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 3eah_1_A DATA FIRST_RESID 37 DATA SEQUENCE FPRVKNWEVG SITYDTLSAQ AQQDGPCTPR RCLGSLVFXX XXXXXXXXXP DATA SEQUENCE EQLLSQARDF INQYYSSIKR SGSQAHEQRL QEVEAEVAAT GTYQLRESEL DATA SEQUENCE VFGAKQAWRN APRCVGRIQW GKLQVFDARD CRSAQEMFTY ICNHIKYATN DATA SEQUENCE RGNLRSAITV FPQRCPGRGD FRIWNSQLVR YAGYRQQDGS VRGDPANVEI DATA SEQUENCE TELCIQHGWT PGNGRFDVLP LLLQAPDEPP ELFLLPPELV LEVPLEHPTL DATA SEQUENCE EWFAALGLRW YALPAVSNML LEIGGLEFPA APFSGWYMST EIGTRNLCDP DATA SEQUENCE HRYNILEDVA VCMDLDTRTT SSLWKDKAAV EINVAVLHSY QLAKVTIVDH DATA SEQUENCE HAATASFMKH LENEQKARGG CPADWAWIVP PISGSLTPVF HQEMVNYFLS DATA SEQUENCE PAFRYQPDPW 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 37 F HA 0.000 nan 4.527 nan 0.000 0.279 37 F C 0.000 175.883 175.800 0.138 0.000 0.967 37 F CA 0.000 58.049 58.000 0.082 0.000 1.383 37 F CB 0.000 39.062 39.000 0.104 0.000 1.145 38 P HA 0.118 nan 4.420 nan 0.000 0.263 38 P C -0.520 176.817 177.300 0.062 0.000 1.195 38 P CA -0.143 63.025 63.100 0.113 0.000 0.762 38 P CB 0.620 32.357 31.700 0.062 0.000 0.799 39 R N 2.741 123.205 120.500 -0.060 0.000 2.297 39 R HA 0.456 4.796 4.340 0.001 0.000 0.308 39 R C -1.330 174.838 176.300 -0.220 0.000 1.029 39 R CA -0.539 55.325 56.100 -0.393 0.000 0.929 39 R CB 0.620 30.686 30.300 -0.391 0.000 1.046 39 R HN 0.221 nan 8.270 nan 0.000 0.461 40 V N 4.988 124.748 119.914 -0.257 0.000 2.487 40 V HA 0.376 4.497 4.120 0.001 0.000 0.298 40 V C -0.462 175.541 176.094 -0.153 0.000 1.028 40 V CA -0.737 61.496 62.300 -0.112 0.000 0.860 40 V CB 1.561 33.365 31.823 -0.033 0.000 0.991 40 V HN 0.772 nan 8.190 nan 0.000 0.427 41 K N 3.834 124.155 120.400 -0.132 0.000 2.318 41 K HA 0.452 4.773 4.320 0.001 0.000 0.249 41 K C -0.832 175.612 176.600 -0.259 0.000 0.942 41 K CA -0.727 55.388 56.287 -0.287 0.000 0.808 41 K CB 1.816 33.989 32.500 -0.545 0.000 1.189 41 K HN 0.709 nan 8.250 nan 0.000 0.428 42 N N 3.572 122.117 118.700 -0.259 0.000 2.419 42 N HA 0.119 4.860 4.740 0.001 0.000 0.277 42 N C -0.387 175.000 175.510 -0.204 0.000 1.006 42 N CA -0.324 52.683 53.050 -0.072 0.000 0.923 42 N CB 0.571 39.067 38.487 0.015 0.000 1.140 42 N HN 0.669 nan 8.380 nan 0.000 0.488 43 W N 1.989 123.377 121.300 0.147 0.000 3.139 43 W HA 0.209 4.870 4.660 0.002 0.000 0.260 43 W C 2.017 178.594 176.519 0.096 0.000 1.312 43 W CA -0.303 57.118 57.345 0.126 0.000 1.606 43 W CB 0.435 29.989 29.460 0.156 0.000 1.118 43 W HN 0.655 nan 8.180 nan 0.000 0.675 44 E N 0.092 120.437 120.200 0.242 0.000 2.075 44 E HA -0.113 4.237 4.350 0.001 0.000 0.190 44 E C 1.810 178.441 176.600 0.052 0.000 0.969 44 E CA 1.173 57.618 56.400 0.075 0.000 0.815 44 E CB 0.060 29.773 29.700 0.022 0.000 0.776 44 E HN 0.071 nan 8.360 nan 0.000 0.457 45 V N -0.577 119.365 119.914 0.047 0.000 2.500 45 V HA 0.117 4.238 4.120 0.001 0.000 0.243 45 V C 1.738 177.818 176.094 -0.024 0.000 1.039 45 V CA 1.322 63.629 62.300 0.013 0.000 1.053 45 V CB 0.388 32.221 31.823 0.015 0.000 0.695 45 V HN 0.640 nan 8.190 nan 0.000 0.463 46 G N 0.592 109.345 108.800 -0.078 0.000 2.213 46 G HA2 -0.243 3.718 3.960 0.001 0.000 0.226 46 G HA3 -0.243 3.718 3.960 0.001 0.000 0.226 46 G C 0.533 175.327 174.900 -0.177 0.000 0.992 46 G CA 0.311 45.319 45.100 -0.154 0.000 0.632 46 G HN 0.833 nan 8.290 nan 0.000 0.511 47 S N 0.578 116.205 115.700 -0.122 0.000 2.584 47 S HA 0.669 5.140 4.470 0.001 0.000 0.270 47 S C 0.448 174.956 174.600 -0.152 0.000 1.346 47 S CA 0.337 58.474 58.200 -0.104 0.000 1.018 47 S CB 1.421 64.585 63.200 -0.059 0.000 0.899 47 S HN 1.677 nan 8.310 nan 0.000 0.542 48 I N -1.950 118.544 120.570 -0.127 0.000 3.074 48 I HA 0.868 5.039 4.170 0.001 0.000 0.310 48 I C -0.494 175.548 176.117 -0.124 0.000 1.153 48 I CA -0.930 60.268 61.300 -0.171 0.000 0.993 48 I CB 2.175 40.048 38.000 -0.212 0.000 1.237 48 I HN 0.897 nan 8.210 nan 0.000 0.443 49 T N -0.726 113.703 114.554 -0.207 0.000 2.645 49 T HA 0.592 4.943 4.350 0.001 0.000 0.300 49 T C -1.676 172.827 174.700 -0.327 0.000 1.210 49 T CA -0.724 61.314 62.100 -0.103 0.000 1.034 49 T CB 1.331 70.183 68.868 -0.026 0.000 1.537 49 T HN 0.601 nan 8.240 nan 0.000 0.492 50 Y N 0.217 120.515 120.300 -0.003 0.000 2.322 50 Y HA 0.390 4.941 4.550 0.001 0.000 0.324 50 Y C -0.353 175.581 175.900 0.056 0.000 1.027 50 Y CA -1.052 57.063 58.100 0.026 0.000 1.179 50 Y CB 1.514 39.963 38.460 -0.019 0.000 1.136 50 Y HN 0.732 nan 8.280 nan 0.000 0.449 51 D N 2.740 123.251 120.400 0.184 0.000 2.357 51 D HA -0.012 4.629 4.640 0.001 0.000 0.265 51 D C 1.013 177.474 176.300 0.269 0.000 1.334 51 D CA 0.518 54.621 54.000 0.171 0.000 0.984 51 D CB 0.827 41.704 40.800 0.128 0.000 1.077 51 D HN 0.780 nan 8.370 nan 0.000 0.514 52 T N 0.819 115.534 114.554 0.268 0.000 3.100 52 T HA -0.076 4.274 4.350 0.001 0.000 0.253 52 T C 1.768 176.619 174.700 0.253 0.000 1.118 52 T CA -0.185 62.181 62.100 0.442 0.000 1.058 52 T CB 0.207 69.150 68.868 0.125 0.000 0.953 52 T HN 0.255 nan 8.240 nan 0.000 0.515 53 L N 2.643 123.928 121.223 0.104 0.000 2.131 53 L HA 0.107 4.448 4.340 0.001 0.000 0.206 53 L C 2.642 179.397 176.870 -0.191 0.000 1.087 53 L CA 1.785 56.647 54.840 0.037 0.000 0.767 53 L CB -0.877 41.258 42.059 0.127 0.000 0.917 53 L HN 0.423 nan 8.230 nan 0.000 0.441 54 S N 0.159 115.565 115.700 -0.491 0.000 2.380 54 S HA -0.317 4.154 4.470 0.001 0.000 0.229 54 S C 2.182 176.480 174.600 -0.504 0.000 1.043 54 S CA 1.328 58.904 58.200 -1.040 0.000 1.038 54 S CB -1.386 61.396 63.200 -0.696 0.000 0.872 54 S HN 0.547 nan 8.310 nan 0.000 0.456 55 A N 1.419 124.058 122.820 -0.302 0.000 1.997 55 A HA -0.173 4.148 4.320 0.001 0.000 0.221 55 A C 2.148 179.646 177.584 -0.143 0.000 1.172 55 A CA 1.736 53.618 52.037 -0.260 0.000 0.645 55 A CB -0.767 18.045 19.000 -0.313 0.000 0.813 55 A HN 0.733 nan 8.150 nan 0.000 0.454 56 Q N -0.281 119.465 119.800 -0.090 0.000 2.228 56 Q HA 0.441 4.782 4.340 0.001 0.000 0.211 56 Q C 0.358 176.372 176.000 0.024 0.000 0.890 56 Q CA -0.086 55.709 55.803 -0.013 0.000 0.953 56 Q CB -0.010 28.745 28.738 0.027 0.000 1.053 56 Q HN 0.628 nan 8.270 nan 0.000 0.471 57 A N 0.572 123.391 122.820 -0.001 0.000 2.546 57 A HA 0.190 4.510 4.320 0.001 0.000 0.243 57 A C 1.248 178.927 177.584 0.158 0.000 1.063 57 A CA 0.725 52.836 52.037 0.124 0.000 0.757 57 A CB 0.188 19.257 19.000 0.115 0.000 0.991 57 A HN 0.525 nan 8.150 nan 0.000 0.503 58 Q N 0.922 120.873 119.800 0.252 0.000 2.008 58 Q HA 0.281 4.621 4.340 0.001 0.000 0.196 58 Q C 1.433 177.596 176.000 0.271 0.000 0.973 58 Q CA 2.404 58.375 55.803 0.281 0.000 0.826 58 Q CB -1.085 27.862 28.738 0.348 0.000 0.894 58 Q HN 1.691 nan 8.270 nan 0.000 0.439 59 Q N 0.355 120.380 119.800 0.375 0.000 2.333 59 Q HA 0.579 4.920 4.340 0.001 0.000 0.266 59 Q C -1.239 174.771 176.000 0.017 0.000 1.053 59 Q CA -0.277 55.522 55.803 -0.007 0.000 0.890 59 Q CB 0.883 29.248 28.738 -0.621 0.000 1.337 59 Q HN 0.587 nan 8.270 nan 0.000 0.474 60 D N -0.621 119.743 120.400 -0.060 0.000 2.193 60 D HA 0.599 5.240 4.640 0.001 0.000 0.249 60 D C 0.262 176.552 176.300 -0.016 0.000 1.034 60 D CA 0.469 54.463 54.000 -0.011 0.000 0.902 60 D CB 1.619 42.410 40.800 -0.015 0.000 1.182 60 D HN 0.745 nan 8.370 nan 0.000 0.436 61 G N 0.627 109.448 108.800 0.035 0.000 2.568 61 G HA2 0.405 4.366 3.960 0.001 0.000 0.293 61 G HA3 0.405 4.366 3.960 0.001 0.000 0.293 61 G C -1.538 173.382 174.900 0.033 0.000 1.347 61 G CA -0.697 44.431 45.100 0.047 0.000 1.039 61 G HN 0.346 nan 8.290 nan 0.000 0.523 62 P HA 0.181 nan 4.420 nan 0.000 0.230 62 P C 0.233 177.555 177.300 0.035 0.000 1.168 62 P CA 0.005 63.127 63.100 0.038 0.000 0.793 62 P CB 0.229 31.959 31.700 0.050 0.000 0.851 63 C N 0.734 120.059 119.300 0.042 0.000 2.605 63 C HA 0.532 4.992 4.460 0.001 0.000 0.404 63 C C 0.951 175.956 174.990 0.026 0.000 1.284 63 C CA -0.007 59.032 59.018 0.035 0.000 2.199 63 C CB 0.008 27.773 27.740 0.043 0.000 2.647 63 C HN 0.355 nan 8.230 nan 0.000 0.604 64 T N -0.907 113.659 114.554 0.019 0.000 2.864 64 T HA 0.438 4.789 4.350 0.001 0.000 0.299 64 T C -2.476 172.230 174.700 0.011 0.000 1.166 64 T CA -1.238 60.869 62.100 0.013 0.000 1.007 64 T CB 1.548 70.422 68.868 0.010 0.000 1.219 64 T HN 0.269 nan 8.240 nan 0.000 0.506 65 P HA 0.069 nan 4.420 nan 0.000 0.225 65 P C 1.795 179.098 177.300 0.005 0.000 1.148 65 P CA 1.135 64.238 63.100 0.006 0.000 0.779 65 P CB -0.064 31.639 31.700 0.004 0.000 0.780 66 R N 0.515 121.018 120.500 0.005 0.000 2.093 66 R HA 0.034 4.374 4.340 0.001 0.000 0.224 66 R C 1.390 177.693 176.300 0.004 0.000 1.101 66 R CA 1.263 57.366 56.100 0.004 0.000 0.979 66 R CB -0.835 29.467 30.300 0.004 0.000 0.877 66 R HN 0.288 nan 8.270 nan 0.000 0.441 67 R N -1.361 119.143 120.500 0.007 0.000 2.644 67 R HA 0.246 4.587 4.340 0.001 0.000 0.257 67 R C -1.675 174.633 176.300 0.012 0.000 1.082 67 R CA -0.326 55.779 56.100 0.007 0.000 0.927 67 R CB -0.157 30.148 30.300 0.007 0.000 1.258 67 R HN 0.216 nan 8.270 nan 0.000 0.459 68 C N 3.731 123.038 119.300 0.012 0.000 2.452 68 C HA 0.582 5.043 4.460 0.001 0.000 0.379 68 C C 0.813 175.819 174.990 0.026 0.000 1.275 68 C CA -0.560 58.469 59.018 0.019 0.000 2.056 68 C CB -0.678 27.069 27.740 0.012 0.000 2.506 68 C HN 0.771 nan 8.230 nan 0.000 0.560 69 L N 5.503 126.749 121.223 0.038 0.000 3.289 69 L HA 0.283 4.624 4.340 0.001 0.000 0.291 69 L C 2.017 178.927 176.870 0.066 0.000 1.279 69 L CA 0.234 55.102 54.840 0.047 0.000 1.025 69 L CB 0.013 42.099 42.059 0.045 0.000 1.413 69 L HN 1.031 nan 8.230 nan 0.000 0.593 70 G N 0.278 109.121 108.800 0.072 0.000 2.479 70 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 70 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 70 G C 1.529 176.512 174.900 0.138 0.000 1.115 70 G CA 1.183 46.343 45.100 0.101 0.000 0.757 70 G HN 0.501 nan 8.290 nan 0.000 0.560 71 S N -0.452 115.318 115.700 0.116 0.000 2.593 71 S HA 0.332 4.802 4.470 0.001 0.000 0.217 71 S C 0.808 175.486 174.600 0.130 0.000 0.966 71 S CA -0.507 57.774 58.200 0.134 0.000 0.914 71 S CB -0.169 63.080 63.200 0.082 0.000 0.776 71 S HN 0.174 nan 8.310 nan 0.000 0.523 72 L N 1.646 122.936 121.223 0.111 0.000 2.380 72 L HA 0.235 4.576 4.340 0.001 0.000 0.273 72 L C 1.417 178.338 176.870 0.085 0.000 1.138 72 L CA -0.600 54.293 54.840 0.087 0.000 0.832 72 L CB 1.086 43.192 42.059 0.079 0.000 1.124 72 L HN 0.016 nan 8.230 nan 0.000 0.454 73 V N 2.955 122.868 119.914 -0.002 0.000 2.453 73 V HA -0.123 3.997 4.120 0.001 0.000 0.247 73 V C 0.564 176.333 176.094 -0.542 0.000 1.048 73 V CA 1.450 63.627 62.300 -0.204 0.000 1.049 73 V CB -0.471 31.098 31.823 -0.423 0.000 0.672 73 V HN 0.451 nan 8.190 nan 0.000 0.457 87 E N 0.512 120.730 120.200 0.030 0.000 2.268 87 E HA 0.035 4.385 4.350 0.001 0.000 0.195 87 E C 1.971 178.594 176.600 0.038 0.000 0.995 87 E CA 2.293 58.711 56.400 0.030 0.000 0.836 87 E CB -1.212 28.502 29.700 0.022 0.000 0.763 87 E HN 0.557 nan 8.360 nan 0.000 0.491 88 Q N -0.393 119.430 119.800 0.038 0.000 2.269 88 Q HA 0.377 4.717 4.340 0.001 0.000 0.201 88 Q C 2.364 178.402 176.000 0.064 0.000 0.946 88 Q CA 1.269 57.099 55.803 0.045 0.000 0.877 88 Q CB -0.459 28.299 28.738 0.033 0.000 0.963 88 Q HN 0.606 nan 8.270 nan 0.000 0.472 89 L N -0.423 120.842 121.223 0.069 0.000 2.072 89 L HA 0.052 4.393 4.340 0.001 0.000 0.205 89 L C 2.270 179.215 176.870 0.125 0.000 1.079 89 L CA 1.623 56.524 54.840 0.102 0.000 0.752 89 L CB -0.678 41.444 42.059 0.105 0.000 0.906 89 L HN 0.367 nan 8.230 nan 0.000 0.436 90 L N -0.223 121.053 121.223 0.088 0.000 1.994 90 L HA -0.192 4.149 4.340 0.001 0.000 0.208 90 L C 2.891 179.803 176.870 0.070 0.000 1.071 90 L CA 2.121 56.998 54.840 0.062 0.000 0.745 90 L CB -0.993 41.088 42.059 0.037 0.000 0.892 90 L HN 0.604 nan 8.230 nan 0.000 0.431 91 S N -1.406 114.336 115.700 0.069 0.000 2.359 91 S HA -0.337 4.133 4.470 0.001 0.000 0.223 91 S C 1.914 176.578 174.600 0.107 0.000 1.039 91 S CA 1.624 59.869 58.200 0.075 0.000 1.042 91 S CB -0.854 62.385 63.200 0.065 0.000 0.915 91 S HN 0.571 nan 8.310 nan 0.000 0.439 92 Q N 1.256 121.130 119.800 0.123 0.000 2.084 92 Q HA 0.011 4.352 4.340 0.001 0.000 0.202 92 Q C 2.654 178.785 176.000 0.219 0.000 0.978 92 Q CA 1.445 57.344 55.803 0.160 0.000 0.844 92 Q CB -0.566 28.260 28.738 0.147 0.000 0.898 92 Q HN 0.778 nan 8.270 nan 0.000 0.426 93 A N 1.197 124.146 122.820 0.216 0.000 1.898 93 A HA -0.184 4.137 4.320 0.001 0.000 0.216 93 A C 1.981 179.686 177.584 0.201 0.000 1.181 93 A CA 1.178 53.370 52.037 0.258 0.000 0.620 93 A CB -0.378 18.685 19.000 0.105 0.000 0.819 93 A HN 0.205 nan 8.150 nan 0.000 0.442 94 R N -0.444 120.128 120.500 0.120 0.000 2.091 94 R HA -0.190 4.150 4.340 0.001 0.000 0.238 94 R C 1.994 178.384 176.300 0.150 0.000 1.136 94 R CA 1.767 57.931 56.100 0.106 0.000 0.959 94 R CB -0.544 29.799 30.300 0.071 0.000 0.856 94 R HN 0.786 nan 8.270 nan 0.000 0.437 95 D N 0.145 120.646 120.400 0.167 0.000 2.117 95 D HA -0.196 4.444 4.640 0.001 0.000 0.198 95 D C 1.749 178.177 176.300 0.213 0.000 0.982 95 D CA 0.767 54.871 54.000 0.172 0.000 0.828 95 D CB -0.084 40.815 40.800 0.165 0.000 0.967 95 D HN 0.148 nan 8.370 nan 0.000 0.464 96 F N 1.002 121.043 119.950 0.151 0.000 2.134 96 F HA -0.073 4.455 4.527 0.001 0.000 0.299 96 F C 1.850 177.780 175.800 0.216 0.000 1.097 96 F CA 1.009 59.122 58.000 0.187 0.000 1.264 96 F CB -0.252 38.860 39.000 0.187 0.000 1.001 96 F HN -0.004 nan 8.300 nan 0.000 0.479 97 I N 0.971 121.499 120.570 -0.069 0.000 2.226 97 I HA -0.300 3.870 4.170 0.001 0.000 0.245 97 I C 1.988 178.089 176.117 -0.028 0.000 1.100 97 I CA 1.174 62.425 61.300 -0.082 0.000 1.374 97 I CB -1.663 36.424 38.000 0.145 0.000 1.057 97 I HN 0.227 nan 8.210 nan 0.000 0.413 98 N N 1.002 119.739 118.700 0.061 0.000 2.120 98 N HA -0.187 4.554 4.740 0.001 0.000 0.188 98 N C 1.831 177.309 175.510 -0.053 0.000 1.024 98 N CA 1.104 54.187 53.050 0.055 0.000 0.852 98 N CB -0.365 38.211 38.487 0.147 0.000 1.003 98 N HN 0.510 nan 8.380 nan 0.000 0.424 99 Q N -0.515 119.272 119.800 -0.022 0.000 2.084 99 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 99 Q C 1.806 177.678 176.000 -0.213 0.000 0.978 99 Q CA 1.263 57.078 55.803 0.020 0.000 0.844 99 Q CB -0.269 28.608 28.738 0.231 0.000 0.898 99 Q HN 0.531 nan 8.270 nan 0.000 0.426 100 Y N -0.116 119.826 120.300 -0.597 0.000 2.089 100 Y HA -0.298 4.253 4.550 0.001 0.000 0.282 100 Y C 1.704 177.099 175.900 -0.840 0.000 1.139 100 Y CA 1.566 59.005 58.100 -1.103 0.000 1.123 100 Y CB -0.244 37.592 38.460 -1.039 0.000 0.980 100 Y HN 0.042 nan 8.280 nan 0.000 0.493 101 Y N -0.741 119.138 120.300 -0.702 0.000 2.569 101 Y HA -0.180 4.370 4.550 0.001 0.000 0.293 101 Y C 2.807 178.395 175.900 -0.520 0.000 1.144 101 Y CA 1.308 58.976 58.100 -0.721 0.000 1.321 101 Y CB -0.208 37.739 38.460 -0.855 0.000 0.982 101 Y HN 0.188 nan 8.280 nan 0.000 0.558 102 S N -0.997 114.509 115.700 -0.323 0.000 2.458 102 S HA -0.112 4.359 4.470 0.001 0.000 0.223 102 S C 2.222 176.684 174.600 -0.230 0.000 1.019 102 S CA 0.834 58.921 58.200 -0.189 0.000 0.937 102 S CB -0.400 62.744 63.200 -0.092 0.000 0.788 102 S HN 0.517 nan 8.310 nan 0.000 0.511 103 S N 1.906 117.370 115.700 -0.392 0.000 2.428 103 S HA 0.016 4.487 4.470 0.001 0.000 0.230 103 S C 1.472 175.861 174.600 -0.353 0.000 1.014 103 S CA 0.843 58.832 58.200 -0.351 0.000 0.957 103 S CB -0.812 62.011 63.200 -0.627 0.000 0.784 103 S HN 0.784 nan 8.310 nan 0.000 0.499 104 I N -2.412 117.869 120.570 -0.482 0.000 3.927 104 I HA 0.456 4.627 4.170 0.001 0.000 0.332 104 I C -0.499 175.483 176.117 -0.224 0.000 1.485 104 I CA -0.893 60.189 61.300 -0.364 0.000 1.131 104 I CB -0.519 37.181 38.000 -0.501 0.000 1.092 104 I HN -0.060 nan 8.210 nan 0.000 0.410 105 K N 2.186 122.478 120.400 -0.179 0.000 3.689 105 K HA -0.150 4.171 4.320 0.001 0.000 0.276 105 K C -0.035 176.521 176.600 -0.074 0.000 0.932 105 K CA 0.296 56.522 56.287 -0.102 0.000 0.758 105 K CB -0.923 31.532 32.500 -0.075 0.000 1.500 105 K HN 0.479 nan 8.250 nan 0.000 0.448 106 R N -0.199 120.266 120.500 -0.058 0.000 2.534 106 R HA 0.078 4.419 4.340 0.001 0.000 0.438 106 R C -0.351 175.976 176.300 0.045 0.000 0.913 106 R CA -0.328 55.779 56.100 0.012 0.000 1.130 106 R CB 1.056 31.402 30.300 0.077 0.000 1.611 106 R HN 0.209 nan 8.270 nan 0.000 0.571 107 S N -0.093 115.624 115.700 0.029 0.000 2.525 107 S HA 0.300 4.771 4.470 0.001 0.000 0.285 107 S C 1.271 175.961 174.600 0.150 0.000 1.283 107 S CA 1.563 59.832 58.200 0.114 0.000 1.072 107 S CB 0.405 63.640 63.200 0.058 0.000 0.867 107 S HN 0.705 nan 8.310 nan 0.000 0.492 108 G N 3.216 112.188 108.800 0.288 0.000 2.162 108 G HA2 -0.278 3.683 3.960 0.001 0.000 0.260 108 G HA3 -0.278 3.683 3.960 0.001 0.000 0.260 108 G C 0.233 175.103 174.900 -0.049 0.000 0.976 108 G CA 0.425 45.523 45.100 -0.003 0.000 0.655 108 G HN 1.334 nan 8.290 nan 0.000 0.533 109 S N -1.689 114.000 115.700 -0.020 0.000 2.634 109 S HA 0.664 5.134 4.470 0.001 0.000 0.261 109 S C 1.575 176.113 174.600 -0.103 0.000 1.271 109 S CA 1.009 59.175 58.200 -0.056 0.000 0.985 109 S CB 1.201 64.378 63.200 -0.038 0.000 0.968 109 S HN 1.646 nan 8.310 nan 0.000 0.568 110 Q N 0.351 120.104 119.800 -0.079 0.000 2.079 110 Q HA 0.113 4.453 4.340 0.001 0.000 0.200 110 Q C 2.601 178.542 176.000 -0.099 0.000 0.974 110 Q CA 2.128 57.882 55.803 -0.081 0.000 0.840 110 Q CB -1.717 26.993 28.738 -0.047 0.000 0.898 110 Q HN 1.203 nan 8.270 nan 0.000 0.430 111 A N 0.052 122.820 122.820 -0.088 0.000 1.908 111 A HA -0.241 4.080 4.320 0.001 0.000 0.218 111 A C 2.105 179.501 177.584 -0.313 0.000 1.181 111 A CA 1.935 53.926 52.037 -0.077 0.000 0.627 111 A CB -0.915 18.117 19.000 0.054 0.000 0.818 111 A HN 0.897 nan 8.150 nan 0.000 0.445 112 H N -0.813 117.781 119.070 -0.794 0.000 2.290 112 H HA -0.134 4.422 4.556 0.001 0.000 0.298 112 H C 1.971 176.978 175.328 -0.535 0.000 1.087 112 H CA 1.306 56.598 56.048 -1.261 0.000 1.291 112 H CB 0.107 29.334 29.762 -0.892 0.000 1.369 112 H HN 0.391 nan 8.280 nan 0.000 0.492 113 E N -0.051 119.983 120.200 -0.277 0.000 2.153 113 E HA -0.189 4.162 4.350 0.001 0.000 0.194 113 E C 2.540 179.071 176.600 -0.116 0.000 0.988 113 E CA 1.310 57.573 56.400 -0.229 0.000 0.811 113 E CB -0.478 29.102 29.700 -0.200 0.000 0.746 113 E HN 0.791 nan 8.360 nan 0.000 0.466 114 Q N 1.149 120.897 119.800 -0.087 0.000 2.123 114 Q HA -0.051 4.290 4.340 0.001 0.000 0.199 114 Q C 2.141 178.143 176.000 0.004 0.000 0.966 114 Q CA 1.444 57.227 55.803 -0.032 0.000 0.845 114 Q CB -0.542 28.188 28.738 -0.014 0.000 0.907 114 Q HN -0.062 nan 8.270 nan 0.000 0.439 115 R N 0.327 120.845 120.500 0.030 0.000 2.096 115 R HA 0.064 4.404 4.340 0.001 0.000 0.235 115 R C 2.209 178.554 176.300 0.076 0.000 1.127 115 R CA 1.366 57.538 56.100 0.120 0.000 0.968 115 R CB -0.904 29.587 30.300 0.317 0.000 0.861 115 R HN 0.624 nan 8.270 nan 0.000 0.440 116 L N 0.049 121.300 121.223 0.047 0.000 2.027 116 L HA -0.170 4.171 4.340 0.001 0.000 0.206 116 L C 2.522 179.377 176.870 -0.026 0.000 1.074 116 L CA 1.469 56.315 54.840 0.010 0.000 0.745 116 L CB -0.399 41.647 42.059 -0.022 0.000 0.898 116 L HN 0.226 nan 8.230 nan 0.000 0.433 117 Q N -0.515 119.269 119.800 -0.028 0.000 2.124 117 Q HA -0.255 4.085 4.340 0.001 0.000 0.202 117 Q C 2.097 178.089 176.000 -0.014 0.000 0.977 117 Q CA 1.556 57.344 55.803 -0.025 0.000 0.850 117 Q CB -0.030 28.694 28.738 -0.025 0.000 0.901 117 Q HN 0.309 nan 8.270 nan 0.000 0.429 118 E N 0.503 120.702 120.200 -0.001 0.000 2.051 118 E HA -0.159 4.192 4.350 0.001 0.000 0.192 118 E C 1.900 178.497 176.600 -0.005 0.000 0.991 118 E CA 1.655 58.063 56.400 0.013 0.000 0.799 118 E CB -0.232 29.491 29.700 0.038 0.000 0.748 118 E HN 0.276 nan 8.360 nan 0.000 0.449 119 V N -0.679 119.201 119.914 -0.058 0.000 2.343 119 V HA -0.196 3.925 4.120 0.001 0.000 0.247 119 V C 2.069 178.081 176.094 -0.136 0.000 1.051 119 V CA 2.188 64.372 62.300 -0.193 0.000 1.036 119 V CB -0.844 30.707 31.823 -0.454 0.000 0.654 119 V HN 0.177 nan 8.190 nan 0.000 0.451 120 E N 1.000 121.149 120.200 -0.085 0.000 2.150 120 E HA -0.085 4.266 4.350 0.001 0.000 0.193 120 E C 2.384 178.979 176.600 -0.007 0.000 0.985 120 E CA 1.251 57.626 56.400 -0.041 0.000 0.814 120 E CB -0.322 29.359 29.700 -0.031 0.000 0.752 120 E HN 0.732 nan 8.360 nan 0.000 0.466 121 A N 1.530 124.349 122.820 -0.001 0.000 1.873 121 A HA -0.223 4.097 4.320 0.001 0.000 0.215 121 A C 1.939 179.543 177.584 0.033 0.000 1.186 121 A CA 1.319 53.365 52.037 0.015 0.000 0.616 121 A CB -0.373 18.637 19.000 0.017 0.000 0.823 121 A HN 0.140 nan 8.150 nan 0.000 0.442 122 E N -0.263 119.966 120.200 0.047 0.000 2.058 122 E HA -0.160 4.191 4.350 0.001 0.000 0.194 122 E C 2.054 178.711 176.600 0.095 0.000 0.997 122 E CA 1.561 58.012 56.400 0.085 0.000 0.801 122 E CB -0.358 29.426 29.700 0.140 0.000 0.746 122 E HN 0.409 nan 8.360 nan 0.000 0.450 123 V N 1.508 121.481 119.914 0.097 0.000 2.287 123 V HA -0.294 3.827 4.120 0.001 0.000 0.248 123 V C 2.402 178.535 176.094 0.064 0.000 1.053 123 V CA 1.882 64.245 62.300 0.105 0.000 1.027 123 V CB -0.892 30.988 31.823 0.095 0.000 0.646 123 V HN 0.324 nan 8.190 nan 0.000 0.447 124 A N -0.269 122.578 122.820 0.044 0.000 1.978 124 A HA -0.101 4.220 4.320 0.001 0.000 0.220 124 A C 2.281 179.885 177.584 0.033 0.000 1.170 124 A CA 2.328 54.385 52.037 0.032 0.000 0.636 124 A CB -0.527 18.486 19.000 0.023 0.000 0.810 124 A HN 0.624 nan 8.150 nan 0.000 0.448 125 A N -1.497 121.346 122.820 0.039 0.000 2.014 125 A HA 0.188 4.509 4.320 0.001 0.000 0.210 125 A C 2.096 179.702 177.584 0.038 0.000 1.188 125 A CA 1.805 53.863 52.037 0.035 0.000 0.731 125 A CB -0.303 18.718 19.000 0.035 0.000 0.858 125 A HN 0.761 nan 8.150 nan 0.000 0.464 126 T N -6.143 108.440 114.554 0.047 0.000 3.003 126 T HA 0.435 4.786 4.350 0.001 0.000 0.261 126 T C 1.370 176.095 174.700 0.041 0.000 1.003 126 T CA 1.108 63.234 62.100 0.043 0.000 0.917 126 T CB 0.532 69.430 68.868 0.049 0.000 1.084 126 T HN 1.641 nan 8.240 nan 0.000 0.522 127 G N 0.298 109.129 108.800 0.051 0.000 2.199 127 G HA2 -0.210 3.751 3.960 0.001 0.000 0.254 127 G HA3 -0.210 3.751 3.960 0.001 0.000 0.254 127 G C 0.205 175.143 174.900 0.063 0.000 0.982 127 G CA 0.602 45.731 45.100 0.048 0.000 0.632 127 G HN 1.004 nan 8.290 nan 0.000 0.529 128 T N -1.374 113.230 114.554 0.083 0.000 2.626 128 T HA 0.723 5.074 4.350 0.001 0.000 0.299 128 T C -1.545 173.277 174.700 0.204 0.000 1.181 128 T CA 0.428 62.584 62.100 0.093 0.000 1.053 128 T CB 1.380 70.232 68.868 -0.027 0.000 1.566 128 T HN 1.590 nan 8.240 nan 0.000 0.486 129 Y N -0.219 120.091 120.300 0.016 0.000 2.641 129 Y HA 0.663 5.213 4.550 0.001 0.000 0.333 129 Y C -1.302 174.621 175.900 0.038 0.000 1.174 129 Y CA -1.251 56.870 58.100 0.035 0.000 1.057 129 Y CB 0.816 39.308 38.460 0.054 0.000 1.322 129 Y HN 0.769 nan 8.280 nan 0.000 0.457 130 Q N 2.987 122.878 119.800 0.152 0.000 2.282 130 Q HA 0.678 5.018 4.340 0.001 0.000 0.260 130 Q C -1.461 174.648 176.000 0.181 0.000 0.964 130 Q CA -0.862 54.978 55.803 0.062 0.000 0.880 130 Q CB 2.443 31.222 28.738 0.068 0.000 1.286 130 Q HN 0.814 nan 8.270 nan 0.000 0.445 131 L N 2.003 123.298 121.223 0.121 0.000 2.466 131 L HA 0.407 4.748 4.340 0.001 0.000 0.257 131 L C 0.568 177.504 176.870 0.110 0.000 1.189 131 L CA -0.605 54.346 54.840 0.184 0.000 0.813 131 L CB 0.605 42.753 42.059 0.150 0.000 1.118 131 L HN 0.644 nan 8.230 nan 0.000 0.471 132 R N 0.370 120.913 120.500 0.072 0.000 2.486 132 R HA 0.102 4.443 4.340 0.001 0.000 0.286 132 R C 0.824 177.112 176.300 -0.021 0.000 0.999 132 R CA -0.481 55.630 56.100 0.018 0.000 0.993 132 R CB 1.399 31.696 30.300 -0.005 0.000 1.084 132 R HN 0.618 nan 8.270 nan 0.000 0.487 133 E N 1.103 121.294 120.200 -0.015 0.000 2.095 133 E HA -0.324 4.027 4.350 0.001 0.000 0.212 133 E C 1.457 178.035 176.600 -0.038 0.000 1.044 133 E CA 2.726 59.109 56.400 -0.028 0.000 0.857 133 E CB 0.069 29.758 29.700 -0.018 0.000 0.764 133 E HN 0.703 nan 8.360 nan 0.000 0.462 134 S N 0.007 115.682 115.700 -0.041 0.000 2.400 134 S HA -0.224 4.247 4.470 0.001 0.000 0.232 134 S C 1.777 176.318 174.600 -0.098 0.000 1.025 134 S CA 1.485 59.673 58.200 -0.020 0.000 0.993 134 S CB -0.370 62.856 63.200 0.043 0.000 0.808 134 S HN 0.350 nan 8.310 nan 0.000 0.478 135 E N 0.925 120.953 120.200 -0.286 0.000 2.047 135 E HA -0.023 4.328 4.350 0.001 0.000 0.191 135 E C 2.055 178.736 176.600 0.135 0.000 0.987 135 E CA 1.002 57.240 56.400 -0.270 0.000 0.799 135 E CB -0.329 29.242 29.700 -0.216 0.000 0.752 135 E HN 0.399 nan 8.360 nan 0.000 0.449 136 L N 0.919 122.159 121.223 0.028 0.000 1.989 136 L HA -0.203 4.138 4.340 0.001 0.000 0.211 136 L C 2.267 179.111 176.870 -0.044 0.000 1.071 136 L CA 1.514 56.323 54.840 -0.052 0.000 0.749 136 L CB -0.479 41.510 42.059 -0.117 0.000 0.890 136 L HN -0.035 nan 8.230 nan 0.000 0.431 137 V N -0.464 119.445 119.914 -0.008 0.000 2.282 137 V HA -0.345 3.776 4.120 0.001 0.000 0.249 137 V C 2.343 178.497 176.094 0.100 0.000 1.057 137 V CA 2.290 64.598 62.300 0.013 0.000 1.032 137 V CB -0.935 30.902 31.823 0.024 0.000 0.645 137 V HN 0.594 nan 8.190 nan 0.000 0.447 138 F N 1.821 121.809 119.950 0.064 0.000 2.171 138 F HA -0.037 4.491 4.527 0.001 0.000 0.300 138 F C 2.101 178.010 175.800 0.181 0.000 1.090 138 F CA 1.583 59.675 58.000 0.154 0.000 1.293 138 F CB -0.908 38.230 39.000 0.230 0.000 1.013 138 F HN 0.114 nan 8.300 nan 0.000 0.486 139 G N -0.034 108.795 108.800 0.048 0.000 2.433 139 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 139 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 139 G C 1.894 176.635 174.900 -0.265 0.000 1.186 139 G CA 1.078 46.106 45.100 -0.120 0.000 0.779 139 G HN 0.631 nan 8.290 nan 0.000 0.543 140 A N 1.056 123.754 122.820 -0.203 0.000 1.903 140 A HA -0.163 4.158 4.320 0.001 0.000 0.219 140 A C 2.310 179.872 177.584 -0.036 0.000 1.191 140 A CA 2.326 54.263 52.037 -0.167 0.000 0.638 140 A CB -0.513 18.436 19.000 -0.084 0.000 0.823 140 A HN 0.416 nan 8.150 nan 0.000 0.451 141 K N -0.954 119.461 120.400 0.025 0.000 2.063 141 K HA -0.171 4.150 4.320 0.001 0.000 0.208 141 K C 2.341 178.992 176.600 0.085 0.000 1.048 141 K CA 1.442 57.847 56.287 0.198 0.000 0.928 141 K CB -0.177 32.473 32.500 0.249 0.000 0.713 141 K HN 0.465 nan 8.250 nan 0.000 0.442 142 Q N 0.241 119.909 119.800 -0.220 0.000 2.079 142 Q HA -0.098 4.243 4.340 0.001 0.000 0.200 142 Q C 2.283 178.112 176.000 -0.285 0.000 0.974 142 Q CA 1.540 57.126 55.803 -0.361 0.000 0.840 142 Q CB -0.399 28.044 28.738 -0.491 0.000 0.898 142 Q HN 0.334 nan 8.270 nan 0.000 0.430 143 A N 0.707 123.343 122.820 -0.307 0.000 1.873 143 A HA -0.215 4.106 4.320 0.001 0.000 0.218 143 A C 1.849 179.418 177.584 -0.025 0.000 1.193 143 A CA 1.712 53.495 52.037 -0.424 0.000 0.629 143 A CB -1.155 17.197 19.000 -1.080 0.000 0.826 143 A HN 0.566 nan 8.150 nan 0.000 0.447 144 W N 0.847 122.161 121.300 0.024 0.000 2.355 144 W HA -0.137 4.523 4.660 0.001 0.000 0.309 144 W C 2.367 178.841 176.519 -0.074 0.000 1.206 144 W CA 1.602 59.001 57.345 0.090 0.000 1.284 144 W CB -0.754 28.755 29.460 0.082 0.000 1.145 144 W HN 0.382 nan 8.180 nan 0.000 0.502 145 R N 0.346 120.744 120.500 -0.170 0.000 2.103 145 R HA -0.203 4.137 4.340 0.001 0.000 0.242 145 R C 1.567 177.644 176.300 -0.372 0.000 1.142 145 R CA 1.938 57.690 56.100 -0.580 0.000 0.960 145 R CB -0.627 29.053 30.300 -1.033 0.000 0.858 145 R HN 0.129 nan 8.270 nan 0.000 0.439 146 N N 0.332 118.869 118.700 -0.271 0.000 2.461 146 N HA 0.014 4.755 4.740 0.001 0.000 0.188 146 N C -0.329 175.076 175.510 -0.175 0.000 1.134 146 N CA 0.627 53.528 53.050 -0.249 0.000 0.878 146 N CB 0.385 38.689 38.487 -0.305 0.000 0.972 146 N HN 0.177 nan 8.380 nan 0.000 0.456 147 A N 2.180 124.965 122.820 -0.059 0.000 2.473 147 A HA 0.201 4.522 4.320 0.001 0.000 0.282 147 A C -1.207 176.347 177.584 -0.050 0.000 1.163 147 A CA -0.868 51.153 52.037 -0.027 0.000 0.827 147 A CB 0.277 19.317 19.000 0.068 0.000 1.098 147 A HN 0.013 nan 8.150 nan 0.000 0.515 148 P HA -0.115 nan 4.420 nan 0.000 0.220 148 P C 1.109 178.364 177.300 -0.074 0.000 1.148 148 P CA 1.159 64.204 63.100 -0.091 0.000 0.803 148 P CB 0.163 31.787 31.700 -0.126 0.000 0.782 149 R N -2.162 118.260 120.500 -0.130 0.000 2.300 149 R HA 0.141 4.482 4.340 0.001 0.000 0.199 149 R C 0.382 176.666 176.300 -0.027 0.000 0.920 149 R CA -0.108 55.929 56.100 -0.105 0.000 1.046 149 R CB -0.465 29.627 30.300 -0.348 0.000 0.984 149 R HN 0.172 nan 8.270 nan 0.000 0.493 150 C N 0.846 120.134 119.300 -0.020 0.000 2.373 150 C HA 0.186 4.647 4.460 0.001 0.000 0.354 150 C C 1.951 176.918 174.990 -0.038 0.000 1.249 150 C CA -0.626 58.407 59.018 0.024 0.000 1.784 150 C CB 0.342 28.164 27.740 0.136 0.000 2.408 150 C HN 0.298 nan 8.230 nan 0.000 0.542 151 V N 6.119 125.961 119.914 -0.120 0.000 3.461 151 V HA 0.202 4.322 4.120 0.001 0.000 0.267 151 V C 1.735 177.862 176.094 0.055 0.000 1.186 151 V CA 2.045 64.174 62.300 -0.285 0.000 1.154 151 V CB -0.190 31.486 31.823 -0.245 0.000 0.802 151 V HN 1.065 nan 8.190 nan 0.000 0.474 152 G N -0.592 108.282 108.800 0.123 0.000 3.609 152 G HA2 0.091 4.052 3.960 0.001 0.000 0.280 152 G HA3 0.091 4.052 3.960 0.001 0.000 0.280 152 G C 1.133 176.159 174.900 0.210 0.000 1.155 152 G CA -0.387 44.822 45.100 0.182 0.000 0.876 152 G HN 0.426 nan 8.290 nan 0.000 0.535 153 R N -0.316 120.217 120.500 0.055 0.000 2.357 153 R HA 0.050 4.391 4.340 0.001 0.000 0.202 153 R C 1.998 177.971 176.300 -0.546 0.000 1.047 153 R CA 0.007 55.861 56.100 -0.410 0.000 1.034 153 R CB -0.095 29.826 30.300 -0.632 0.000 0.875 153 R HN 0.409 nan 8.270 nan 0.000 0.473 154 I N 1.102 121.535 120.570 -0.227 0.000 2.423 154 I HA -0.256 3.914 4.170 0.001 0.000 0.254 154 I C 1.535 177.627 176.117 -0.042 0.000 1.151 154 I CA 1.641 62.939 61.300 -0.003 0.000 1.421 154 I CB 0.074 38.141 38.000 0.111 0.000 1.079 154 I HN 0.099 nan 8.210 nan 0.000 0.431 155 Q N -0.009 119.730 119.800 -0.101 0.000 2.403 155 Q HA -0.070 4.270 4.340 0.001 0.000 0.203 155 Q C 1.707 177.349 176.000 -0.598 0.000 0.932 155 Q CA 0.416 56.147 55.803 -0.120 0.000 0.945 155 Q CB -0.402 28.476 28.738 0.233 0.000 1.045 155 Q HN 0.829 nan 8.270 nan 0.000 0.511 156 W N 0.064 120.616 121.300 -1.247 0.000 2.321 156 W HA -0.145 4.515 4.660 0.001 0.000 0.285 156 W C 1.093 177.274 176.519 -0.564 0.000 1.213 156 W CA 1.199 57.565 57.345 -1.632 0.000 1.205 156 W CB -1.252 27.472 29.460 -1.226 0.000 1.134 156 W HN 0.065 nan 8.180 nan 0.000 0.549 157 G N 1.161 109.311 108.800 -1.084 0.000 2.551 157 G HA2 -0.103 3.857 3.960 0.001 0.000 0.216 157 G HA3 -0.103 3.857 3.960 0.001 0.000 0.216 157 G C 0.829 175.551 174.900 -0.297 0.000 1.137 157 G CA -0.193 44.400 45.100 -0.844 0.000 0.798 157 G HN 0.178 nan 8.290 nan 0.000 0.536 158 K N 0.508 120.828 120.400 -0.134 0.000 2.229 158 K HA 0.413 4.734 4.320 0.001 0.000 0.247 158 K C -1.495 175.228 176.600 0.207 0.000 1.117 158 K CA -0.438 55.876 56.287 0.045 0.000 1.036 158 K CB 1.044 33.597 32.500 0.090 0.000 1.654 158 K HN 0.106 nan 8.250 nan 0.000 0.405 159 L N 2.052 123.371 121.223 0.161 0.000 2.439 159 L HA 0.250 4.591 4.340 0.001 0.000 0.270 159 L C -1.058 175.819 176.870 0.012 0.000 0.972 159 L CA -0.583 54.361 54.840 0.174 0.000 0.836 159 L CB 1.823 44.063 42.059 0.303 0.000 1.255 159 L HN 0.279 nan 8.230 nan 0.000 0.404 160 Q N 3.428 123.193 119.800 -0.059 0.000 2.295 160 Q HA 0.512 4.853 4.340 0.001 0.000 0.259 160 Q C -1.552 174.153 176.000 -0.491 0.000 0.976 160 Q CA -0.026 55.584 55.803 -0.322 0.000 0.923 160 Q CB 1.166 29.643 28.738 -0.435 0.000 1.185 160 Q HN 0.530 nan 8.270 nan 0.000 0.410 161 V N 6.334 125.939 119.914 -0.515 0.000 2.370 161 V HA 0.445 4.566 4.120 0.001 0.000 0.283 161 V C -0.585 175.158 176.094 -0.584 0.000 1.023 161 V CA -0.546 61.496 62.300 -0.429 0.000 0.857 161 V CB 0.535 32.219 31.823 -0.232 0.000 0.985 161 V HN 0.670 nan 8.190 nan 0.000 0.443 162 F N 2.514 122.304 119.950 -0.266 0.000 2.415 162 F HA 0.417 4.945 4.527 0.001 0.000 0.348 162 F C 0.411 176.019 175.800 -0.319 0.000 1.119 162 F CA -0.529 57.307 58.000 -0.274 0.000 1.069 162 F CB 1.366 40.196 39.000 -0.283 0.000 1.124 162 F HN 0.420 nan 8.300 nan 0.000 0.472 163 D N 3.179 123.517 120.400 -0.104 0.000 2.428 163 D HA 0.386 5.026 4.640 0.001 0.000 0.221 163 D C -0.144 175.977 176.300 -0.299 0.000 1.123 163 D CA -0.129 53.754 54.000 -0.196 0.000 0.869 163 D CB 1.165 41.896 40.800 -0.115 0.000 1.032 163 D HN 0.592 nan 8.370 nan 0.000 0.506 164 A N 4.527 126.980 122.820 -0.610 0.000 2.827 164 A HA 0.191 4.511 4.320 0.001 0.000 0.300 164 A C 1.461 178.755 177.584 -0.484 0.000 1.237 164 A CA -0.435 51.022 52.037 -0.967 0.000 0.964 164 A CB -0.083 17.628 19.000 -2.148 0.000 1.143 164 A HN 0.532 nan 8.150 nan 0.000 0.554 165 R N 0.392 120.750 120.500 -0.237 0.000 2.339 165 R HA -0.056 4.285 4.340 0.001 0.000 0.199 165 R C 0.379 176.660 176.300 -0.031 0.000 1.018 165 R CA 1.144 57.190 56.100 -0.090 0.000 1.036 165 R CB 0.114 30.408 30.300 -0.011 0.000 0.899 165 R HN 0.674 nan 8.270 nan 0.000 0.473 166 D N -1.268 119.126 120.400 -0.010 0.000 2.369 166 D HA -0.039 4.602 4.640 0.001 0.000 0.211 166 D C 0.266 176.628 176.300 0.103 0.000 1.077 166 D CA -0.390 53.647 54.000 0.061 0.000 0.842 166 D CB -0.506 40.346 40.800 0.086 0.000 0.947 166 D HN -0.048 nan 8.370 nan 0.000 0.509 167 C N 1.338 120.679 119.300 0.069 0.000 2.596 167 C HA 0.166 4.627 4.460 0.001 0.000 0.414 167 C C 1.476 176.564 174.990 0.164 0.000 1.396 167 C CA -0.070 59.030 59.018 0.137 0.000 1.698 167 C CB -0.485 27.290 27.740 0.059 0.000 2.572 167 C HN 0.351 nan 8.230 nan 0.000 0.604 168 R N 2.318 122.982 120.500 0.274 0.000 2.453 168 R HA 0.178 4.519 4.340 0.001 0.000 0.233 168 R C 0.330 176.845 176.300 0.359 0.000 0.895 168 R CA 0.329 56.634 56.100 0.341 0.000 1.028 168 R CB 0.271 30.694 30.300 0.205 0.000 1.255 168 R HN 0.794 nan 8.270 nan 0.000 0.571 169 S N -1.467 114.432 115.700 0.332 0.000 2.651 169 S HA 0.579 5.050 4.470 0.001 0.000 0.279 169 S C 0.614 175.362 174.600 0.247 0.000 1.148 169 S CA -0.378 57.973 58.200 0.251 0.000 0.837 169 S CB 1.896 65.194 63.200 0.163 0.000 1.138 169 S HN -0.001 nan 8.310 nan 0.000 0.478 170 A N 0.821 123.744 122.820 0.172 0.000 1.902 170 A HA -0.102 4.218 4.320 0.001 0.000 0.217 170 A C 2.132 179.686 177.584 -0.050 0.000 1.181 170 A CA 2.264 54.362 52.037 0.101 0.000 0.623 170 A CB -1.364 17.753 19.000 0.195 0.000 0.818 170 A HN 0.913 nan 8.150 nan 0.000 0.443 171 Q N 0.361 120.220 119.800 0.100 0.000 2.135 171 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 171 Q C 1.779 177.797 176.000 0.029 0.000 0.981 171 Q CA 2.332 58.178 55.803 0.070 0.000 0.856 171 Q CB -0.382 28.476 28.738 0.200 0.000 0.902 171 Q HN 0.773 nan 8.270 nan 0.000 0.425 172 E N -0.526 119.726 120.200 0.087 0.000 2.046 172 E HA -0.150 4.201 4.350 0.001 0.000 0.190 172 E C 2.121 178.837 176.600 0.193 0.000 0.982 172 E CA 1.214 57.681 56.400 0.111 0.000 0.800 172 E CB -0.246 29.566 29.700 0.185 0.000 0.756 172 E HN 0.451 nan 8.360 nan 0.000 0.449 173 M N 0.296 120.009 119.600 0.187 0.000 2.089 173 M HA -0.217 4.264 4.480 0.001 0.000 0.257 173 M C 2.313 178.693 176.300 0.134 0.000 1.071 173 M CA 1.555 56.956 55.300 0.168 0.000 1.096 173 M CB -0.408 32.088 32.600 -0.173 0.000 1.330 173 M HN 0.093 nan 8.290 nan 0.000 0.403 174 F N 1.033 120.801 119.950 -0.305 0.000 2.102 174 F HA -0.201 4.327 4.527 0.001 0.000 0.298 174 F C 2.386 178.089 175.800 -0.163 0.000 1.105 174 F CA 1.952 59.719 58.000 -0.389 0.000 1.239 174 F CB -0.865 37.609 39.000 -0.877 0.000 0.991 174 F HN 0.051 nan 8.300 nan 0.000 0.474 175 T N -0.474 113.959 114.554 -0.201 0.000 2.720 175 T HA -0.250 4.101 4.350 0.001 0.000 0.268 175 T C 1.813 176.358 174.700 -0.258 0.000 1.037 175 T CA 1.903 63.825 62.100 -0.297 0.000 1.144 175 T CB -0.773 67.962 68.868 -0.222 0.000 0.864 175 T HN 0.364 nan 8.240 nan 0.000 0.444 176 Y N 0.806 121.040 120.300 -0.111 0.000 2.145 176 Y HA -0.088 4.463 4.550 0.001 0.000 0.286 176 Y C 2.318 178.136 175.900 -0.137 0.000 1.145 176 Y CA 0.913 58.945 58.100 -0.112 0.000 1.148 176 Y CB -0.275 38.195 38.460 0.017 0.000 0.981 176 Y HN 0.146 nan 8.280 nan 0.000 0.507 177 I N -1.258 119.383 120.570 0.119 0.000 2.208 177 I HA -0.385 3.786 4.170 0.001 0.000 0.245 177 I C 2.329 178.370 176.117 -0.127 0.000 1.097 177 I CA 1.074 62.379 61.300 0.008 0.000 1.363 177 I CB -0.535 37.470 38.000 0.009 0.000 1.051 177 I HN 0.341 nan 8.210 nan 0.000 0.413 178 C N 0.763 119.886 119.300 -0.295 0.000 2.429 178 C HA -0.137 4.324 4.460 0.001 0.000 0.277 178 C C 2.604 177.486 174.990 -0.181 0.000 1.262 178 C CA 0.818 59.652 59.018 -0.308 0.000 1.733 178 C CB -1.461 25.974 27.740 -0.508 0.000 2.010 178 C HN 0.556 nan 8.230 nan 0.000 0.483 179 N N -0.072 118.510 118.700 -0.198 0.000 2.188 179 N HA -0.130 4.611 4.740 0.001 0.000 0.184 179 N C 1.437 176.834 175.510 -0.189 0.000 1.018 179 N CA 1.357 54.290 53.050 -0.194 0.000 0.858 179 N CB -0.838 37.485 38.487 -0.273 0.000 0.989 179 N HN 0.758 nan 8.380 nan 0.000 0.426 180 H N 0.622 119.475 119.070 -0.362 0.000 2.290 180 H HA 0.026 4.582 4.556 0.001 0.000 0.298 180 H C 2.114 177.422 175.328 -0.034 0.000 1.087 180 H CA 1.558 57.424 56.048 -0.304 0.000 1.291 180 H CB -0.076 29.558 29.762 -0.214 0.000 1.369 180 H HN 0.071 nan 8.280 nan 0.000 0.492 181 I N 0.659 121.328 120.570 0.165 0.000 2.208 181 I HA -0.284 3.887 4.170 0.001 0.000 0.245 181 I C 2.574 178.755 176.117 0.107 0.000 1.097 181 I CA 1.390 62.757 61.300 0.111 0.000 1.363 181 I CB -0.251 37.743 38.000 -0.010 0.000 1.051 181 I HN 0.327 nan 8.210 nan 0.000 0.413 182 K N -0.108 120.329 120.400 0.062 0.000 2.026 182 K HA -0.239 4.082 4.320 0.001 0.000 0.208 182 K C 2.246 178.907 176.600 0.101 0.000 1.048 182 K CA 1.838 58.158 56.287 0.055 0.000 0.929 182 K CB -0.358 32.154 32.500 0.020 0.000 0.713 182 K HN 0.244 nan 8.250 nan 0.000 0.439 183 Y N 1.138 121.460 120.300 0.037 0.000 2.070 183 Y HA -0.287 4.263 4.550 0.001 0.000 0.280 183 Y C 2.136 178.109 175.900 0.122 0.000 1.148 183 Y CA 1.829 59.988 58.100 0.097 0.000 1.125 183 Y CB -0.414 38.161 38.460 0.192 0.000 0.975 183 Y HN 0.072 nan 8.280 nan 0.000 0.492 184 A N -0.708 122.306 122.820 0.323 0.000 1.933 184 A HA -0.182 4.139 4.320 0.001 0.000 0.218 184 A C 2.195 179.849 177.584 0.116 0.000 1.175 184 A CA 2.279 54.462 52.037 0.242 0.000 0.628 184 A CB -1.329 17.895 19.000 0.374 0.000 0.814 184 A HN 0.551 nan 8.150 nan 0.000 0.444 185 T N -0.236 114.380 114.554 0.104 0.000 2.777 185 T HA -0.100 4.251 4.350 0.001 0.000 0.266 185 T C 1.063 175.774 174.700 0.018 0.000 1.040 185 T CA 1.145 63.290 62.100 0.076 0.000 1.141 185 T CB -0.439 68.469 68.868 0.067 0.000 0.868 185 T HN 0.677 nan 8.240 nan 0.000 0.444 186 N N 1.220 119.902 118.700 -0.031 0.000 2.698 186 N HA -0.276 4.465 4.740 0.001 0.000 0.258 186 N C 0.160 175.645 175.510 -0.042 0.000 0.978 186 N CA 0.656 53.662 53.050 -0.075 0.000 0.777 186 N CB -1.169 37.227 38.487 -0.151 0.000 0.907 186 N HN 0.509 nan 8.380 nan 0.000 0.543 187 R N -2.595 117.894 120.500 -0.020 0.000 4.023 187 R HA -0.253 4.088 4.340 0.001 0.000 0.368 187 R C 1.314 177.604 176.300 -0.018 0.000 1.187 187 R CA 1.392 57.481 56.100 -0.017 0.000 1.089 187 R CB -1.878 28.407 30.300 -0.024 0.000 1.574 187 R HN 0.953 nan 8.270 nan 0.000 0.564 188 G N -0.152 108.643 108.800 -0.009 0.000 2.545 188 G HA2 -0.250 3.711 3.960 0.001 0.000 0.195 188 G HA3 -0.250 3.711 3.960 0.001 0.000 0.195 188 G C -0.202 174.687 174.900 -0.018 0.000 1.009 188 G CA -0.079 45.016 45.100 -0.008 0.000 0.703 188 G HN 0.280 nan 8.290 nan 0.000 0.479 189 N N 2.086 120.762 118.700 -0.039 0.000 2.918 189 N HA 0.475 5.215 4.740 0.001 0.000 0.247 189 N C 0.693 176.174 175.510 -0.048 0.000 1.117 189 N CA -0.387 52.621 53.050 -0.070 0.000 1.005 189 N CB -0.318 38.122 38.487 -0.079 0.000 1.297 189 N HN 0.388 nan 8.380 nan 0.000 0.513 190 L N 2.026 123.249 121.223 0.000 0.000 2.514 190 L HA 0.159 4.500 4.340 0.001 0.000 0.280 190 L C 0.771 177.769 176.870 0.213 0.000 1.223 190 L CA 0.280 55.199 54.840 0.133 0.000 0.864 190 L CB 0.257 42.491 42.059 0.290 0.000 1.118 190 L HN 0.343 nan 8.230 nan 0.000 0.494 191 R N 1.547 122.180 120.500 0.221 0.000 2.621 191 R HA 0.379 4.719 4.340 0.001 0.000 0.292 191 R C -0.733 175.752 176.300 0.308 0.000 0.969 191 R CA -0.676 55.580 56.100 0.260 0.000 0.887 191 R CB 2.146 32.450 30.300 0.008 0.000 1.180 191 R HN 0.565 nan 8.270 nan 0.000 0.450 192 S N 1.263 117.132 115.700 0.282 0.000 2.564 192 S HA 0.537 5.007 4.470 0.001 0.000 0.278 192 S C -0.353 174.323 174.600 0.126 0.000 1.333 192 S CA -0.218 58.035 58.200 0.088 0.000 1.048 192 S CB 1.276 64.434 63.200 -0.070 0.000 0.900 192 S HN 0.696 nan 8.310 nan 0.000 0.505 193 A N 2.507 125.368 122.820 0.068 0.000 2.612 193 A HA 0.808 5.129 4.320 0.001 0.000 0.293 193 A C -1.375 176.246 177.584 0.062 0.000 1.075 193 A CA -0.657 51.375 52.037 -0.009 0.000 0.680 193 A CB 1.130 20.101 19.000 -0.048 0.000 1.279 193 A HN 0.810 nan 8.150 nan 0.000 0.411 194 I N 0.388 120.982 120.570 0.039 0.000 2.656 194 I HA 0.660 4.830 4.170 0.001 0.000 0.292 194 I C -1.280 174.937 176.117 0.168 0.000 1.144 194 I CA -0.146 61.293 61.300 0.231 0.000 1.038 194 I CB 2.406 40.516 38.000 0.182 0.000 1.244 194 I HN 0.592 nan 8.210 nan 0.000 0.420 195 T N 6.435 121.130 114.554 0.234 0.000 2.791 195 T HA 0.442 4.793 4.350 0.001 0.000 0.288 195 T C -0.665 173.889 174.700 -0.244 0.000 0.999 195 T CA -0.370 61.717 62.100 -0.023 0.000 0.952 195 T CB 1.443 70.294 68.868 -0.029 0.000 0.938 195 T HN 0.278 nan 8.240 nan 0.000 0.444 196 V N 4.943 124.633 119.914 -0.373 0.000 2.370 196 V HA 0.494 4.615 4.120 0.001 0.000 0.279 196 V C -0.336 175.475 176.094 -0.471 0.000 1.029 196 V CA -0.731 61.356 62.300 -0.355 0.000 0.870 196 V CB 0.109 31.657 31.823 -0.459 0.000 0.984 196 V HN 0.736 nan 8.190 nan 0.000 0.451 197 F N 4.646 124.522 119.950 -0.124 0.000 2.410 197 F HA 0.519 5.047 4.527 0.001 0.000 0.324 197 F C -1.814 173.948 175.800 -0.062 0.000 1.093 197 F CA -2.470 55.389 58.000 -0.236 0.000 1.028 197 F CB 0.550 39.361 39.000 -0.316 0.000 1.309 197 F HN 0.301 nan 8.300 nan 0.000 0.499 198 P HA -0.081 nan 4.420 nan 0.000 0.264 198 P C -1.122 176.268 177.300 0.150 0.000 1.173 198 P CA 0.167 63.310 63.100 0.071 0.000 0.761 198 P CB 0.206 31.928 31.700 0.037 0.000 0.794 199 Q N 2.997 122.770 119.800 -0.044 0.000 2.382 199 Q HA 0.212 4.553 4.340 0.001 0.000 0.229 199 Q C 0.156 176.029 176.000 -0.211 0.000 1.006 199 Q CA -0.839 54.682 55.803 -0.470 0.000 0.916 199 Q CB 0.760 28.963 28.738 -0.892 0.000 1.235 199 Q HN 0.291 nan 8.270 nan 0.000 0.512 200 R N 0.403 120.751 120.500 -0.252 0.000 2.640 200 R HA 0.107 4.448 4.340 0.001 0.000 0.270 200 R C -1.349 174.886 176.300 -0.108 0.000 1.024 200 R CA 0.108 56.136 56.100 -0.120 0.000 1.085 200 R CB 0.303 30.529 30.300 -0.124 0.000 0.963 200 R HN 0.698 nan 8.270 nan 0.000 0.426 201 C N 5.665 124.936 119.300 -0.048 0.000 2.563 201 C HA 0.464 4.925 4.460 0.001 0.000 0.314 201 C C -2.373 172.603 174.990 -0.025 0.000 1.199 201 C CA -1.608 57.389 59.018 -0.035 0.000 1.564 201 C CB 1.807 29.545 27.740 -0.004 0.000 2.173 201 C HN 0.743 nan 8.230 nan 0.000 0.485 202 P HA 0.290 nan 4.420 nan 0.000 0.271 202 P C 0.457 177.753 177.300 -0.005 0.000 1.233 202 P CA 1.436 64.529 63.100 -0.012 0.000 0.764 202 P CB 0.276 31.972 31.700 -0.007 0.000 0.825 203 G N 2.464 111.261 108.800 -0.006 0.000 2.289 203 G HA2 -0.240 3.721 3.960 0.001 0.000 0.280 203 G HA3 -0.240 3.721 3.960 0.001 0.000 0.280 203 G C -0.053 174.845 174.900 -0.003 0.000 1.089 203 G CA -0.154 44.944 45.100 -0.003 0.000 0.939 203 G HN 0.750 nan 8.290 nan 0.000 0.499 204 R N -0.940 119.555 120.500 -0.008 0.000 2.907 204 R HA 0.482 4.822 4.340 0.001 0.000 0.246 204 R C 0.657 176.943 176.300 -0.022 0.000 1.082 204 R CA -0.152 55.941 56.100 -0.012 0.000 1.003 204 R CB 0.177 30.476 30.300 -0.002 0.000 1.261 204 R HN 0.969 nan 8.270 nan 0.000 0.474 205 G N 1.767 110.544 108.800 -0.038 0.000 2.664 205 G HA2 0.120 4.080 3.960 0.001 0.000 0.242 205 G HA3 0.120 4.080 3.960 0.001 0.000 0.242 205 G C -0.550 174.315 174.900 -0.059 0.000 1.225 205 G CA -0.268 44.804 45.100 -0.046 0.000 0.849 205 G HN 0.595 nan 8.290 nan 0.000 0.581 206 D N -0.725 119.653 120.400 -0.036 0.000 2.277 206 D HA 0.361 5.001 4.640 0.001 0.000 0.250 206 D C -0.261 176.025 176.300 -0.024 0.000 1.032 206 D CA -0.089 53.918 54.000 0.012 0.000 0.947 206 D CB 1.190 42.017 40.800 0.045 0.000 1.159 206 D HN 0.118 nan 8.370 nan 0.000 0.460 207 F N 0.859 120.827 119.950 0.030 0.000 2.399 207 F HA 0.327 4.854 4.527 0.001 0.000 0.342 207 F C 1.048 176.860 175.800 0.020 0.000 1.106 207 F CA 0.166 58.169 58.000 0.005 0.000 1.196 207 F CB 0.710 39.695 39.000 -0.025 0.000 1.163 207 F HN -0.183 nan 8.300 nan 0.000 0.547 208 R N 3.234 123.847 120.500 0.190 0.000 2.643 208 R HA 0.479 4.819 4.340 0.001 0.000 0.269 208 R C -1.487 174.946 176.300 0.221 0.000 1.037 208 R CA -0.806 55.409 56.100 0.192 0.000 0.894 208 R CB 1.963 32.386 30.300 0.206 0.000 1.238 208 R HN 0.611 nan 8.270 nan 0.000 0.459 209 I N 1.870 122.552 120.570 0.187 0.000 2.330 209 I HA 0.191 4.361 4.170 0.001 0.000 0.289 209 I C 0.497 176.808 176.117 0.322 0.000 1.001 209 I CA -0.466 60.943 61.300 0.182 0.000 1.193 209 I CB 1.265 39.305 38.000 0.067 0.000 1.345 209 I HN 0.531 nan 8.210 nan 0.000 0.461 210 W N 3.485 124.815 121.300 0.051 0.000 2.402 210 W HA -0.082 4.578 4.660 0.001 0.000 0.286 210 W C 0.953 177.562 176.519 0.149 0.000 1.221 210 W CA 0.149 57.587 57.345 0.157 0.000 1.257 210 W CB -0.807 28.688 29.460 0.057 0.000 1.120 210 W HN 0.414 nan 8.180 nan 0.000 0.551 211 N N 0.015 118.863 118.700 0.247 0.000 2.479 211 N HA 0.016 4.757 4.740 0.001 0.000 0.257 211 N C 1.271 176.843 175.510 0.104 0.000 1.232 211 N CA 0.852 53.977 53.050 0.124 0.000 0.920 211 N CB 0.701 39.198 38.487 0.017 0.000 1.105 211 N HN -0.098 nan 8.380 nan 0.000 0.444 212 S N 0.425 116.183 115.700 0.096 0.000 2.461 212 S HA -0.009 4.462 4.470 0.001 0.000 0.228 212 S C 0.332 174.936 174.600 0.007 0.000 1.005 212 S CA 0.565 58.814 58.200 0.082 0.000 0.942 212 S CB 0.064 63.341 63.200 0.128 0.000 0.776 212 S HN 0.648 nan 8.310 nan 0.000 0.514 213 Q N -0.744 119.038 119.800 -0.029 0.000 2.416 213 Q HA 0.508 4.848 4.340 0.001 0.000 0.281 213 Q C 0.154 176.065 176.000 -0.148 0.000 1.067 213 Q CA -0.561 55.182 55.803 -0.101 0.000 0.809 213 Q CB 1.975 30.671 28.738 -0.070 0.000 1.418 213 Q HN 0.105 nan 8.270 nan 0.000 0.411 214 L N 0.150 121.257 121.223 -0.193 0.000 2.141 214 L HA 0.025 4.366 4.340 0.001 0.000 0.209 214 L C 0.333 177.056 176.870 -0.245 0.000 1.094 214 L CA 0.873 55.599 54.840 -0.191 0.000 0.763 214 L CB 0.149 42.080 42.059 -0.212 0.000 0.908 214 L HN 0.273 nan 8.230 nan 0.000 0.437 215 V N 0.430 120.112 119.914 -0.387 0.000 2.487 215 V HA 0.563 4.684 4.120 0.001 0.000 0.298 215 V C -0.296 175.248 176.094 -0.917 0.000 1.028 215 V CA -0.739 61.167 62.300 -0.655 0.000 0.860 215 V CB 1.918 33.228 31.823 -0.856 0.000 0.991 215 V HN 0.168 nan 8.190 nan 0.000 0.427 216 R N 2.440 122.511 120.500 -0.714 0.000 2.664 216 R HA 0.410 4.751 4.340 0.001 0.000 0.266 216 R C -1.815 174.278 176.300 -0.346 0.000 1.046 216 R CA -0.715 55.078 56.100 -0.512 0.000 0.885 216 R CB 2.107 32.303 30.300 -0.173 0.000 1.254 216 R HN 0.701 nan 8.270 nan 0.000 0.465 217 Y N 0.245 120.557 120.300 0.021 0.000 2.320 217 Y HA 0.511 5.061 4.550 0.001 0.000 0.324 217 Y C 1.125 177.025 175.900 -0.001 0.000 1.190 217 Y CA -0.872 57.262 58.100 0.057 0.000 1.215 217 Y CB 1.465 40.033 38.460 0.181 0.000 1.221 217 Y HN 0.652 nan 8.280 nan 0.000 0.486 218 A N 1.598 124.492 122.820 0.122 0.000 2.406 218 A HA 0.522 4.842 4.320 0.001 0.000 0.243 218 A C 0.465 177.849 177.584 -0.333 0.000 1.082 218 A CA 0.264 52.196 52.037 -0.175 0.000 0.786 218 A CB -0.216 18.603 19.000 -0.303 0.000 1.029 218 A HN 0.913 nan 8.150 nan 0.000 0.495 219 G N 0.277 108.811 108.800 -0.444 0.000 2.675 219 G HA2 0.545 4.506 3.960 0.001 0.000 0.297 219 G HA3 0.545 4.506 3.960 0.001 0.000 0.297 219 G C -1.248 173.451 174.900 -0.335 0.000 1.399 219 G CA -0.242 44.673 45.100 -0.309 0.000 0.981 219 G HN 0.499 nan 8.290 nan 0.000 0.519 220 Y N 1.573 121.889 120.300 0.026 0.000 2.342 220 Y HA 0.425 4.976 4.550 0.001 0.000 0.338 220 Y C 1.068 176.970 175.900 0.004 0.000 0.965 220 Y CA -0.986 57.127 58.100 0.021 0.000 1.159 220 Y CB 1.367 39.833 38.460 0.009 0.000 1.157 220 Y HN 0.313 nan 8.280 nan 0.000 0.486 221 R N 3.455 124.042 120.500 0.145 0.000 2.351 221 R HA 0.112 4.453 4.340 0.001 0.000 0.318 221 R C -0.119 176.226 176.300 0.075 0.000 1.055 221 R CA -0.396 55.754 56.100 0.084 0.000 0.968 221 R CB 0.410 30.747 30.300 0.061 0.000 0.974 221 R HN 0.600 nan 8.270 nan 0.000 0.439 222 Q N 1.575 121.409 119.800 0.056 0.000 2.318 222 Q HA 0.081 4.421 4.340 0.001 0.000 0.222 222 Q C -0.153 175.859 176.000 0.021 0.000 1.003 222 Q CA -0.401 55.421 55.803 0.033 0.000 0.936 222 Q CB 0.652 29.405 28.738 0.023 0.000 1.204 222 Q HN 0.267 nan 8.270 nan 0.000 0.524 223 Q N 1.925 121.730 119.800 0.010 0.000 2.377 223 Q HA 0.226 4.566 4.340 0.001 0.000 0.249 223 Q C -1.131 174.873 176.000 0.006 0.000 1.005 223 Q CA 0.211 56.018 55.803 0.007 0.000 0.912 223 Q CB -0.027 28.711 28.738 0.001 0.000 1.223 223 Q HN 0.685 nan 8.270 nan 0.000 0.459 224 D N 1.465 121.871 120.400 0.010 0.000 4.435 224 D HA -0.060 4.581 4.640 0.001 0.000 0.099 224 D C 0.735 177.043 176.300 0.013 0.000 0.397 224 D CA 0.599 54.604 54.000 0.009 0.000 0.575 224 D CB -1.418 39.386 40.800 0.007 0.000 1.641 224 D HN 0.678 nan 8.370 nan 0.000 0.017 225 G N 0.253 109.062 108.800 0.016 0.000 2.257 225 G HA2 -0.289 3.671 3.960 0.001 0.000 0.267 225 G HA3 -0.289 3.671 3.960 0.001 0.000 0.267 225 G C 0.621 175.534 174.900 0.022 0.000 0.984 225 G CA 1.465 46.577 45.100 0.020 0.000 0.626 225 G HN 1.508 nan 8.290 nan 0.000 0.540 226 S N -1.117 114.596 115.700 0.020 0.000 2.626 226 S HA 0.694 5.164 4.470 0.001 0.000 0.257 226 S C -0.000 174.614 174.600 0.023 0.000 1.288 226 S CA 0.077 58.289 58.200 0.020 0.000 0.980 226 S CB 2.239 65.449 63.200 0.018 0.000 0.975 226 S HN 1.154 nan 8.310 nan 0.000 0.577 227 V N 0.910 120.832 119.914 0.014 0.000 2.623 227 V HA 0.505 4.626 4.120 0.001 0.000 0.304 227 V C -0.184 175.910 176.094 0.001 0.000 1.054 227 V CA -0.762 61.545 62.300 0.011 0.000 0.882 227 V CB 1.625 33.437 31.823 -0.018 0.000 1.002 227 V HN 0.945 nan 8.190 nan 0.000 0.424 228 R N 3.110 123.643 120.500 0.055 0.000 2.229 228 R HA 0.694 5.034 4.340 0.001 0.000 0.328 228 R C 0.524 176.852 176.300 0.046 0.000 1.009 228 R CA 0.953 57.092 56.100 0.065 0.000 0.864 228 R CB 1.018 31.394 30.300 0.127 0.000 1.085 228 R HN 1.262 nan 8.270 nan 0.000 0.453 229 G N 2.862 111.614 108.800 -0.080 0.000 2.451 229 G HA2 -0.229 3.732 3.960 0.001 0.000 0.208 229 G HA3 -0.229 3.732 3.960 0.001 0.000 0.208 229 G C -1.367 173.257 174.900 -0.461 0.000 1.248 229 G CA -0.267 44.744 45.100 -0.149 0.000 0.989 229 G HN 0.632 nan 8.290 nan 0.000 0.559 230 D N 1.508 121.739 120.400 -0.282 0.000 2.365 230 D HA 0.491 5.131 4.640 0.001 0.000 0.237 230 D C -0.956 175.244 176.300 -0.167 0.000 1.190 230 D CA -1.752 52.054 54.000 -0.323 0.000 0.867 230 D CB 1.352 42.254 40.800 0.169 0.000 1.050 230 D HN -0.017 nan 8.370 nan 0.000 0.491 231 P HA -0.150 nan 4.420 nan 0.000 0.218 231 P C 0.935 178.241 177.300 0.009 0.000 1.146 231 P CA 1.072 64.131 63.100 -0.068 0.000 0.813 231 P CB 0.264 31.934 31.700 -0.051 0.000 0.778 232 A N -0.714 122.129 122.820 0.038 0.000 2.070 232 A HA -0.133 4.188 4.320 0.001 0.000 0.220 232 A C 1.606 179.247 177.584 0.097 0.000 1.159 232 A CA 1.386 53.483 52.037 0.100 0.000 0.656 232 A CB -0.837 18.247 19.000 0.140 0.000 0.800 232 A HN 0.172 nan 8.150 nan 0.000 0.453 233 N N -0.414 118.322 118.700 0.061 0.000 2.275 233 N HA 0.146 4.886 4.740 0.001 0.000 0.236 233 N C 1.045 176.555 175.510 0.001 0.000 1.154 233 N CA 0.171 53.247 53.050 0.043 0.000 0.866 233 N CB 0.722 39.232 38.487 0.039 0.000 1.093 233 N HN 0.196 nan 8.380 nan 0.000 0.515 234 V N 1.005 120.922 119.914 0.005 0.000 2.332 234 V HA -0.241 3.879 4.120 0.001 0.000 0.248 234 V C 2.458 178.561 176.094 0.015 0.000 1.055 234 V CA 1.815 64.114 62.300 -0.001 0.000 1.038 234 V CB -0.275 31.560 31.823 0.020 0.000 0.651 234 V HN 0.400 nan 8.190 nan 0.000 0.450 235 E N -0.007 120.215 120.200 0.037 0.000 2.031 235 E HA -0.245 4.105 4.350 0.001 0.000 0.193 235 E C 2.283 178.851 176.600 -0.053 0.000 0.994 235 E CA 1.819 58.234 56.400 0.025 0.000 0.800 235 E CB -0.184 29.578 29.700 0.103 0.000 0.752 235 E HN 0.595 nan 8.360 nan 0.000 0.447 236 I N 0.520 121.063 120.570 -0.044 0.000 2.394 236 I HA -0.215 3.956 4.170 0.001 0.000 0.251 236 I C 1.953 178.027 176.117 -0.071 0.000 1.136 236 I CA 1.227 62.466 61.300 -0.103 0.000 1.425 236 I CB -0.072 37.909 38.000 -0.032 0.000 1.079 236 I HN 0.193 nan 8.210 nan 0.000 0.425 237 T N 0.556 115.090 114.554 -0.032 0.000 2.708 237 T HA -0.203 4.148 4.350 0.001 0.000 0.266 237 T C 1.642 176.412 174.700 0.117 0.000 1.037 237 T CA 1.708 63.824 62.100 0.027 0.000 1.146 237 T CB -0.185 68.657 68.868 -0.042 0.000 0.865 237 T HN 0.447 nan 8.240 nan 0.000 0.435 238 E N 0.477 120.717 120.200 0.067 0.000 2.153 238 E HA -0.022 4.328 4.350 0.001 0.000 0.194 238 E C 2.175 178.815 176.600 0.066 0.000 0.988 238 E CA 0.650 57.098 56.400 0.081 0.000 0.811 238 E CB -0.196 29.533 29.700 0.047 0.000 0.746 238 E HN 0.398 nan 8.360 nan 0.000 0.466 239 L N 0.114 121.336 121.223 -0.002 0.000 2.056 239 L HA -0.222 4.119 4.340 0.001 0.000 0.207 239 L C 2.452 179.395 176.870 0.122 0.000 1.078 239 L CA 0.747 55.599 54.840 0.020 0.000 0.749 239 L CB -0.288 41.674 42.059 -0.162 0.000 0.901 239 L HN 0.337 nan 8.230 nan 0.000 0.433 240 C N -0.208 119.124 119.300 0.053 0.000 2.425 240 C HA -0.128 4.333 4.460 0.001 0.000 0.277 240 C C 2.681 177.841 174.990 0.282 0.000 1.280 240 C CA 0.348 59.404 59.018 0.063 0.000 1.744 240 C CB -0.662 27.001 27.740 -0.128 0.000 1.989 240 C HN 0.430 nan 8.230 nan 0.000 0.491 241 I N 0.475 121.247 120.570 0.336 0.000 2.252 241 I HA -0.238 3.933 4.170 0.001 0.000 0.245 241 I C 2.675 178.870 176.117 0.130 0.000 1.102 241 I CA 1.463 62.922 61.300 0.266 0.000 1.385 241 I CB -0.666 37.448 38.000 0.191 0.000 1.064 241 I HN 0.426 nan 8.210 nan 0.000 0.414 242 Q N -0.065 119.791 119.800 0.093 0.000 2.234 242 Q HA -0.230 4.111 4.340 0.001 0.000 0.206 242 Q C 1.181 177.105 176.000 -0.128 0.000 0.980 242 Q CA 1.380 57.170 55.803 -0.021 0.000 0.869 242 Q CB -0.135 28.578 28.738 -0.043 0.000 0.912 242 Q HN 0.615 nan 8.270 nan 0.000 0.436 243 H N -1.789 117.263 119.070 -0.031 0.000 2.538 243 H HA 0.216 4.773 4.556 0.001 0.000 0.286 243 H C 0.769 176.068 175.328 -0.049 0.000 1.035 243 H CA 0.610 56.612 56.048 -0.076 0.000 1.169 243 H CB 0.649 30.310 29.762 -0.169 0.000 1.417 243 H HN 0.393 nan 8.280 nan 0.000 0.567 244 G N -0.494 108.344 108.800 0.064 0.000 2.184 244 G HA2 -0.243 3.717 3.960 0.001 0.000 0.206 244 G HA3 -0.243 3.717 3.960 0.001 0.000 0.206 244 G C -0.167 174.802 174.900 0.114 0.000 0.995 244 G CA -0.235 44.894 45.100 0.048 0.000 0.651 244 G HN 0.364 nan 8.290 nan 0.000 0.511 245 W N 2.797 124.071 121.300 -0.042 0.000 2.322 245 W HA 0.688 5.349 4.660 0.001 0.000 0.307 245 W C 0.139 176.649 176.519 -0.014 0.000 1.220 245 W CA -0.153 57.170 57.345 -0.036 0.000 1.210 245 W CB 0.995 30.437 29.460 -0.030 0.000 1.223 245 W HN 0.020 nan 8.180 nan 0.000 0.511 246 T N 9.821 124.111 114.554 -0.439 0.000 2.749 246 T HA 0.211 4.562 4.350 0.001 0.000 0.295 246 T C -1.910 172.068 174.700 -1.204 0.000 0.936 246 T CA -0.822 60.944 62.100 -0.557 0.000 1.060 246 T CB 0.698 69.371 68.868 -0.324 0.000 0.904 246 T HN 0.293 nan 8.240 nan 0.000 0.500 247 P HA 0.341 nan 4.420 nan 0.000 0.275 247 P C 0.337 177.237 177.300 -0.667 0.000 1.266 247 P CA -0.348 61.943 63.100 -1.349 0.000 0.793 247 P CB 0.820 32.148 31.700 -0.620 0.000 1.074 248 G N 0.105 108.695 108.800 -0.351 0.000 2.736 248 G HA2 0.354 4.314 3.960 0.001 0.000 0.229 248 G HA3 0.354 4.314 3.960 0.001 0.000 0.229 248 G C 0.134 174.798 174.900 -0.394 0.000 1.380 248 G CA -0.456 44.534 45.100 -0.184 0.000 1.040 248 G HN 0.703 nan 8.290 nan 0.000 0.568 249 N N -1.148 117.403 118.700 -0.248 0.000 2.286 249 N HA 0.205 4.946 4.740 0.001 0.000 0.245 249 N C 0.369 175.825 175.510 -0.089 0.000 1.363 249 N CA 0.217 53.062 53.050 -0.341 0.000 0.822 249 N CB 0.237 38.565 38.487 -0.266 0.000 1.345 249 N HN 0.690 nan 8.380 nan 0.000 0.494 250 G N 0.305 109.139 108.800 0.057 0.000 2.537 250 G HA2 0.396 4.357 3.960 0.001 0.000 0.297 250 G HA3 0.396 4.357 3.960 0.001 0.000 0.297 250 G C 0.398 175.350 174.900 0.087 0.000 1.310 250 G CA -0.705 44.444 45.100 0.082 0.000 1.027 250 G HN 0.162 nan 8.290 nan 0.000 0.505 251 R N -1.344 119.099 120.500 -0.095 0.000 2.290 251 R HA 0.179 4.520 4.340 0.001 0.000 0.197 251 R C -0.238 175.569 176.300 -0.822 0.000 0.913 251 R CA 0.411 56.265 56.100 -0.409 0.000 1.040 251 R CB 0.250 30.172 30.300 -0.629 0.000 0.992 251 R HN 0.371 nan 8.270 nan 0.000 0.500 252 F N 0.697 120.573 119.950 -0.123 0.000 2.688 252 F HA 0.261 4.789 4.527 0.001 0.000 0.376 252 F C -0.642 175.011 175.800 -0.245 0.000 1.428 252 F CA -1.234 56.377 58.000 -0.648 0.000 1.156 252 F CB 0.530 39.023 39.000 -0.846 0.000 1.141 252 F HN -0.265 nan 8.300 nan 0.000 0.521 253 D N 1.637 122.156 120.400 0.198 0.000 2.317 253 D HA 0.176 4.817 4.640 0.001 0.000 0.252 253 D C 0.251 176.798 176.300 0.411 0.000 1.174 253 D CA 0.174 54.373 54.000 0.331 0.000 0.866 253 D CB 2.338 43.392 40.800 0.423 0.000 1.127 253 D HN -0.065 nan 8.370 nan 0.000 0.467 254 V N 3.869 123.992 119.914 0.347 0.000 2.521 254 V HA 0.012 4.133 4.120 0.001 0.000 0.286 254 V C 0.929 177.053 176.094 0.051 0.000 1.034 254 V CA -0.285 62.126 62.300 0.185 0.000 1.045 254 V CB 0.416 32.300 31.823 0.102 0.000 0.974 254 V HN 0.329 nan 8.190 nan 0.000 0.480 255 L N 8.382 129.548 121.223 -0.095 0.000 2.417 255 L HA 0.346 4.687 4.340 0.001 0.000 0.268 255 L C -1.663 174.976 176.870 -0.385 0.000 1.158 255 L CA -1.383 53.261 54.840 -0.326 0.000 0.819 255 L CB 0.810 42.690 42.059 -0.298 0.000 1.112 255 L HN 0.490 nan 8.230 nan 0.000 0.458 256 P HA 0.184 nan 4.420 nan 0.000 0.276 256 P C -1.033 176.073 177.300 -0.323 0.000 1.261 256 P CA -0.455 62.363 63.100 -0.471 0.000 0.800 256 P CB 0.890 32.157 31.700 -0.722 0.000 1.066 257 L N 0.914 122.032 121.223 -0.174 0.000 2.334 257 L HA 0.298 4.638 4.340 0.001 0.000 0.277 257 L C 0.367 177.171 176.870 -0.111 0.000 1.075 257 L CA -0.928 53.857 54.840 -0.091 0.000 0.804 257 L CB 0.688 42.764 42.059 0.029 0.000 1.174 257 L HN 0.208 nan 8.230 nan 0.000 0.438 258 L N 5.070 126.213 121.223 -0.133 0.000 2.335 258 L HA 0.439 4.779 4.340 0.001 0.000 0.268 258 L C -0.448 176.294 176.870 -0.212 0.000 1.037 258 L CA -0.041 54.626 54.840 -0.288 0.000 0.895 258 L CB 0.534 42.352 42.059 -0.401 0.000 1.266 258 L HN 0.385 nan 8.230 nan 0.000 0.439 259 L N 3.494 124.654 121.223 -0.105 0.000 2.307 259 L HA 0.518 4.859 4.340 0.001 0.000 0.282 259 L C 0.055 176.880 176.870 -0.075 0.000 1.051 259 L CA -0.361 54.454 54.840 -0.041 0.000 0.804 259 L CB 1.465 43.508 42.059 -0.026 0.000 1.197 259 L HN 0.516 nan 8.230 nan 0.000 0.431 260 Q N 2.483 122.284 119.800 0.002 0.000 2.325 260 Q HA 0.643 4.984 4.340 0.001 0.000 0.270 260 Q C -1.081 174.873 176.000 -0.077 0.000 1.020 260 Q CA -0.582 55.222 55.803 0.001 0.000 0.785 260 Q CB 2.150 31.004 28.738 0.193 0.000 1.259 260 Q HN 0.796 nan 8.270 nan 0.000 0.452 261 A N 4.870 127.581 122.820 -0.181 0.000 2.279 261 A HA 0.654 4.975 4.320 0.001 0.000 0.303 261 A C -2.427 174.852 177.584 -0.507 0.000 1.108 261 A CA -1.671 50.047 52.037 -0.531 0.000 0.830 261 A CB 0.196 19.044 19.000 -0.254 0.000 1.106 261 A HN 0.610 nan 8.150 nan 0.000 0.493 262 P HA 0.033 nan 4.420 nan 0.000 0.258 262 P C -0.762 176.431 177.300 -0.178 0.000 1.172 262 P CA 0.865 63.742 63.100 -0.371 0.000 0.762 262 P CB 0.048 31.546 31.700 -0.337 0.000 0.764 263 D N 0.306 120.647 120.400 -0.098 0.000 2.837 263 D HA -0.166 4.475 4.640 0.001 0.000 0.230 263 D C -0.038 176.244 176.300 -0.030 0.000 1.152 263 D CA 1.187 55.162 54.000 -0.042 0.000 0.736 263 D CB -0.602 40.177 40.800 -0.035 0.000 1.084 263 D HN 0.454 nan 8.370 nan 0.000 0.429 264 E N -0.089 120.090 120.200 -0.036 0.000 2.336 264 E HA 0.468 4.819 4.350 0.001 0.000 0.267 264 E C -2.188 174.411 176.600 -0.002 0.000 0.906 264 E CA -1.542 54.843 56.400 -0.025 0.000 0.781 264 E CB 2.075 31.746 29.700 -0.049 0.000 1.261 264 E HN -0.030 nan 8.360 nan 0.000 0.436 265 P HA 0.257 nan 4.420 nan 0.000 0.276 265 P C -2.460 174.768 177.300 -0.120 0.000 1.244 265 P CA -1.277 61.820 63.100 -0.004 0.000 0.801 265 P CB -0.104 31.606 31.700 0.017 0.000 1.006 266 P HA 0.196 nan 4.420 nan 0.000 0.272 266 P C -0.488 176.582 177.300 -0.385 0.000 1.230 266 P CA 0.154 62.937 63.100 -0.529 0.000 0.788 266 P CB 1.016 31.911 31.700 -1.341 0.000 0.949 267 E N 0.585 120.625 120.200 -0.266 0.000 2.199 267 E HA 0.419 4.770 4.350 0.001 0.000 0.269 267 E C -0.562 175.827 176.600 -0.352 0.000 0.899 267 E CA -0.895 55.354 56.400 -0.251 0.000 0.772 267 E CB 1.493 31.146 29.700 -0.078 0.000 1.155 267 E HN 0.369 nan 8.360 nan 0.000 0.408 268 L N 3.513 124.414 121.223 -0.537 0.000 2.326 268 L HA 0.445 4.786 4.340 0.001 0.000 0.278 268 L C -0.765 175.567 176.870 -0.896 0.000 1.092 268 L CA -0.156 54.375 54.840 -0.516 0.000 0.810 268 L CB 0.219 42.068 42.059 -0.351 0.000 1.153 268 L HN 0.435 nan 8.230 nan 0.000 0.439 269 F N 2.867 122.558 119.950 -0.433 0.000 2.588 269 F HA 0.551 5.078 4.527 0.001 0.000 0.310 269 F C -0.410 175.110 175.800 -0.466 0.000 1.082 269 F CA -0.580 57.020 58.000 -0.666 0.000 0.929 269 F CB 1.857 40.086 39.000 -1.285 0.000 1.254 269 F HN 0.145 nan 8.300 nan 0.000 0.455 270 L N 3.628 124.741 121.223 -0.184 0.000 2.325 270 L HA 0.479 4.820 4.340 0.001 0.000 0.281 270 L C -0.759 176.248 176.870 0.228 0.000 1.004 270 L CA -0.642 54.201 54.840 0.005 0.000 0.823 270 L CB 1.535 43.611 42.059 0.028 0.000 1.236 270 L HN 0.458 nan 8.230 nan 0.000 0.415 271 L N 5.410 126.769 121.223 0.227 0.000 2.477 271 L HA 0.170 4.511 4.340 0.001 0.000 0.272 271 L C -1.925 175.043 176.870 0.164 0.000 1.157 271 L CA -1.625 53.361 54.840 0.245 0.000 0.889 271 L CB 0.069 42.198 42.059 0.116 0.000 1.158 271 L HN 0.287 nan 8.230 nan 0.000 0.473 272 P HA 0.032 nan 4.420 nan 0.000 0.263 272 P C -1.976 175.369 177.300 0.075 0.000 1.195 272 P CA -0.880 62.283 63.100 0.105 0.000 0.762 272 P CB 0.327 32.074 31.700 0.077 0.000 0.799 273 P HA -0.225 nan 4.420 nan 0.000 0.217 273 P C 1.125 178.455 177.300 0.050 0.000 1.151 273 P CA 1.430 64.570 63.100 0.067 0.000 0.849 273 P CB 0.042 31.784 31.700 0.071 0.000 0.787 274 E N -0.713 119.513 120.200 0.043 0.000 2.171 274 E HA -0.156 4.195 4.350 0.001 0.000 0.197 274 E C 1.870 178.484 176.600 0.023 0.000 0.997 274 E CA 0.979 57.396 56.400 0.030 0.000 0.810 274 E CB -1.099 28.616 29.700 0.025 0.000 0.738 274 E HN 0.300 nan 8.360 nan 0.000 0.467 275 L N -0.192 121.044 121.223 0.022 0.000 2.418 275 L HA 0.038 4.378 4.340 0.001 0.000 0.218 275 L C 0.203 177.084 176.870 0.018 0.000 1.125 275 L CA 0.108 54.955 54.840 0.011 0.000 0.835 275 L CB 0.259 42.313 42.059 -0.009 0.000 0.953 275 L HN -0.090 nan 8.230 nan 0.000 0.454 276 V N 2.089 122.020 119.914 0.029 0.000 2.304 276 V HA 0.139 4.260 4.120 0.001 0.000 0.262 276 V C 0.078 176.205 176.094 0.055 0.000 1.061 276 V CA -0.504 61.817 62.300 0.035 0.000 0.872 276 V CB 1.140 32.982 31.823 0.032 0.000 1.077 276 V HN 0.041 nan 8.190 nan 0.000 0.480 277 L N 5.701 126.961 121.223 0.060 0.000 2.367 277 L HA 0.459 4.800 4.340 0.001 0.000 0.275 277 L C 0.193 177.107 176.870 0.073 0.000 1.129 277 L CA 0.772 55.643 54.840 0.052 0.000 0.839 277 L CB 0.512 42.596 42.059 0.042 0.000 1.133 277 L HN 0.667 nan 8.230 nan 0.000 0.453 278 E N 2.989 123.208 120.200 0.033 0.000 2.359 278 E HA 0.636 4.986 4.350 0.001 0.000 0.266 278 E C -1.529 175.019 176.600 -0.087 0.000 0.920 278 E CA -1.040 55.373 56.400 0.021 0.000 0.788 278 E CB 2.428 32.163 29.700 0.058 0.000 1.279 278 E HN 0.337 nan 8.360 nan 0.000 0.438 279 V N 2.775 122.605 119.914 -0.139 0.000 2.443 279 V HA 0.331 4.452 4.120 0.001 0.000 0.293 279 V C -2.340 173.681 176.094 -0.122 0.000 1.021 279 V CA -1.774 60.380 62.300 -0.243 0.000 0.848 279 V CB 1.436 32.866 31.823 -0.655 0.000 0.998 279 V HN 0.539 nan 8.190 nan 0.000 0.424 280 P HA 0.321 nan 4.420 nan 0.000 0.279 280 P C -0.925 176.377 177.300 0.003 0.000 1.239 280 P CA -0.237 62.830 63.100 -0.056 0.000 0.789 280 P CB 1.293 32.968 31.700 -0.041 0.000 0.933 281 L N 3.069 124.333 121.223 0.069 0.000 2.275 281 L HA 0.448 4.788 4.340 0.001 0.000 0.288 281 L C 1.076 178.122 176.870 0.293 0.000 1.046 281 L CA -0.292 54.661 54.840 0.188 0.000 0.805 281 L CB 0.649 42.890 42.059 0.303 0.000 1.193 281 L HN 0.515 nan 8.230 nan 0.000 0.426 282 E N 2.044 122.373 120.200 0.214 0.000 2.433 282 E HA 0.443 4.794 4.350 0.001 0.000 0.273 282 E C -1.354 175.269 176.600 0.039 0.000 0.950 282 E CA -0.941 55.598 56.400 0.231 0.000 0.796 282 E CB 2.306 32.113 29.700 0.179 0.000 1.330 282 E HN 0.466 nan 8.360 nan 0.000 0.455 283 H N 1.248 120.201 119.070 -0.196 0.000 2.469 283 H HA 0.251 4.808 4.556 0.001 0.000 0.342 283 H C -1.822 173.220 175.328 -0.476 0.000 1.115 283 H CA -2.348 53.425 56.048 -0.458 0.000 1.204 283 H CB 2.126 31.509 29.762 -0.631 0.000 1.492 283 H HN 0.437 nan 8.280 nan 0.000 0.499 284 P HA -0.139 nan 4.420 nan 0.000 0.219 284 P C 0.920 178.097 177.300 -0.204 0.000 1.146 284 P CA 1.926 64.591 63.100 -0.725 0.000 0.808 284 P CB 0.495 31.706 31.700 -0.815 0.000 0.779 285 T N -4.799 109.795 114.554 0.066 0.000 3.048 285 T HA 0.163 4.514 4.350 0.001 0.000 0.254 285 T C 0.902 175.521 174.700 -0.134 0.000 0.942 285 T CA -0.240 61.851 62.100 -0.015 0.000 0.931 285 T CB -0.707 68.156 68.868 -0.008 0.000 1.220 285 T HN -0.067 nan 8.240 nan 0.000 0.503 286 L N 2.953 123.969 121.223 -0.346 0.000 2.415 286 L HA 0.317 4.657 4.340 0.001 0.000 0.269 286 L C 1.339 177.822 176.870 -0.646 0.000 1.244 286 L CA -0.185 54.205 54.840 -0.750 0.000 1.113 286 L CB 0.043 41.296 42.059 -1.342 0.000 1.352 286 L HN 0.344 nan 8.230 nan 0.000 0.433 287 E N 2.601 122.595 120.200 -0.343 0.000 2.147 287 E HA -0.243 4.108 4.350 0.001 0.000 0.199 287 E C 1.646 178.203 176.600 -0.070 0.000 1.005 287 E CA 1.878 58.196 56.400 -0.138 0.000 0.810 287 E CB -0.047 29.642 29.700 -0.018 0.000 0.736 287 E HN 0.816 nan 8.360 nan 0.000 0.460 288 W N -0.005 121.346 121.300 0.085 0.000 2.525 288 W HA -0.050 4.611 4.660 0.001 0.000 0.259 288 W C 1.500 178.078 176.519 0.099 0.000 1.253 288 W CA -0.140 57.247 57.345 0.071 0.000 1.262 288 W CB -0.853 28.627 29.460 0.033 0.000 1.122 288 W HN -0.022 nan 8.180 nan 0.000 0.607 289 F N 2.863 122.656 119.950 -0.260 0.000 2.069 289 F HA -0.151 4.376 4.527 0.001 0.000 0.298 289 F C 2.806 178.649 175.800 0.073 0.000 1.113 289 F CA 3.153 61.097 58.000 -0.093 0.000 1.214 289 F CB -0.668 38.136 39.000 -0.326 0.000 0.978 289 F HN -0.080 nan 8.300 nan 0.000 0.474 290 A N 0.287 123.277 122.820 0.283 0.000 1.927 290 A HA -0.250 4.070 4.320 0.001 0.000 0.220 290 A C 2.288 179.948 177.584 0.128 0.000 1.185 290 A CA 2.030 54.189 52.037 0.203 0.000 0.639 290 A CB -1.630 17.455 19.000 0.142 0.000 0.820 290 A HN 0.499 nan 8.150 nan 0.000 0.451 291 A N -0.728 122.171 122.820 0.132 0.000 2.178 291 A HA 0.100 4.420 4.320 0.001 0.000 0.218 291 A C 1.908 179.539 177.584 0.079 0.000 1.157 291 A CA 1.110 53.211 52.037 0.107 0.000 0.689 291 A CB -0.571 18.507 19.000 0.131 0.000 0.787 291 A HN 0.507 nan 8.150 nan 0.000 0.465 292 L N -1.054 120.195 121.223 0.044 0.000 2.456 292 L HA 0.009 4.350 4.340 0.001 0.000 0.224 292 L C 1.771 178.662 176.870 0.035 0.000 1.148 292 L CA 0.589 55.427 54.840 -0.004 0.000 0.825 292 L CB -0.527 41.434 42.059 -0.163 0.000 0.937 292 L HN 0.582 nan 8.230 nan 0.000 0.450 293 G N 0.713 109.540 108.800 0.044 0.000 2.198 293 G HA2 -0.285 3.676 3.960 0.001 0.000 0.260 293 G HA3 -0.285 3.676 3.960 0.001 0.000 0.260 293 G C 0.136 175.054 174.900 0.030 0.000 1.025 293 G CA 0.058 45.193 45.100 0.058 0.000 0.769 293 G HN 0.268 nan 8.290 nan 0.000 0.507 294 L N -0.447 120.761 121.223 -0.025 0.000 2.399 294 L HA 0.875 5.216 4.340 0.001 0.000 0.265 294 L C 0.995 177.675 176.870 -0.318 0.000 1.089 294 L CA -0.888 53.859 54.840 -0.155 0.000 0.802 294 L CB 1.241 43.314 42.059 0.023 0.000 1.180 294 L HN 0.572 nan 8.230 nan 0.000 0.454 295 R N 0.717 120.848 120.500 -0.615 0.000 2.756 295 R HA 0.461 4.802 4.340 0.001 0.000 0.273 295 R C -2.288 173.994 176.300 -0.031 0.000 1.030 295 R CA -0.938 54.971 56.100 -0.318 0.000 0.887 295 R CB 1.710 31.762 30.300 -0.415 0.000 1.274 295 R HN 0.700 nan 8.270 nan 0.000 0.461 296 W N 1.066 122.335 121.300 -0.052 0.000 3.146 296 W HA 0.355 5.016 4.660 0.001 0.000 0.319 296 W C -1.300 175.318 176.519 0.164 0.000 1.258 296 W CA -0.875 56.534 57.345 0.107 0.000 1.189 296 W CB 1.850 31.296 29.460 -0.024 0.000 1.412 296 W HN 0.664 nan 8.180 nan 0.000 0.567 297 Y N 0.973 121.171 120.300 -0.169 0.000 2.300 297 Y HA 0.573 5.124 4.550 0.001 0.000 0.328 297 Y C 0.787 176.891 175.900 0.340 0.000 1.270 297 Y CA 0.097 58.209 58.100 0.019 0.000 1.352 297 Y CB 0.262 38.612 38.460 -0.183 0.000 1.286 297 Y HN 0.341 nan 8.280 nan 0.000 0.536 298 A N 2.023 125.088 122.820 0.409 0.000 1.970 298 A HA 0.053 4.374 4.320 0.001 0.000 0.216 298 A C 0.572 178.437 177.584 0.469 0.000 1.170 298 A CA 0.389 52.696 52.037 0.449 0.000 0.645 298 A CB -0.326 18.815 19.000 0.234 0.000 0.816 298 A HN 0.658 nan 8.150 nan 0.000 0.447 299 L N 2.150 123.618 121.223 0.407 0.000 2.255 299 L HA 0.384 4.725 4.340 0.001 0.000 0.289 299 L C -2.492 174.495 176.870 0.196 0.000 1.046 299 L CA -2.242 52.745 54.840 0.246 0.000 0.816 299 L CB 1.317 43.461 42.059 0.141 0.000 1.197 299 L HN 0.013 nan 8.230 nan 0.000 0.427 300 P HA 0.335 nan 4.420 nan 0.000 0.295 300 P C -1.464 175.734 177.300 -0.169 0.000 1.354 300 P CA -0.381 62.570 63.100 -0.249 0.000 0.814 300 P CB 1.342 32.524 31.700 -0.863 0.000 0.935 301 A N 4.552 127.283 122.820 -0.148 0.000 2.466 301 A HA 0.409 4.730 4.320 0.001 0.000 0.291 301 A C -0.245 177.131 177.584 -0.347 0.000 1.234 301 A CA -0.646 51.238 52.037 -0.255 0.000 0.752 301 A CB 0.809 19.663 19.000 -0.243 0.000 1.153 301 A HN 0.292 nan 8.150 nan 0.000 0.458 302 V N 2.863 122.436 119.914 -0.568 0.000 2.521 302 V HA 0.255 4.376 4.120 0.001 0.000 0.286 302 V C 1.201 176.883 176.094 -0.686 0.000 1.034 302 V CA 1.173 63.089 62.300 -0.640 0.000 1.045 302 V CB 0.999 32.280 31.823 -0.903 0.000 0.974 302 V HN 1.092 nan 8.190 nan 0.000 0.480 303 S N 1.613 117.117 115.700 -0.327 0.000 2.780 303 S HA 0.067 4.538 4.470 0.001 0.000 0.248 303 S C 0.783 175.356 174.600 -0.044 0.000 1.036 303 S CA -0.048 58.041 58.200 -0.185 0.000 1.061 303 S CB -0.117 63.013 63.200 -0.117 0.000 1.037 303 S HN 0.810 nan 8.310 nan 0.000 0.584 304 N N 0.974 119.662 118.700 -0.021 0.000 2.187 304 N HA 0.312 5.053 4.740 0.001 0.000 0.212 304 N C -0.012 175.566 175.510 0.113 0.000 1.152 304 N CA -0.308 52.781 53.050 0.064 0.000 0.872 304 N CB -0.212 38.326 38.487 0.087 0.000 1.025 304 N HN 0.369 nan 8.380 nan 0.000 0.514 305 M N 0.539 120.220 119.600 0.135 0.000 2.471 305 M HA 0.367 4.848 4.480 0.001 0.000 0.309 305 M C -0.425 176.034 176.300 0.265 0.000 1.186 305 M CA -0.896 54.533 55.300 0.215 0.000 1.008 305 M CB 2.105 34.865 32.600 0.267 0.000 1.551 305 M HN 0.050 nan 8.290 nan 0.000 0.477 306 L N 2.108 123.475 121.223 0.240 0.000 2.317 306 L HA 0.555 4.896 4.340 0.001 0.000 0.281 306 L C -1.467 175.537 176.870 0.223 0.000 1.024 306 L CA -1.014 53.959 54.840 0.222 0.000 0.810 306 L CB 1.315 43.457 42.059 0.140 0.000 1.240 306 L HN 0.556 nan 8.230 nan 0.000 0.427 307 L N 4.830 126.183 121.223 0.216 0.000 2.264 307 L HA 0.410 4.751 4.340 0.001 0.000 0.289 307 L C -0.443 176.477 176.870 0.084 0.000 1.044 307 L CA 0.270 55.118 54.840 0.013 0.000 0.807 307 L CB 1.201 43.224 42.059 -0.059 0.000 1.192 307 L HN 0.686 nan 8.230 nan 0.000 0.425 308 E N 6.436 126.590 120.200 -0.076 0.000 2.114 308 E HA 0.416 4.767 4.350 0.001 0.000 0.266 308 E C -1.490 175.027 176.600 -0.138 0.000 0.896 308 E CA -0.414 55.968 56.400 -0.030 0.000 0.750 308 E CB 0.845 30.556 29.700 0.019 0.000 1.121 308 E HN 0.688 nan 8.360 nan 0.000 0.413 309 I N 3.124 123.614 120.570 -0.134 0.000 2.447 309 I HA 0.294 4.464 4.170 0.001 0.000 0.287 309 I C 0.826 176.695 176.117 -0.413 0.000 1.023 309 I CA -0.742 60.309 61.300 -0.414 0.000 1.083 309 I CB 1.988 39.659 38.000 -0.548 0.000 1.245 309 I HN 0.848 nan 8.210 nan 0.000 0.434 310 G N 4.314 112.882 108.800 -0.387 0.000 2.379 310 G HA2 -0.142 3.819 3.960 0.001 0.000 0.297 310 G HA3 -0.142 3.819 3.960 0.001 0.000 0.297 310 G C 1.015 176.023 174.900 0.180 0.000 1.004 310 G CA 0.883 46.023 45.100 0.067 0.000 0.921 310 G HN 1.537 nan 8.290 nan 0.000 0.511 311 G N -2.258 106.589 108.800 0.079 0.000 2.199 311 G HA2 -0.220 3.741 3.960 0.001 0.000 0.254 311 G HA3 -0.220 3.741 3.960 0.001 0.000 0.254 311 G C 0.409 175.295 174.900 -0.022 0.000 0.982 311 G CA 0.505 45.652 45.100 0.079 0.000 0.632 311 G HN 1.279 nan 8.290 nan 0.000 0.529 312 L N 0.459 121.615 121.223 -0.112 0.000 2.343 312 L HA 0.714 5.055 4.340 0.001 0.000 0.275 312 L C 0.236 176.962 176.870 -0.241 0.000 1.056 312 L CA -0.746 53.934 54.840 -0.267 0.000 0.804 312 L CB 1.470 43.281 42.059 -0.413 0.000 1.203 312 L HN 0.148 nan 8.230 nan 0.000 0.440 313 E N 1.940 121.914 120.200 -0.376 0.000 2.210 313 E HA 0.434 4.784 4.350 0.001 0.000 0.266 313 E C -1.601 174.723 176.600 -0.459 0.000 0.883 313 E CA -0.488 55.763 56.400 -0.248 0.000 0.761 313 E CB 2.075 31.704 29.700 -0.119 0.000 1.156 313 E HN 0.255 nan 8.360 nan 0.000 0.412 314 F N 3.110 123.050 119.950 -0.018 0.000 2.359 314 F HA 0.305 4.833 4.527 0.001 0.000 0.370 314 F C -1.843 174.006 175.800 0.081 0.000 1.077 314 F CA -2.253 55.765 58.000 0.031 0.000 1.136 314 F CB 1.331 40.341 39.000 0.016 0.000 1.387 314 F HN 0.357 nan 8.300 nan 0.000 0.468 315 P HA -0.103 nan 4.420 nan 0.000 0.221 315 P C 0.018 177.443 177.300 0.208 0.000 1.145 315 P CA 0.877 64.074 63.100 0.161 0.000 0.795 315 P CB 0.411 32.178 31.700 0.111 0.000 0.775 316 A N -0.291 122.697 122.820 0.279 0.000 2.466 316 A HA 0.705 5.025 4.320 0.001 0.000 0.291 316 A C -0.363 177.475 177.584 0.424 0.000 1.234 316 A CA -0.331 51.880 52.037 0.290 0.000 0.752 316 A CB 0.496 19.616 19.000 0.199 0.000 1.153 316 A HN 0.009 nan 8.150 nan 0.000 0.458 317 A N 4.151 127.184 122.820 0.356 0.000 3.307 317 A HA 0.646 4.966 4.320 0.001 0.000 0.289 317 A C -3.045 174.729 177.584 0.316 0.000 1.138 317 A CA -1.016 51.214 52.037 0.321 0.000 0.860 317 A CB 0.467 19.622 19.000 0.257 0.000 1.318 317 A HN 0.492 nan 8.150 nan 0.000 0.551 318 P HA 0.373 nan 4.420 nan 0.000 0.268 318 P C -0.766 176.582 177.300 0.079 0.000 1.204 318 P CA 0.509 63.595 63.100 -0.022 0.000 0.768 318 P CB 0.171 31.819 31.700 -0.088 0.000 0.842 319 F N 0.076 119.991 119.950 -0.058 0.000 2.577 319 F HA 0.789 5.316 4.527 0.001 0.000 0.318 319 F C -0.337 175.374 175.800 -0.149 0.000 1.065 319 F CA -1.141 56.810 58.000 -0.081 0.000 0.929 319 F CB 1.738 40.553 39.000 -0.308 0.000 1.237 319 F HN 0.404 nan 8.300 nan 0.000 0.468 320 S N 0.311 116.069 115.700 0.096 0.000 2.579 320 S HA 0.958 5.429 4.470 0.001 0.000 0.272 320 S C -0.735 173.809 174.600 -0.093 0.000 1.141 320 S CA -0.162 58.025 58.200 -0.022 0.000 0.843 320 S CB 1.544 64.787 63.200 0.071 0.000 1.122 320 S HN 1.499 nan 8.310 nan 0.000 0.468 321 G N -0.136 108.563 108.800 -0.167 0.000 3.551 321 G HA2 0.675 4.636 3.960 0.001 0.000 0.174 321 G HA3 0.675 4.636 3.960 0.001 0.000 0.174 321 G C -1.576 173.312 174.900 -0.019 0.000 1.280 321 G CA -0.037 44.890 45.100 -0.289 0.000 1.236 321 G HN 1.250 nan 8.290 nan 0.000 0.731 322 W N -1.438 119.843 121.300 -0.031 0.000 3.042 322 W HA 0.824 5.485 4.660 0.001 0.000 0.342 322 W C -1.811 174.704 176.519 -0.007 0.000 1.240 322 W CA -2.041 55.305 57.345 0.002 0.000 1.166 322 W CB 0.426 29.934 29.460 0.080 0.000 1.469 322 W HN 0.380 nan 8.180 nan 0.000 0.579 323 Y N 2.362 122.859 120.300 0.329 0.000 2.301 323 Y HA 0.417 4.968 4.550 0.001 0.000 0.328 323 Y C 0.696 176.679 175.900 0.138 0.000 1.242 323 Y CA -1.051 57.135 58.100 0.144 0.000 1.323 323 Y CB 1.429 39.894 38.460 0.007 0.000 1.266 323 Y HN 0.428 nan 8.280 nan 0.000 0.527 324 M N 1.972 121.746 119.600 0.291 0.000 2.149 324 M HA 0.210 4.690 4.480 0.001 0.000 0.342 324 M C 0.938 177.248 176.300 0.017 0.000 1.068 324 M CA -0.331 55.061 55.300 0.153 0.000 0.991 324 M CB 1.130 33.799 32.600 0.115 0.000 1.596 324 M HN 0.852 nan 8.290 nan 0.000 0.439 325 S N 1.501 117.169 115.700 -0.053 0.000 2.409 325 S HA -0.247 4.224 4.470 0.001 0.000 0.237 325 S C 1.537 176.022 174.600 -0.192 0.000 1.060 325 S CA 2.411 60.506 58.200 -0.176 0.000 1.052 325 S CB -1.549 61.591 63.200 -0.100 0.000 0.871 325 S HN 0.932 nan 8.310 nan 0.000 0.465 326 T N 0.804 115.288 114.554 -0.116 0.000 2.759 326 T HA -0.138 4.213 4.350 0.001 0.000 0.269 326 T C 1.607 176.178 174.700 -0.215 0.000 1.042 326 T CA 1.400 63.393 62.100 -0.179 0.000 1.140 326 T CB -0.762 67.979 68.868 -0.211 0.000 0.864 326 T HN 0.645 nan 8.240 nan 0.000 0.455 327 E N 1.037 121.123 120.200 -0.190 0.000 2.097 327 E HA -0.100 4.251 4.350 0.001 0.000 0.196 327 E C 2.135 178.493 176.600 -0.404 0.000 1.000 327 E CA 1.531 57.811 56.400 -0.200 0.000 0.804 327 E CB -0.394 29.278 29.700 -0.046 0.000 0.740 327 E HN 0.602 nan 8.360 nan 0.000 0.454 328 I N 0.222 120.433 120.570 -0.599 0.000 2.385 328 I HA -0.045 4.126 4.170 0.001 0.000 0.244 328 I C 2.605 178.406 176.117 -0.527 0.000 1.089 328 I CA 0.831 61.625 61.300 -0.843 0.000 1.410 328 I CB -0.454 36.933 38.000 -1.021 0.000 1.117 328 I HN 0.102 nan 8.210 nan 0.000 0.429 329 G N 0.286 108.870 108.800 -0.360 0.000 2.418 329 G HA2 -0.179 3.781 3.960 0.001 0.000 0.217 329 G HA3 -0.179 3.781 3.960 0.001 0.000 0.217 329 G C 1.639 176.441 174.900 -0.162 0.000 1.158 329 G CA 1.565 46.541 45.100 -0.208 0.000 0.771 329 G HN 0.281 nan 8.290 nan 0.000 0.545 330 T N -0.107 114.334 114.554 -0.188 0.000 2.980 330 T HA 0.103 4.453 4.350 0.001 0.000 0.239 330 T C 2.554 177.162 174.700 -0.153 0.000 1.011 330 T CA 0.318 62.325 62.100 -0.155 0.000 1.171 330 T CB 0.081 68.845 68.868 -0.174 0.000 0.873 330 T HN 0.005 nan 8.240 nan 0.000 0.431 331 R N 2.019 122.410 120.500 -0.182 0.000 2.056 331 R HA 0.161 4.502 4.340 0.001 0.000 0.227 331 R C 2.205 178.405 176.300 -0.166 0.000 1.149 331 R CA 1.022 57.026 56.100 -0.160 0.000 0.937 331 R CB -1.233 28.984 30.300 -0.139 0.000 0.835 331 R HN 0.322 nan 8.270 nan 0.000 0.430 332 N N 1.031 119.585 118.700 -0.243 0.000 2.149 332 N HA -0.107 4.634 4.740 0.001 0.000 0.188 332 N C 1.908 177.359 175.510 -0.099 0.000 1.019 332 N CA 1.112 54.016 53.050 -0.243 0.000 0.857 332 N CB -0.152 37.879 38.487 -0.760 0.000 0.997 332 N HN 0.214 nan 8.380 nan 0.000 0.426 333 L N -0.979 120.147 121.223 -0.162 0.000 2.463 333 L HA 0.120 4.460 4.340 0.001 0.000 0.219 333 L C 1.444 178.342 176.870 0.046 0.000 1.088 333 L CA 0.252 55.085 54.840 -0.012 0.000 0.849 333 L CB 0.273 42.303 42.059 -0.048 0.000 1.012 333 L HN 0.130 nan 8.230 nan 0.000 0.468 334 C N -1.593 117.697 119.300 -0.016 0.000 3.019 334 C HA 0.167 4.628 4.460 0.001 0.000 0.295 334 C C 0.723 175.700 174.990 -0.021 0.000 1.256 334 C CA -0.826 58.192 59.018 0.000 0.000 1.706 334 C CB -0.145 27.584 27.740 -0.018 0.000 2.153 334 C HN 0.292 nan 8.230 nan 0.000 0.618 335 D N 3.018 123.370 120.400 -0.080 0.000 2.525 335 D HA 0.035 4.675 4.640 0.001 0.000 0.235 335 D C -1.121 175.135 176.300 -0.072 0.000 1.137 335 D CA -1.148 52.774 54.000 -0.130 0.000 0.868 335 D CB 0.657 41.213 40.800 -0.407 0.000 1.180 335 D HN 0.228 nan 8.370 nan 0.000 0.465 336 P HA -0.149 nan 4.420 nan 0.000 0.222 336 P C 0.567 177.944 177.300 0.129 0.000 1.147 336 P CA 1.175 64.344 63.100 0.114 0.000 0.790 336 P CB 0.035 31.820 31.700 0.142 0.000 0.780 337 H N -2.322 116.763 119.070 0.024 0.000 2.519 337 H HA 0.373 4.930 4.556 0.001 0.000 0.289 337 H C 0.931 176.269 175.328 0.018 0.000 1.040 337 H CA -0.374 55.685 56.048 0.019 0.000 1.165 337 H CB -0.024 29.749 29.762 0.020 0.000 1.462 337 H HN -0.043 nan 8.280 nan 0.000 0.555 338 R N -0.110 120.266 120.500 -0.208 0.000 2.769 338 R HA 0.191 4.532 4.340 0.001 0.000 0.117 338 R C 1.015 177.274 176.300 -0.070 0.000 1.152 338 R CA -0.632 55.387 56.100 -0.135 0.000 0.887 338 R CB -0.864 29.368 30.300 -0.113 0.000 1.099 338 R HN 0.111 nan 8.270 nan 0.000 0.398 339 Y N 1.541 121.864 120.300 0.038 0.000 2.509 339 Y HA -0.061 4.490 4.550 0.001 0.000 0.293 339 Y C 0.630 176.565 175.900 0.057 0.000 1.133 339 Y CA 0.900 59.047 58.100 0.078 0.000 1.283 339 Y CB -0.288 38.261 38.460 0.148 0.000 1.001 339 Y HN 0.482 nan 8.280 nan 0.000 0.555 340 N N 0.773 119.565 118.700 0.152 0.000 2.699 340 N HA -0.234 4.507 4.740 0.001 0.000 0.256 340 N C 0.395 175.987 175.510 0.136 0.000 0.993 340 N CA 0.839 53.957 53.050 0.113 0.000 0.759 340 N CB -1.282 37.255 38.487 0.084 0.000 0.906 340 N HN 0.660 nan 8.380 nan 0.000 0.541 341 I N -3.557 117.105 120.570 0.154 0.000 3.883 341 I HA 0.113 4.284 4.170 0.001 0.000 0.326 341 I C 1.708 177.914 176.117 0.149 0.000 1.283 341 I CA -0.368 61.018 61.300 0.144 0.000 1.161 341 I CB -0.093 37.994 38.000 0.145 0.000 1.012 341 I HN 0.144 nan 8.210 nan 0.000 0.421 342 L N 1.912 123.229 121.223 0.157 0.000 1.997 342 L HA -0.261 4.080 4.340 0.001 0.000 0.216 342 L C 2.536 179.577 176.870 0.285 0.000 1.074 342 L CA 2.286 57.244 54.840 0.197 0.000 0.763 342 L CB -0.729 41.419 42.059 0.148 0.000 0.890 342 L HN 0.466 nan 8.230 nan 0.000 0.434 343 E N -0.942 119.429 120.200 0.285 0.000 2.031 343 E HA -0.245 4.106 4.350 0.001 0.000 0.193 343 E C 1.862 178.515 176.600 0.089 0.000 0.994 343 E CA 1.547 58.095 56.400 0.247 0.000 0.800 343 E CB -0.117 29.676 29.700 0.156 0.000 0.752 343 E HN 0.582 nan 8.360 nan 0.000 0.447 344 D N 0.053 120.490 120.400 0.062 0.000 2.133 344 D HA -0.175 4.466 4.640 0.001 0.000 0.195 344 D C 2.094 178.383 176.300 -0.019 0.000 0.997 344 D CA 1.300 55.297 54.000 -0.005 0.000 0.840 344 D CB -0.116 40.686 40.800 0.004 0.000 0.947 344 D HN 0.146 nan 8.370 nan 0.000 0.452 345 V N 1.742 121.708 119.914 0.087 0.000 2.343 345 V HA -0.253 3.868 4.120 0.001 0.000 0.247 345 V C 2.623 178.810 176.094 0.156 0.000 1.051 345 V CA 1.821 64.230 62.300 0.181 0.000 1.036 345 V CB -0.712 31.303 31.823 0.321 0.000 0.654 345 V HN 0.189 nan 8.190 nan 0.000 0.451 346 A N -0.363 122.553 122.820 0.161 0.000 1.902 346 A HA -0.152 4.169 4.320 0.001 0.000 0.217 346 A C 2.396 179.964 177.584 -0.027 0.000 1.181 346 A CA 1.973 54.097 52.037 0.145 0.000 0.623 346 A CB -0.673 18.483 19.000 0.261 0.000 0.818 346 A HN 0.327 nan 8.150 nan 0.000 0.443 347 V N -0.687 119.156 119.914 -0.118 0.000 2.332 347 V HA -0.339 3.782 4.120 0.001 0.000 0.248 347 V C 2.630 178.573 176.094 -0.251 0.000 1.055 347 V CA 2.137 64.326 62.300 -0.186 0.000 1.038 347 V CB -1.032 30.678 31.823 -0.187 0.000 0.651 347 V HN 0.719 nan 8.190 nan 0.000 0.450 348 C N -0.636 118.426 119.300 -0.396 0.000 2.435 348 C HA -0.095 4.366 4.460 0.001 0.000 0.279 348 C C 2.529 177.171 174.990 -0.578 0.000 1.321 348 C CA 0.752 59.274 59.018 -0.826 0.000 1.752 348 C CB -1.018 25.723 27.740 -1.666 0.000 1.959 348 C HN 0.518 nan 8.230 nan 0.000 0.500 349 M N 0.702 120.227 119.600 -0.125 0.000 2.628 349 M HA 0.006 4.487 4.480 0.001 0.000 0.232 349 M C -0.067 176.265 176.300 0.053 0.000 1.128 349 M CA 0.749 56.153 55.300 0.173 0.000 1.040 349 M CB -0.440 32.316 32.600 0.260 0.000 1.608 349 M HN 0.293 nan 8.290 nan 0.000 0.507 350 D N 1.802 122.167 120.400 -0.059 0.000 2.692 350 D HA -0.182 4.459 4.640 0.001 0.000 0.233 350 D C -0.496 175.789 176.300 -0.025 0.000 1.172 350 D CA 0.876 54.840 54.000 -0.060 0.000 0.636 350 D CB -1.375 39.401 40.800 -0.040 0.000 1.028 350 D HN 0.386 nan 8.370 nan 0.000 0.419 351 L N -0.080 121.130 121.223 -0.022 0.000 2.416 351 L HA 0.333 4.674 4.340 0.001 0.000 0.262 351 L C 0.949 177.772 176.870 -0.078 0.000 1.093 351 L CA -0.758 54.085 54.840 0.006 0.000 0.801 351 L CB 0.767 42.882 42.059 0.093 0.000 1.191 351 L HN -0.187 nan 8.230 nan 0.000 0.459 352 D N -0.197 120.170 120.400 -0.055 0.000 2.411 352 D HA 0.074 4.715 4.640 0.001 0.000 0.225 352 D C 0.712 176.840 176.300 -0.287 0.000 1.156 352 D CA -0.325 53.601 54.000 -0.123 0.000 0.874 352 D CB 0.920 41.698 40.800 -0.036 0.000 1.034 352 D HN 0.545 nan 8.370 nan 0.000 0.502 353 T N 0.919 115.137 114.554 -0.561 0.000 3.235 353 T HA 0.151 4.502 4.350 0.001 0.000 0.251 353 T C 1.325 175.728 174.700 -0.495 0.000 1.060 353 T CA -0.155 61.270 62.100 -1.126 0.000 0.949 353 T CB -0.056 67.979 68.868 -1.388 0.000 1.020 353 T HN 0.276 nan 8.240 nan 0.000 0.564 354 R N 0.516 120.886 120.500 -0.217 0.000 2.127 354 R HA 0.131 4.471 4.340 0.001 0.000 0.217 354 R C 1.001 177.322 176.300 0.035 0.000 1.074 354 R CA 0.719 56.774 56.100 -0.075 0.000 0.991 354 R CB 0.050 30.316 30.300 -0.056 0.000 0.895 354 R HN 0.371 nan 8.270 nan 0.000 0.450 355 T N -0.280 114.330 114.554 0.093 0.000 2.824 355 T HA 0.114 4.465 4.350 0.001 0.000 0.282 355 T C 1.165 176.047 174.700 0.303 0.000 0.993 355 T CA -0.609 61.587 62.100 0.158 0.000 0.967 355 T CB 1.813 70.742 68.868 0.102 0.000 0.960 355 T HN 0.251 nan 8.240 nan 0.000 0.441 356 T N 1.346 116.050 114.554 0.250 0.000 2.867 356 T HA -0.111 4.240 4.350 0.001 0.000 0.268 356 T C 2.142 176.896 174.700 0.091 0.000 1.057 356 T CA 1.565 63.773 62.100 0.181 0.000 1.136 356 T CB -0.644 68.268 68.868 0.074 0.000 0.874 356 T HN 0.689 nan 8.240 nan 0.000 0.466 357 S N 2.141 117.896 115.700 0.092 0.000 2.500 357 S HA -0.089 4.381 4.470 0.001 0.000 0.239 357 S C 2.128 176.773 174.600 0.074 0.000 0.989 357 S CA 0.928 59.164 58.200 0.059 0.000 0.951 357 S CB -0.952 62.278 63.200 0.050 0.000 0.759 357 S HN 0.779 nan 8.310 nan 0.000 0.523 358 S N 1.703 117.483 115.700 0.134 0.000 2.522 358 S HA 0.226 4.697 4.470 0.001 0.000 0.227 358 S C 0.968 175.641 174.600 0.122 0.000 0.986 358 S CA 0.319 58.603 58.200 0.140 0.000 0.929 358 S CB -0.976 62.342 63.200 0.196 0.000 0.769 358 S HN 0.650 nan 8.310 nan 0.000 0.529 359 L N 0.719 121.981 121.223 0.065 0.000 3.717 359 L HA -0.171 4.170 4.340 0.001 0.000 0.411 359 L C 1.636 178.502 176.870 -0.006 0.000 1.233 359 L CA 0.646 55.463 54.840 -0.039 0.000 0.917 359 L CB -2.545 39.505 42.059 -0.014 0.000 1.902 359 L HN 0.729 nan 8.230 nan 0.000 0.894 360 W N 0.010 121.323 121.300 0.022 0.000 2.342 360 W HA -0.174 4.486 4.660 0.000 0.000 0.297 360 W C 1.738 178.277 176.519 0.034 0.000 1.213 360 W CA 1.361 58.723 57.345 0.028 0.000 1.251 360 W CB -0.736 28.738 29.460 0.023 0.000 1.136 360 W HN 0.298 nan 8.180 nan 0.000 0.526 361 K N 1.144 121.147 120.400 -0.661 0.000 2.002 361 K HA -0.180 4.141 4.320 0.001 0.000 0.209 361 K C 1.565 178.038 176.600 -0.212 0.000 1.048 361 K CA 2.466 58.388 56.287 -0.609 0.000 0.930 361 K CB -0.446 31.525 32.500 -0.881 0.000 0.714 361 K HN 0.029 nan 8.250 nan 0.000 0.438 362 D N 0.605 120.897 120.400 -0.179 0.000 2.123 362 D HA -0.143 4.497 4.640 0.001 0.000 0.196 362 D C 1.691 177.984 176.300 -0.011 0.000 0.992 362 D CA 1.271 55.221 54.000 -0.085 0.000 0.833 362 D CB 0.018 40.775 40.800 -0.072 0.000 0.954 362 D HN 0.136 nan 8.370 nan 0.000 0.455 363 K N 0.444 120.862 120.400 0.030 0.000 2.002 363 K HA -0.077 4.244 4.320 0.001 0.000 0.209 363 K C 2.252 178.919 176.600 0.111 0.000 1.048 363 K CA 1.267 57.603 56.287 0.082 0.000 0.930 363 K CB -0.237 32.336 32.500 0.121 0.000 0.714 363 K HN 0.098 nan 8.250 nan 0.000 0.438 364 A N 1.410 124.320 122.820 0.151 0.000 1.908 364 A HA -0.164 4.156 4.320 0.001 0.000 0.218 364 A C 2.357 180.030 177.584 0.148 0.000 1.181 364 A CA 2.008 54.162 52.037 0.195 0.000 0.627 364 A CB -0.802 18.355 19.000 0.261 0.000 0.818 364 A HN 0.378 nan 8.150 nan 0.000 0.445 365 A N -0.561 122.306 122.820 0.078 0.000 1.877 365 A HA -0.038 4.282 4.320 0.001 0.000 0.216 365 A C 2.233 179.837 177.584 0.035 0.000 1.186 365 A CA 1.875 53.934 52.037 0.038 0.000 0.620 365 A CB -1.057 17.928 19.000 -0.025 0.000 0.822 365 A HN 0.434 nan 8.150 nan 0.000 0.443 366 V N 0.311 120.246 119.914 0.036 0.000 2.332 366 V HA -0.224 3.896 4.120 0.001 0.000 0.248 366 V C 2.552 178.681 176.094 0.058 0.000 1.055 366 V CA 2.208 64.534 62.300 0.043 0.000 1.038 366 V CB -0.720 31.133 31.823 0.050 0.000 0.651 366 V HN 0.503 nan 8.190 nan 0.000 0.450 367 E N -0.173 120.084 120.200 0.094 0.000 2.152 367 E HA -0.065 4.286 4.350 0.001 0.000 0.192 367 E C 2.101 178.744 176.600 0.071 0.000 0.983 367 E CA 0.997 57.475 56.400 0.130 0.000 0.818 367 E CB -0.226 29.565 29.700 0.153 0.000 0.758 367 E HN 0.594 nan 8.360 nan 0.000 0.467 368 I N 1.286 121.916 120.570 0.100 0.000 2.315 368 I HA -0.215 3.955 4.170 0.001 0.000 0.248 368 I C 2.026 178.129 176.117 -0.022 0.000 1.117 368 I CA 0.707 62.065 61.300 0.096 0.000 1.404 368 I CB -0.266 37.846 38.000 0.186 0.000 1.071 368 I HN 0.064 nan 8.210 nan 0.000 0.419 369 N N 0.548 119.233 118.700 -0.025 0.000 2.270 369 N HA -0.096 4.644 4.740 0.001 0.000 0.181 369 N C 1.975 177.445 175.510 -0.068 0.000 1.016 369 N CA 1.083 54.103 53.050 -0.050 0.000 0.870 369 N CB 0.168 38.645 38.487 -0.017 0.000 0.979 369 N HN 0.173 nan 8.380 nan 0.000 0.431 370 V N 1.795 121.657 119.914 -0.087 0.000 2.307 370 V HA -0.179 3.942 4.120 0.001 0.000 0.245 370 V C 2.538 178.480 176.094 -0.253 0.000 1.045 370 V CA 1.750 63.954 62.300 -0.160 0.000 1.024 370 V CB -0.863 30.837 31.823 -0.206 0.000 0.651 370 V HN 0.242 nan 8.190 nan 0.000 0.449 371 A N 0.002 122.603 122.820 -0.365 0.000 1.883 371 A HA -0.187 4.134 4.320 0.001 0.000 0.217 371 A C 2.407 179.909 177.584 -0.137 0.000 1.186 371 A CA 2.273 54.058 52.037 -0.419 0.000 0.624 371 A CB -0.790 17.684 19.000 -0.875 0.000 0.822 371 A HN 0.336 nan 8.150 nan 0.000 0.444 372 V N -0.056 119.800 119.914 -0.097 0.000 2.287 372 V HA -0.275 3.846 4.120 0.001 0.000 0.248 372 V C 2.581 178.680 176.094 0.008 0.000 1.053 372 V CA 2.043 64.329 62.300 -0.023 0.000 1.027 372 V CB -0.783 30.950 31.823 -0.151 0.000 0.646 372 V HN 0.565 nan 8.190 nan 0.000 0.447 373 L N -0.664 120.532 121.223 -0.044 0.000 2.017 373 L HA -0.208 4.133 4.340 0.001 0.000 0.208 373 L C 2.627 179.518 176.870 0.035 0.000 1.073 373 L CA 2.132 56.963 54.840 -0.014 0.000 0.745 373 L CB -0.792 41.252 42.059 -0.026 0.000 0.894 373 L HN 0.484 nan 8.230 nan 0.000 0.432 374 H N -0.227 118.784 119.070 -0.097 0.000 2.267 374 H HA -0.176 4.381 4.556 0.001 0.000 0.297 374 H C 2.369 177.672 175.328 -0.042 0.000 1.080 374 H CA 2.154 58.137 56.048 -0.109 0.000 1.278 374 H CB -0.211 29.418 29.762 -0.221 0.000 1.365 374 H HN 0.128 nan 8.280 nan 0.000 0.489 375 S N -0.492 115.123 115.700 -0.141 0.000 2.365 375 S HA -0.201 4.269 4.470 0.001 0.000 0.225 375 S C 2.001 176.550 174.600 -0.086 0.000 1.039 375 S CA 1.545 59.654 58.200 -0.152 0.000 1.033 375 S CB -0.597 62.620 63.200 0.028 0.000 0.887 375 S HN 0.466 nan 8.310 nan 0.000 0.447 376 Y N 1.991 122.226 120.300 -0.109 0.000 2.242 376 Y HA -0.086 4.465 4.550 0.001 0.000 0.291 376 Y C 2.662 178.509 175.900 -0.088 0.000 1.137 376 Y CA 0.915 58.976 58.100 -0.064 0.000 1.181 376 Y CB -0.505 37.943 38.460 -0.021 0.000 0.989 376 Y HN 0.337 nan 8.280 nan 0.000 0.527 377 Q N -0.863 118.954 119.800 0.028 0.000 2.079 377 Q HA -0.172 4.169 4.340 0.001 0.000 0.200 377 Q C 2.220 178.159 176.000 -0.103 0.000 0.974 377 Q CA 1.354 57.136 55.803 -0.035 0.000 0.840 377 Q CB -0.427 28.289 28.738 -0.036 0.000 0.898 377 Q HN 0.398 nan 8.270 nan 0.000 0.430 378 L N 0.725 121.829 121.223 -0.197 0.000 2.042 378 L HA -0.108 4.232 4.340 0.001 0.000 0.210 378 L C 1.944 178.723 176.870 -0.150 0.000 1.076 378 L CA 2.098 56.807 54.840 -0.219 0.000 0.749 378 L CB -0.567 41.270 42.059 -0.370 0.000 0.893 378 L HN 0.106 nan 8.230 nan 0.000 0.432 379 A N -1.378 121.348 122.820 -0.157 0.000 2.238 379 A HA 0.044 4.365 4.320 0.001 0.000 0.208 379 A C 0.797 178.317 177.584 -0.107 0.000 1.177 379 A CA 0.196 52.149 52.037 -0.140 0.000 0.804 379 A CB -0.372 18.512 19.000 -0.194 0.000 0.823 379 A HN 0.451 nan 8.150 nan 0.000 0.482 380 K N -1.252 119.095 120.400 -0.088 0.000 3.117 380 K HA -0.126 4.194 4.320 0.001 0.000 0.269 380 K C -0.534 176.035 176.600 -0.051 0.000 1.098 380 K CA 0.799 57.048 56.287 -0.063 0.000 0.785 380 K CB -2.727 29.738 32.500 -0.059 0.000 1.242 380 K HN 0.303 nan 8.250 nan 0.000 0.491 381 V N 1.460 121.351 119.914 -0.037 0.000 2.398 381 V HA 0.165 4.285 4.120 0.001 0.000 0.286 381 V C 0.925 177.085 176.094 0.109 0.000 1.026 381 V CA -0.602 61.709 62.300 0.018 0.000 0.868 381 V CB 1.879 33.677 31.823 -0.041 0.000 0.982 381 V HN 0.268 nan 8.190 nan 0.000 0.443 382 T N 6.330 120.909 114.554 0.042 0.000 2.939 382 T HA 0.346 4.697 4.350 0.001 0.000 0.312 382 T C -0.208 174.551 174.700 0.098 0.000 1.064 382 T CA 0.902 62.964 62.100 -0.063 0.000 1.136 382 T CB 0.071 68.768 68.868 -0.284 0.000 1.035 382 T HN 0.592 nan 8.240 nan 0.000 0.538 383 I N 1.804 122.376 120.570 0.003 0.000 2.763 383 I HA 0.475 4.646 4.170 0.001 0.000 0.292 383 I C -1.717 174.426 176.117 0.045 0.000 1.610 383 I CA -0.832 60.520 61.300 0.086 0.000 1.002 383 I CB 1.661 39.668 38.000 0.011 0.000 1.416 383 I HN 0.479 nan 8.210 nan 0.000 0.479 384 V N 5.545 125.534 119.914 0.125 0.000 2.709 384 V HA 0.493 4.614 4.120 0.001 0.000 0.308 384 V C -1.073 175.072 176.094 0.085 0.000 1.062 384 V CA -0.253 62.116 62.300 0.114 0.000 0.901 384 V CB 2.245 34.201 31.823 0.221 0.000 1.003 384 V HN 0.862 nan 8.190 nan 0.000 0.425 385 D N 4.052 124.479 120.400 0.044 0.000 2.358 385 D HA 0.172 4.812 4.640 0.001 0.000 0.244 385 D C 1.343 177.640 176.300 -0.005 0.000 1.163 385 D CA 0.256 54.265 54.000 0.014 0.000 0.945 385 D CB 0.435 41.209 40.800 -0.043 0.000 1.152 385 D HN 0.735 nan 8.370 nan 0.000 0.451 386 H N -0.152 118.870 119.070 -0.080 0.000 2.457 386 H HA -0.164 4.392 4.556 0.001 0.000 0.297 386 H C 1.023 176.242 175.328 -0.182 0.000 1.092 386 H CA 1.434 57.382 56.048 -0.166 0.000 1.309 386 H CB -0.601 28.999 29.762 -0.271 0.000 1.382 386 H HN 0.522 nan 8.280 nan 0.000 0.535 387 H N 1.301 120.217 119.070 -0.256 0.000 2.284 387 H HA 0.119 4.675 4.556 0.001 0.000 0.304 387 H C 2.621 177.940 175.328 -0.016 0.000 1.069 387 H CA 1.303 57.280 56.048 -0.117 0.000 1.327 387 H CB -0.444 29.204 29.762 -0.189 0.000 1.387 387 H HN 0.482 nan 8.280 nan 0.000 0.498 388 A N 1.490 124.374 122.820 0.106 0.000 1.948 388 A HA -0.163 4.158 4.320 0.001 0.000 0.220 388 A C 2.676 180.334 177.584 0.122 0.000 1.177 388 A CA 2.029 54.125 52.037 0.098 0.000 0.636 388 A CB -0.850 18.195 19.000 0.076 0.000 0.815 388 A HN 0.466 nan 8.150 nan 0.000 0.449 389 A N -0.458 122.433 122.820 0.119 0.000 1.898 389 A HA -0.057 4.263 4.320 0.001 0.000 0.216 389 A C 2.444 180.126 177.584 0.164 0.000 1.181 389 A CA 2.414 54.540 52.037 0.149 0.000 0.620 389 A CB -1.312 17.765 19.000 0.129 0.000 0.819 389 A HN 0.750 nan 8.150 nan 0.000 0.442 390 T N -2.022 112.609 114.554 0.129 0.000 2.857 390 T HA 0.112 4.463 4.350 0.001 0.000 0.266 390 T C 1.983 176.814 174.700 0.218 0.000 1.048 390 T CA 1.489 63.685 62.100 0.160 0.000 1.139 390 T CB -0.593 68.336 68.868 0.102 0.000 0.874 390 T HN 0.524 nan 8.240 nan 0.000 0.455 391 A N 2.472 125.397 122.820 0.175 0.000 1.883 391 A HA -0.075 4.246 4.320 0.001 0.000 0.217 391 A C 2.784 180.467 177.584 0.165 0.000 1.186 391 A CA 2.540 54.673 52.037 0.159 0.000 0.624 391 A CB -1.291 17.785 19.000 0.127 0.000 0.822 391 A HN 0.750 nan 8.150 nan 0.000 0.444 392 S N -1.419 114.388 115.700 0.178 0.000 2.399 392 S HA -0.172 4.298 4.470 0.001 0.000 0.231 392 S C 1.837 176.566 174.600 0.214 0.000 1.022 392 S CA 1.438 59.745 58.200 0.177 0.000 0.983 392 S CB -0.709 62.602 63.200 0.186 0.000 0.803 392 S HN 0.534 nan 8.310 nan 0.000 0.480 393 F N 1.646 121.667 119.950 0.119 0.000 2.234 393 F HA 0.082 4.610 4.527 0.001 0.000 0.299 393 F C 2.258 178.150 175.800 0.153 0.000 1.087 393 F CA 1.129 59.214 58.000 0.141 0.000 1.340 393 F CB -0.174 38.886 39.000 0.101 0.000 1.031 393 F HN 0.122 nan 8.300 nan 0.000 0.500 394 M N 0.174 119.866 119.600 0.153 0.000 2.159 394 M HA -0.170 4.311 4.480 0.001 0.000 0.263 394 M C 2.166 178.451 176.300 -0.026 0.000 1.063 394 M CA 1.439 56.774 55.300 0.059 0.000 1.110 394 M CB -1.190 31.483 32.600 0.120 0.000 1.374 394 M HN 0.050 nan 8.290 nan 0.000 0.411 395 K N -0.170 120.243 120.400 0.022 0.000 2.057 395 K HA -0.205 4.116 4.320 0.001 0.000 0.207 395 K C 1.988 178.571 176.600 -0.029 0.000 1.049 395 K CA 1.804 58.099 56.287 0.013 0.000 0.931 395 K CB -0.706 31.827 32.500 0.055 0.000 0.714 395 K HN 0.378 nan 8.250 nan 0.000 0.440 396 H N 0.119 119.094 119.070 -0.159 0.000 2.319 396 H HA -0.034 4.523 4.556 0.001 0.000 0.299 396 H C 1.762 176.914 175.328 -0.294 0.000 1.092 396 H CA 2.309 58.225 56.048 -0.221 0.000 1.302 396 H CB -0.280 29.292 29.762 -0.317 0.000 1.373 396 H HN 0.178 nan 8.280 nan 0.000 0.497 397 L N 0.098 121.012 121.223 -0.514 0.000 2.042 397 L HA -0.196 4.144 4.340 0.001 0.000 0.210 397 L C 2.676 179.385 176.870 -0.268 0.000 1.076 397 L CA 1.933 56.511 54.840 -0.436 0.000 0.749 397 L CB -0.509 41.373 42.059 -0.296 0.000 0.893 397 L HN 0.494 nan 8.230 nan 0.000 0.432 398 E N 0.263 120.354 120.200 -0.181 0.000 2.031 398 E HA -0.233 4.118 4.350 0.001 0.000 0.193 398 E C 1.956 178.489 176.600 -0.113 0.000 0.994 398 E CA 1.427 57.762 56.400 -0.107 0.000 0.800 398 E CB 0.101 29.764 29.700 -0.061 0.000 0.752 398 E HN 0.472 nan 8.360 nan 0.000 0.447 399 N N 0.855 119.480 118.700 -0.126 0.000 2.069 399 N HA -0.167 4.573 4.740 0.001 0.000 0.191 399 N C 1.639 177.075 175.510 -0.125 0.000 1.031 399 N CA 1.060 54.056 53.050 -0.090 0.000 0.852 399 N CB -0.349 38.115 38.487 -0.039 0.000 1.018 399 N HN 0.222 nan 8.380 nan 0.000 0.423 400 E N 0.802 120.845 120.200 -0.261 0.000 2.204 400 E HA -0.160 4.191 4.350 0.001 0.000 0.195 400 E C 1.881 178.396 176.600 -0.142 0.000 0.990 400 E CA 0.609 56.855 56.400 -0.257 0.000 0.821 400 E CB -0.056 29.371 29.700 -0.456 0.000 0.750 400 E HN 0.367 nan 8.360 nan 0.000 0.477 401 Q N 1.256 120.985 119.800 -0.119 0.000 2.049 401 Q HA -0.078 4.263 4.340 0.001 0.000 0.198 401 Q C 1.763 177.739 176.000 -0.040 0.000 0.971 401 Q CA 1.594 57.361 55.803 -0.060 0.000 0.833 401 Q CB 0.068 28.776 28.738 -0.050 0.000 0.896 401 Q HN 0.121 nan 8.270 nan 0.000 0.434 402 K N -0.503 119.871 120.400 -0.043 0.000 2.097 402 K HA -0.011 4.310 4.320 0.001 0.000 0.205 402 K C 2.016 178.605 176.600 -0.019 0.000 1.050 402 K CA 1.026 57.297 56.287 -0.026 0.000 0.938 402 K CB -0.181 32.306 32.500 -0.022 0.000 0.718 402 K HN 0.234 nan 8.250 nan 0.000 0.442 403 A N 1.523 124.330 122.820 -0.022 0.000 1.840 403 A HA -0.077 4.243 4.320 0.001 0.000 0.214 403 A C 1.827 179.407 177.584 -0.007 0.000 1.198 403 A CA 1.235 53.270 52.037 -0.004 0.000 0.608 403 A CB -0.098 18.909 19.000 0.011 0.000 0.839 403 A HN 0.171 nan 8.150 nan 0.000 0.443 404 R N -2.203 118.283 120.500 -0.023 0.000 2.509 404 R HA 0.297 4.638 4.340 0.001 0.000 0.297 404 R C 0.669 176.976 176.300 0.011 0.000 0.951 404 R CA 0.464 56.560 56.100 -0.007 0.000 1.103 404 R CB 0.682 30.972 30.300 -0.018 0.000 1.283 404 R HN 0.730 nan 8.270 nan 0.000 0.534 405 G N 0.914 109.715 108.800 0.001 0.000 2.212 405 G HA2 -0.139 3.821 3.960 0.001 0.000 0.255 405 G HA3 -0.139 3.821 3.960 0.001 0.000 0.255 405 G C 0.193 175.124 174.900 0.052 0.000 1.062 405 G CA 0.031 45.143 45.100 0.020 0.000 0.815 405 G HN 0.720 nan 8.290 nan 0.000 0.497 406 G N -2.387 106.435 108.800 0.037 0.000 2.369 406 G HA2 0.559 4.520 3.960 0.001 0.000 0.293 406 G HA3 0.559 4.520 3.960 0.001 0.000 0.293 406 G C -0.624 174.313 174.900 0.062 0.000 1.301 406 G CA 0.593 45.745 45.100 0.087 0.000 0.913 406 G HN 2.191 nan 8.290 nan 0.000 0.540 407 C N 1.725 121.101 119.300 0.127 0.000 3.008 407 C HA 0.628 5.089 4.460 0.001 0.000 0.405 407 C C -2.627 172.332 174.990 -0.052 0.000 1.046 407 C CA -0.826 58.194 59.018 0.003 0.000 1.249 407 C CB 1.100 28.774 27.740 -0.110 0.000 1.656 407 C HN 0.798 nan 8.230 nan 0.000 0.517 408 P HA 0.385 nan 4.420 nan 0.000 0.264 408 P C -0.551 176.625 177.300 -0.206 0.000 1.193 408 P CA 0.713 63.340 63.100 -0.789 0.000 0.763 408 P CB 0.996 31.997 31.700 -1.166 0.000 0.810 409 A N 2.583 125.371 122.820 -0.054 0.000 2.488 409 A HA 0.393 4.714 4.320 0.001 0.000 0.298 409 A C -1.050 176.600 177.584 0.110 0.000 1.044 409 A CA -0.562 51.537 52.037 0.103 0.000 0.693 409 A CB 1.333 20.498 19.000 0.274 0.000 1.272 409 A HN 0.462 nan 8.150 nan 0.000 0.402 410 D N 2.013 122.469 120.400 0.093 0.000 2.485 410 D HA 0.129 4.770 4.640 0.001 0.000 0.229 410 D C 0.826 177.265 176.300 0.231 0.000 1.101 410 D CA -0.464 53.631 54.000 0.159 0.000 0.906 410 D CB 0.324 41.172 40.800 0.079 0.000 1.019 410 D HN 0.615 nan 8.370 nan 0.000 0.516 411 W N 4.147 125.500 121.300 0.088 0.000 2.290 411 W HA -0.371 4.290 4.660 0.001 0.000 0.318 411 W C 1.983 178.527 176.519 0.042 0.000 1.248 411 W CA 2.704 60.076 57.345 0.045 0.000 1.263 411 W CB -0.056 29.407 29.460 0.006 0.000 1.147 411 W HN 0.544 nan 8.180 nan 0.000 0.494 412 A N -1.508 121.546 122.820 0.389 0.000 2.024 412 A HA -0.191 4.129 4.320 0.001 0.000 0.220 412 A C 1.434 178.971 177.584 -0.078 0.000 1.164 412 A CA 1.679 53.834 52.037 0.196 0.000 0.643 412 A CB -1.230 17.922 19.000 0.254 0.000 0.806 412 A HN 0.542 nan 8.150 nan 0.000 0.451 413 W N -1.153 120.088 121.300 -0.100 0.000 2.872 413 W HA 0.236 4.897 4.660 0.001 0.000 0.266 413 W C 1.746 178.130 176.519 -0.224 0.000 1.276 413 W CA -0.287 56.980 57.345 -0.129 0.000 1.471 413 W CB -0.057 29.358 29.460 -0.076 0.000 1.071 413 W HN 0.112 nan 8.180 nan 0.000 0.619 414 I N 0.008 120.509 120.570 -0.116 0.000 2.286 414 I HA -0.067 4.104 4.170 0.001 0.000 0.245 414 I C 0.762 176.663 176.117 -0.361 0.000 1.104 414 I CA 0.737 61.841 61.300 -0.327 0.000 1.397 414 I CB -1.511 36.214 38.000 -0.458 0.000 1.072 414 I HN -0.397 nan 8.210 nan 0.000 0.417 415 V N 4.817 124.434 119.914 -0.495 0.000 2.521 415 V HA 0.084 4.205 4.120 0.001 0.000 0.286 415 V C -1.744 174.166 176.094 -0.306 0.000 1.034 415 V CA -1.027 60.986 62.300 -0.477 0.000 1.045 415 V CB 0.150 31.481 31.823 -0.820 0.000 0.974 415 V HN 0.191 nan 8.190 nan 0.000 0.480 416 P HA 0.188 nan 4.420 nan 0.000 0.272 416 P C -2.040 175.123 177.300 -0.228 0.000 1.223 416 P CA -1.602 61.368 63.100 -0.217 0.000 0.784 416 P CB 0.403 31.975 31.700 -0.213 0.000 0.923 417 P HA -0.029 nan 4.420 nan 0.000 0.229 417 P C 0.407 177.588 177.300 -0.198 0.000 1.150 417 P CA 1.131 64.109 63.100 -0.203 0.000 0.765 417 P CB -0.102 31.480 31.700 -0.196 0.000 0.783 418 I N -7.467 112.946 120.570 -0.262 0.000 2.827 418 I HA 0.436 4.606 4.170 0.001 0.000 0.298 418 I C -0.199 175.764 176.117 -0.256 0.000 1.235 418 I CA -1.150 60.004 61.300 -0.243 0.000 1.021 418 I CB 2.000 39.843 38.000 -0.261 0.000 1.259 418 I HN -0.408 nan 8.210 nan 0.000 0.427 419 S N 2.403 118.019 115.700 -0.140 0.000 3.587 419 S HA -0.190 4.281 4.470 0.001 0.000 0.337 419 S C 1.394 175.943 174.600 -0.086 0.000 1.119 419 S CA 0.929 59.088 58.200 -0.069 0.000 0.976 419 S CB -1.629 61.597 63.200 0.043 0.000 0.922 419 S HN 1.324 nan 8.310 nan 0.000 0.503 420 G N 2.242 110.974 108.800 -0.113 0.000 2.599 420 G HA2 -0.341 3.620 3.960 0.001 0.000 0.219 420 G HA3 -0.341 3.620 3.960 0.001 0.000 0.219 420 G C 1.474 176.241 174.900 -0.221 0.000 1.193 420 G CA 1.677 46.736 45.100 -0.067 0.000 0.778 420 G HN 1.318 nan 8.290 nan 0.000 0.589 421 S N 0.268 115.553 115.700 -0.691 0.000 2.515 421 S HA 0.154 4.624 4.470 0.001 0.000 0.231 421 S C 2.115 176.620 174.600 -0.159 0.000 0.987 421 S CA 0.693 58.296 58.200 -0.994 0.000 0.936 421 S CB -0.199 62.350 63.200 -1.085 0.000 0.766 421 S HN 0.329 nan 8.310 nan 0.000 0.528 422 L N 1.920 123.117 121.223 -0.044 0.000 2.492 422 L HA 0.134 4.475 4.340 0.001 0.000 0.223 422 L C 1.231 178.224 176.870 0.205 0.000 1.132 422 L CA 0.544 55.456 54.840 0.119 0.000 0.850 422 L CB -0.914 41.249 42.059 0.173 0.000 0.966 422 L HN 0.487 nan 8.230 nan 0.000 0.454 423 T N -4.113 110.536 114.554 0.158 0.000 2.902 423 T HA 0.293 4.644 4.350 0.001 0.000 0.283 423 T C -1.537 173.316 174.700 0.255 0.000 1.009 423 T CA -2.044 60.167 62.100 0.185 0.000 1.051 423 T CB 1.897 70.816 68.868 0.085 0.000 0.999 423 T HN -0.186 nan 8.240 nan 0.000 0.474 424 P HA -0.154 nan 4.420 nan 0.000 0.216 424 P C 1.822 179.312 177.300 0.316 0.000 1.150 424 P CA 1.466 64.749 63.100 0.305 0.000 0.843 424 P CB -0.340 31.496 31.700 0.226 0.000 0.787 425 V N -3.722 116.330 119.914 0.230 0.000 2.626 425 V HA -0.189 3.932 4.120 0.001 0.000 0.252 425 V C 2.377 178.568 176.094 0.163 0.000 1.067 425 V CA 1.327 63.738 62.300 0.186 0.000 1.081 425 V CB -2.247 29.612 31.823 0.061 0.000 0.686 425 V HN -0.124 nan 8.190 nan 0.000 0.468 426 F N 1.992 121.911 119.950 -0.050 0.000 2.202 426 F HA -0.135 4.392 4.527 0.001 0.000 0.301 426 F C 2.267 178.111 175.800 0.074 0.000 1.082 426 F CA 2.045 60.006 58.000 -0.066 0.000 1.313 426 F CB -0.271 38.559 39.000 -0.284 0.000 1.024 426 F HN 0.337 nan 8.300 nan 0.000 0.495 427 H N -0.911 118.509 119.070 0.582 0.000 2.519 427 H HA 0.181 4.737 4.556 0.001 0.000 0.289 427 H C 0.040 175.628 175.328 0.434 0.000 1.040 427 H CA 0.050 56.402 56.048 0.507 0.000 1.165 427 H CB -0.111 29.916 29.762 0.442 0.000 1.462 427 H HN 0.240 nan 8.280 nan 0.000 0.555 428 Q N 1.828 121.906 119.800 0.464 0.000 2.348 428 Q HA 0.193 4.534 4.340 0.001 0.000 0.265 428 Q C -0.592 175.645 176.000 0.394 0.000 0.998 428 Q CA -0.495 55.531 55.803 0.372 0.000 0.831 428 Q CB 1.032 29.954 28.738 0.307 0.000 1.251 428 Q HN 0.224 nan 8.270 nan 0.000 0.456 429 E N 3.282 123.661 120.200 0.299 0.000 2.404 429 E HA 0.283 4.633 4.350 0.001 0.000 0.261 429 E C -0.450 176.294 176.600 0.239 0.000 1.074 429 E CA 0.365 56.905 56.400 0.233 0.000 0.917 429 E CB 0.778 30.586 29.700 0.180 0.000 0.965 429 E HN 0.600 nan 8.360 nan 0.000 0.433 430 M N 1.002 120.747 119.600 0.241 0.000 2.575 430 M HA 0.412 4.892 4.480 0.001 0.000 0.284 430 M C -1.290 175.133 176.300 0.206 0.000 1.253 430 M CA -1.028 54.420 55.300 0.246 0.000 0.861 430 M CB 2.338 35.132 32.600 0.323 0.000 1.733 430 M HN 0.131 nan 8.290 nan 0.000 0.462 431 V N 1.162 121.212 119.914 0.227 0.000 2.448 431 V HA 0.423 4.543 4.120 0.001 0.000 0.295 431 V C -0.861 175.408 176.094 0.292 0.000 1.025 431 V CA -0.720 61.743 62.300 0.272 0.000 0.859 431 V CB 1.679 33.704 31.823 0.337 0.000 0.988 431 V HN 0.900 nan 8.190 nan 0.000 0.431 432 N N 3.413 122.268 118.700 0.259 0.000 2.424 432 N HA 0.683 5.424 4.740 0.001 0.000 0.271 432 N C -1.499 174.177 175.510 0.276 0.000 0.985 432 N CA -0.485 52.656 53.050 0.151 0.000 0.921 432 N CB 1.229 39.787 38.487 0.118 0.000 1.149 432 N HN 0.718 nan 8.380 nan 0.000 0.492 433 Y N 1.141 121.490 120.300 0.081 0.000 2.638 433 Y HA 0.452 5.003 4.550 0.001 0.000 0.335 433 Y C -1.693 174.280 175.900 0.122 0.000 1.155 433 Y CA -1.569 56.591 58.100 0.100 0.000 1.046 433 Y CB 0.599 39.104 38.460 0.076 0.000 1.303 433 Y HN 0.316 nan 8.280 nan 0.000 0.460 434 F N 3.485 123.523 119.950 0.146 0.000 2.391 434 F HA 0.742 5.269 4.527 0.001 0.000 0.359 434 F C -1.457 174.398 175.800 0.091 0.000 1.122 434 F CA -0.597 57.437 58.000 0.057 0.000 1.120 434 F CB 0.413 39.442 39.000 0.047 0.000 1.142 434 F HN 0.499 nan 8.300 nan 0.000 0.483 435 L N 4.690 125.552 121.223 -0.600 0.000 2.319 435 L HA 0.573 4.914 4.340 0.001 0.000 0.267 435 L C -0.378 176.007 176.870 -0.809 0.000 1.011 435 L CA -1.032 53.540 54.840 -0.447 0.000 0.818 435 L CB 2.083 44.023 42.059 -0.199 0.000 1.316 435 L HN 0.569 nan 8.230 nan 0.000 0.432 436 S N 0.843 116.298 115.700 -0.409 0.000 2.542 436 S HA 0.636 5.107 4.470 0.001 0.000 0.293 436 S C -2.616 171.910 174.600 -0.123 0.000 1.089 436 S CA -1.390 56.628 58.200 -0.302 0.000 0.961 436 S CB 1.994 65.153 63.200 -0.068 0.000 1.062 436 S HN 0.221 nan 8.310 nan 0.000 0.483 437 P HA 0.405 nan 4.420 nan 0.000 0.269 437 P C -1.263 175.812 177.300 -0.375 0.000 1.211 437 P CA 0.027 62.969 63.100 -0.262 0.000 0.781 437 P CB 0.486 32.005 31.700 -0.301 0.000 0.877 438 A N 1.125 123.702 122.820 -0.404 0.000 2.601 438 A HA 0.664 4.985 4.320 0.001 0.000 0.291 438 A C -1.642 175.691 177.584 -0.418 0.000 1.075 438 A CA -0.511 51.279 52.037 -0.411 0.000 0.671 438 A CB 0.659 19.396 19.000 -0.438 0.000 1.277 438 A HN 0.325 nan 8.150 nan 0.000 0.417 439 F N 0.720 120.572 119.950 -0.164 0.000 2.404 439 F HA 0.710 5.237 4.527 0.001 0.000 0.339 439 F C 0.972 176.710 175.800 -0.103 0.000 1.105 439 F CA 0.165 58.080 58.000 -0.142 0.000 1.087 439 F CB 1.806 40.643 39.000 -0.272 0.000 1.143 439 F HN 0.550 nan 8.300 nan 0.000 0.491 440 R N 1.633 122.204 120.500 0.118 0.000 2.837 440 R HA 0.433 4.774 4.340 0.001 0.000 0.271 440 R C -1.519 174.798 176.300 0.028 0.000 0.993 440 R CA -1.128 55.001 56.100 0.049 0.000 0.931 440 R CB 1.963 32.340 30.300 0.127 0.000 1.206 440 R HN 0.545 nan 8.270 nan 0.000 0.474 441 Y N 1.224 121.621 120.300 0.161 0.000 2.300 441 Y HA 0.170 4.721 4.550 0.001 0.000 0.328 441 Y C 0.608 176.537 175.900 0.048 0.000 1.270 441 Y CA 0.157 58.342 58.100 0.141 0.000 1.352 441 Y CB 1.176 39.777 38.460 0.235 0.000 1.286 441 Y HN 0.446 nan 8.280 nan 0.000 0.536 442 Q N 1.763 121.666 119.800 0.172 0.000 2.462 442 Q HA 0.533 4.873 4.340 0.001 0.000 0.285 442 Q C -3.078 172.858 176.000 -0.107 0.000 1.035 442 Q CA -2.283 53.531 55.803 0.017 0.000 0.799 442 Q CB 1.976 30.725 28.738 0.020 0.000 1.452 442 Q HN 0.337 nan 8.270 nan 0.000 0.404 443 P HA 0.091 nan 4.420 nan 0.000 0.269 443 P C -0.817 176.247 177.300 -0.393 0.000 1.215 443 P CA -0.059 62.863 63.100 -0.296 0.000 0.780 443 P CB 0.529 32.073 31.700 -0.261 0.000 0.898 444 D N 2.502 122.526 120.400 -0.628 0.000 2.414 444 D HA 0.029 4.670 4.640 0.001 0.000 0.242 444 D C -0.935 174.819 176.300 -0.911 0.000 1.129 444 D CA -0.943 52.446 54.000 -1.018 0.000 0.885 444 D CB 0.584 40.188 40.800 -1.993 0.000 1.198 444 D HN 0.326 nan 8.370 nan 0.000 0.437 445 P HA -0.087 nan 4.420 nan 0.000 0.228 445 P C 0.158 177.191 177.300 -0.445 0.000 1.151 445 P CA 0.865 63.645 63.100 -0.533 0.000 0.770 445 P CB 0.118 31.493 31.700 -0.542 0.000 0.786 446 W N 0.000 120.926 121.300 -0.623 0.000 2.388 446 W HA 0.000 4.661 4.660 0.001 0.000 0.303 446 W CA 0.000 57.115 57.345 -0.383 0.000 1.226 446 W CB 0.000 29.187 29.460 -0.455 0.000 1.126 446 W HN 0.000 nan 8.180 nan 0.000 0.535