB 0.412 38.416 38.000 0.007 0.000 1.387 523 I HN 0.370 nan 8.210 nan 0.000 0.553 524 G N 3.385 112.191 108.800 0.011 0.000 2.176 524 G HA2 -0.222 3.738 3.960 0.000 0.000 0.232 524 G HA3 -0.222 3.738 3.960 0.000 0.000 0.232 524 G C 0.330 175.178 174.900 -0.086 0.000 0.986 524 G CA -0.202 44.900 45.100 0.003 0.000 0.643 524 G HN 0.556 nan 8.290 nan 0.000 0.522 525 T N 4.239 118.732 114.554 -0.102 0.000 2.834 525 T HA 0.467 4.817 4.350 0.000 0.000 0.298 525 T C -1.821 172.729 174.700 -0.249 0.000 0.966 525 T CA -0.096 61.863 62.100 -0.235 0.000 1.141 525 T CB 1.778 70.613 68.868 -0.055 0.000 0.905 525 T HN 0.295 nan 8.240 nan 0.000 0.535 526 P HA 0.269 nan 4.420 nan 0.000 0.279 526 P C -0.797 176.449 177.300 -0.091 0.000 1.239 526 P CA -0.439 62.518 63.100 -0.238 0.000 0.789 526 P CB 1.133 32.641 31.700 -0.320 0.000 0.933 527 V N 3.238 123.145 119.914 -0.012 0.000 2.327 527 V HA 0.358 4.478 4.120 0.000 0.000 0.272 527 V C 1.265 177.384 176.094 0.042 0.000 1.019 527 V CA -0.141 62.177 62.300 0.029 0.000 0.814 527 V CB 0.469 32.309 31.823 0.028 0.000 1.040 527 V HN 0.703 nan 8.190 nan 0.000 0.440 528 A N 4.364 127.227 122.820 0.072 0.000 1.873 528 A HA -0.106 4.214 4.320 0.000 0.000 0.218 528 A C 1.177 178.759 177.584 -0.002 0.000 1.193 528 A CA 2.054 54.129 52.037 0.062 0.000 0.629 528 A CB -0.190 18.882 19.000 0.120 0.000 0.826 528 A HN 0.750 nan 8.150 nan 0.000 0.447 529 D N -3.446 116.931 120.400 -0.038 0.000 2.340 529 D HA 0.655 5.295 4.640 0.000 0.000 0.243 529 D C 0.336 176.554 176.300 -0.137 0.000 0.988 529 D CA 0.181 54.112 54.000 -0.115 0.000 0.959 529 D CB 1.949 42.630 40.800 -0.198 0.000 1.226 529 D HN 0.062 nan 8.370 nan 0.000 0.509 530 A N 1.686 124.365 122.820 -0.235 0.000 2.259 530 A HA 0.117 4.437 4.320 0.000 0.000 0.213 530 A C 1.480 178.887 177.584 -0.296 0.000 1.209 530 A CA 0.107 51.929 52.037 -0.359 0.000 0.910 530 A CB 0.153 18.651 19.000 -0.837 0.000 0.946 530 A HN 0.531 nan 8.150 nan 0.000 0.497 531 K N -0.219 120.039 120.400 -0.237 0.000 2.365 531 K HA 0.082 4.402 4.320 0.000 0.000 0.197 531 K C -0.036 176.421 176.600 -0.238 0.000 1.042 531 K CA 0.613 56.793 56.287 -0.179 0.000 0.987 531 K CB 0.168 32.595 32.500 -0.122 0.000 0.779 531 K HN 0.245 nan 8.250 nan 0.000 0.484 532 R N 1.248 121.528 120.500 -0.367 0.000 2.738 532 R HA 0.123 4.463 4.340 0.000 0.000 0.280 532 R C -2.551 173.308 176.300 -0.736 0.000 1.456 532 R CA -1.109 54.456 56.100 -0.891 0.000 1.612 532 R CB 0.700 30.734 30.300 -0.443 0.000 1.286 532 R HN -0.048 nan 8.270 nan 0.000 0.660 533 P HA -0.071 nan 4.420 nan 0.000 0.235 533 P C 0.953 178.216 177.300 -0.063 0.000 1.720 533 P CA 0.264 63.257 63.100 -0.177 0.000 1.003 533 P CB 0.558 32.209 31.700 -0.082 0.000 1.968 534 V N 1.775 121.642 119.914 -0.080 0.000 2.568 534 V HA -0.267 3.853 4.120 0.000 0.000 0.253 534 V C 1.983 178.027 176.094 -0.082 0.000 1.072 534 V CA 2.114 64.431 62.300 0.029 0.000 1.084 534 V CB -0.627 31.142 31.823 -0.091 0.000 0.676 534 V HN 0.170 nan 8.190 nan 0.000 0.469 535 E N 0.303 120.506 120.200 0.006 0.000 2.110 535 E HA -0.161 4.189 4.350 0.000 0.000 0.193 535 E C 1.992 178.681 176.600 0.149 0.000 0.988 535 E CA 1.888 58.388 56.400 0.167 0.000 0.804 535 E CB -0.304 29.566 29.700 0.283 0.000 0.745 535 E HN 0.668 nan 8.360 nan 0.000 0.458 536 I N 0.409 121.028 120.570 0.081 0.000 2.252 536 I HA -0.226 3.944 4.170 0.000 0.000 0.245 536 I C 1.780 177.902 176.117 0.008 0.000 1.102 536 I CA 0.620 61.962 61.300 0.070 0.000 1.385 536 I CB -0.190 37.843 38.000 0.055 0.000 1.064 536 I HN 0.157 nan 8.210 nan 0.000 0.414 537 L N 0.522 121.715 121.223 -0.050 0.000 2.083 537 L HA -0.161 4.179 4.340 0.000 0.000 0.209 537 L C 2.634 179.380 176.870 -0.207 0.000 1.083 537 L CA 1.711 56.420 54.840 -0.217 0.000 0.752 537 L CB -1.364 40.620 42.059 -0.125 0.000 0.899 537 L HN 0.287 nan 8.230 nan 0.000 0.433 538 R N -0.786 119.593 120.500 -0.202 0.000 2.083 538 R HA -0.142 4.198 4.340 0.000 0.000 0.237 538 R C 2.250 178.545 176.300 -0.009 0.000 1.137 538 R CA 1.948 57.878 56.100 -0.283 0.000 0.951 538 R CB -0.492 29.229 30.300 -0.966 0.000 0.851 538 R HN 0.329 nan 8.270 nan 0.000 0.434 539 T N 0.564 115.176 114.554 0.097 0.000 2.770 539 T HA -0.065 4.285 4.350 0.000 0.000 0.263 539 T C 2.011 176.844 174.700 0.221 0.000 1.039 539 T CA 1.149 63.377 62.100 0.213 0.000 1.142 539 T CB -0.126 68.938 68.868 0.326 0.000 0.868 539 T HN -0.025 nan 8.240 nan 0.000 0.435 540 V N 1.262 121.280 119.914 0.173 0.000 2.287 540 V HA -0.241 3.879 4.120 0.000 0.000 0.248 540 V C 2.158 178.377 176.094 0.209 0.000 1.053 540 V CA 1.851 64.274 62.300 0.205 0.000 1.027 540 V CB -0.733 31.104 31.823 0.023 0.000 0.646 540 V HN 0.665 nan 8.190 nan 0.000 0.447 541 H N 0.119 119.225 119.070 0.059 0.000 2.457 541 H HA -0.103 4.453 4.556 0.000 0.000 0.294 541 H C 2.449 177.652 175.328 -0.207 0.000 1.064 541 H CA 1.106 57.111 56.048 -0.071 0.000 1.330 541 H CB 0.027 29.652 29.762 -0.228 0.000 1.395 541 H HN 0.602 nan 8.280 nan 0.000 0.541 542 S N 0.419 116.069 115.700 -0.084 0.000 2.419 542 S HA -0.169 4.301 4.470 0.000 0.000 0.233 542 S C 1.552 176.054 174.600 -0.164 0.000 1.016 542 S CA 0.925 59.057 58.200 -0.114 0.000 0.974 542 S CB -0.498 62.671 63.200 -0.051 0.000 0.786 542 S HN 0.271 nan 8.310 nan 0.000 0.492 543 F N 1.822 121.795 119.950 0.039 0.000 2.710 543 F HA 0.230 4.757 4.527 0.000 0.000 0.298 543 F C 0.939 176.717 175.800 -0.037 0.000 1.137 543 F CA 0.284 58.298 58.000 0.024 0.000 1.444 543 F CB -0.498 38.537 39.000 0.059 0.000 1.111 543 F HN 0.147 nan 8.300 nan 0.000 0.580 544 D N 0.184 120.626 120.400 0.070 0.000 2.828 544 D HA -0.144 4.496 4.640 0.000 0.000 0.241 544 D C -2.566 173.792 176.300 0.097 0.000 1.142 544 D CA -0.154 53.799 54.000 -0.078 0.000 0.755 544 D CB -0.571 39.976 40.800 -0.422 0.000 1.014 544 D HN 0.088 nan 8.370 nan 0.000 0.420 545 P HA 0.109 nan 4.420 nan 0.000 0.266 545 P C -0.169 177.214 177.300 0.138 0.000 1.195 545 P CA -0.420 62.776 63.100 0.160 0.000 0.768 545 P CB 1.024 32.827 31.700 0.171 0.000 0.838 546 C N 5.742 125.120 119.300 0.130 0.000 2.654 546 C HA 0.278 4.738 4.460 0.000 0.000 0.315 546 C C 1.424 176.495 174.990 0.136 0.000 1.054 546 C CA -0.485 58.609 59.018 0.127 0.000 1.419 546 C CB -1.137 26.683 27.740 0.135 0.000 1.889 546 C HN 0.475 nan 8.230 nan 0.000 0.447 547 I N 3.258 123.900 120.570 0.120 0.000 2.439 547 I HA -0.014 4.156 4.170 0.000 0.000 0.251 547 I C 2.543 178.743 176.117 0.138 0.000 1.139 547 I CA 1.671 63.051 61.300 0.134 0.000 1.438 547 I CB -1.639 36.444 38.000 0.138 0.000 1.085 547 I HN 0.728 nan 8.210 nan 0.000 0.427 548 A N 0.230 123.118 122.820 0.113 0.000 1.902 548 A HA -0.203 4.117 4.320 0.000 0.000 0.217 548 A C 2.620 180.287 177.584 0.139 0.000 1.181 548 A CA 1.711 53.810 52.037 0.102 0.000 0.623 548 A CB -1.160 17.885 19.000 0.076 0.000 0.818 548 A HN 0.470 nan 8.150 nan 0.000 0.443 549 C N -1.115 118.289 119.300 0.174 0.000 2.436 549 C HA 0.002 4.462 4.460 0.000 0.000 0.277 549 C C 3.068 178.261 174.990 0.339 0.000 1.241 549 C CA 0.904 60.074 59.018 0.253 0.000 1.721 549 C CB -1.545 26.364 27.740 0.281 0.000 2.043 549 C HN 0.693 nan 8.230 nan 0.000 0.472 550 G N -0.375 108.576 108.800 0.252 0.000 2.442 550 G HA2 -0.162 3.798 3.960 0.000 0.000 0.219 550 G HA3 -0.162 3.798 3.960 0.000 0.000 0.219 550 G C 1.557 176.549 174.900 0.152 0.000 1.141 550 G CA 1.654 46.889 45.100 0.226 0.000 0.763 550 G HN 0.445 nan 8.290 nan 0.000 0.554 551 V N 1.130 121.092 119.914 0.080 0.000 2.672 551 V HA 0.135 4.255 4.120 0.000 0.000 0.242 551 V C 1.127 176.885 176.094 -0.560 0.000 1.059 551 V CA 0.788 63.026 62.300 -0.103 0.000 1.081 551 V CB -0.708 31.199 31.823 0.141 0.000 0.752 551 V HN 0.788 nan 8.190 nan 0.000 0.472 552 H N 0.000 119.085 119.070 0.025 0.000 2.539 552 H HA 0.000 4.556 4.556 0.000 0.000 0.296 552 H CA 0.000 55.997 56.048 -0.084 0.000 1.023 552 H CB 0.000 29.720 29.762 -0.071 0.000 1.292 552 H HN 0.000 nan 8.280 nan 0.000 0.496