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 3d7k_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGAHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.592 177.584 0.014 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.005 19.000 0.009 0.000 0.831 3 M N 2.225 121.832 119.600 0.012 0.000 2.149 3 M HA 0.576 5.057 4.480 0.001 0.000 0.342 3 M C -0.458 175.852 176.300 0.018 0.000 1.068 3 M CA -0.575 54.732 55.300 0.012 0.000 0.991 3 M CB 0.472 33.075 32.600 0.006 0.000 1.596 3 M HN 0.628 nan 8.290 nan 0.000 0.439 4 I N 0.043 120.626 120.570 0.022 0.000 2.846 4 I HA 0.774 4.945 4.170 0.001 0.000 0.307 4 I C 0.435 176.570 176.117 0.030 0.000 1.053 4 I CA -0.839 60.480 61.300 0.031 0.000 1.050 4 I CB 2.120 40.145 38.000 0.041 0.000 1.239 4 I HN 0.662 nan 8.210 nan 0.000 0.439 5 T N 0.709 115.286 114.554 0.039 0.000 2.904 5 T HA 0.333 4.683 4.350 0.001 0.000 0.290 5 T C 1.265 175.991 174.700 0.044 0.000 1.018 5 T CA -0.081 62.044 62.100 0.041 0.000 1.075 5 T CB 1.298 70.200 68.868 0.056 0.000 0.986 5 T HN 0.927 nan 8.240 nan 0.000 0.523 6 G N 0.984 109.810 108.800 0.043 0.000 2.469 6 G HA2 -0.081 3.879 3.960 0.001 0.000 0.220 6 G HA3 -0.081 3.879 3.960 0.001 0.000 0.220 6 G C 1.535 176.468 174.900 0.056 0.000 1.136 6 G CA 0.663 45.792 45.100 0.048 0.000 0.759 6 G HN 1.053 nan 8.290 nan 0.000 0.562 7 G N 0.604 109.446 108.800 0.070 0.000 2.418 7 G HA2 -0.172 3.788 3.960 0.001 0.000 0.217 7 G HA3 -0.172 3.788 3.960 0.001 0.000 0.217 7 G C 1.582 176.513 174.900 0.051 0.000 1.158 7 G CA 1.289 46.432 45.100 0.072 0.000 0.771 7 G HN 0.521 nan 8.290 nan 0.000 0.545 8 E N 0.470 120.703 120.200 0.056 0.000 2.110 8 E HA -0.058 4.292 4.350 0.001 0.000 0.193 8 E C 2.456 179.062 176.600 0.010 0.000 0.988 8 E CA 0.704 57.132 56.400 0.047 0.000 0.804 8 E CB -0.422 29.323 29.700 0.075 0.000 0.745 8 E HN 0.452 nan 8.360 nan 0.000 0.458 9 L N -0.449 120.787 121.223 0.022 0.000 2.042 9 L HA -0.202 4.138 4.340 0.001 0.000 0.210 9 L C 2.441 179.312 176.870 0.002 0.000 1.076 9 L CA 1.068 55.917 54.840 0.014 0.000 0.749 9 L CB -0.556 41.522 42.059 0.032 0.000 0.893 9 L HN 0.105 nan 8.230 nan 0.000 0.432 10 V N -0.663 119.258 119.914 0.011 0.000 2.252 10 V HA -0.293 3.828 4.120 0.001 0.000 0.249 10 V C 2.386 178.459 176.094 -0.035 0.000 1.056 10 V CA 1.913 64.215 62.300 0.004 0.000 1.022 10 V CB -0.447 31.384 31.823 0.014 0.000 0.641 10 V HN 0.213 nan 8.190 nan 0.000 0.445 11 V N -0.280 119.596 119.914 -0.064 0.000 2.358 11 V HA -0.218 3.902 4.120 0.001 0.000 0.246 11 V C 2.563 178.540 176.094 -0.194 0.000 1.047 11 V CA 1.948 64.172 62.300 -0.127 0.000 1.035 11 V CB -0.817 30.925 31.823 -0.136 0.000 0.658 11 V HN 0.459 nan 8.190 nan 0.000 0.452 12 R N -0.169 120.207 120.500 -0.207 0.000 2.127 12 R HA -0.146 4.195 4.340 0.001 0.000 0.238 12 R C 2.315 178.552 176.300 -0.105 0.000 1.134 12 R CA 1.888 57.867 56.100 -0.200 0.000 0.975 12 R CB -0.631 29.595 30.300 -0.123 0.000 0.865 12 R HN 0.508 nan 8.270 nan 0.000 0.447 13 T N 1.306 115.823 114.554 -0.063 0.000 2.857 13 T HA 0.002 4.352 4.350 0.001 0.000 0.266 13 T C 1.865 176.546 174.700 -0.030 0.000 1.048 13 T CA 0.677 62.760 62.100 -0.028 0.000 1.139 13 T CB -0.008 68.860 68.868 0.000 0.000 0.874 13 T HN 0.125 nan 8.240 nan 0.000 0.455 14 L N 0.232 121.426 121.223 -0.048 0.000 2.083 14 L HA -0.036 4.304 4.340 0.001 0.000 0.209 14 L C 2.348 179.191 176.870 -0.045 0.000 1.083 14 L CA 1.158 55.973 54.840 -0.042 0.000 0.752 14 L CB -0.475 41.548 42.059 -0.060 0.000 0.899 14 L HN 0.284 nan 8.230 nan 0.000 0.433 15 I N -0.190 120.335 120.570 -0.075 0.000 2.110 15 I HA -0.324 3.846 4.170 0.001 0.000 0.236 15 I C 2.549 178.646 176.117 -0.034 0.000 1.068 15 I CA 1.200 62.460 61.300 -0.066 0.000 1.333 15 I CB -0.255 37.680 38.000 -0.108 0.000 1.054 15 I HN 0.115 nan 8.210 nan 0.000 0.402 16 K N 1.024 121.403 120.400 -0.034 0.000 2.207 16 K HA -0.238 4.083 4.320 0.001 0.000 0.208 16 K C 1.694 178.291 176.600 -0.004 0.000 1.046 16 K CA 1.764 58.042 56.287 -0.014 0.000 0.929 16 K CB -0.209 32.284 32.500 -0.012 0.000 0.720 16 K HN 0.426 nan 8.250 nan 0.000 0.463 17 A N -0.971 121.847 122.820 -0.003 0.000 2.251 17 A HA 0.275 4.596 4.320 0.001 0.000 0.209 17 A C 1.309 178.902 177.584 0.014 0.000 1.187 17 A CA 0.699 52.741 52.037 0.008 0.000 0.823 17 A CB -0.339 18.670 19.000 0.015 0.000 0.846 17 A HN 0.482 nan 8.150 nan 0.000 0.486 18 G N -1.206 107.600 108.800 0.009 0.000 2.143 18 G HA2 -0.205 3.756 3.960 0.001 0.000 0.249 18 G HA3 -0.205 3.756 3.960 0.001 0.000 0.249 18 G C 0.188 175.109 174.900 0.035 0.000 0.981 18 G CA 0.152 45.263 45.100 0.019 0.000 0.665 18 G HN 0.758 nan 8.290 nan 0.000 0.528 19 V N 0.080 120.008 119.914 0.022 0.000 2.637 19 V HA 0.367 4.487 4.120 0.001 0.000 0.296 19 V C 1.169 177.261 176.094 -0.003 0.000 1.046 19 V CA 1.001 63.321 62.300 0.033 0.000 1.066 19 V CB 1.449 33.277 31.823 0.009 0.000 0.968 19 V HN 0.481 nan 8.190 nan 0.000 0.483 20 E N 1.669 121.884 120.200 0.025 0.000 2.606 20 E HA 0.233 4.584 4.350 0.001 0.000 0.224 20 E C -0.775 175.550 176.600 -0.459 0.000 0.930 20 E CA -0.065 56.260 56.400 -0.126 0.000 1.125 20 E CB 0.760 30.456 29.700 -0.007 0.000 1.123 20 E HN 0.869 nan 8.360 nan 0.000 0.522 21 H N -0.570 118.409 119.070 -0.152 0.000 2.947 21 H HA 0.398 4.955 4.556 0.001 0.000 0.354 21 H C -1.367 173.673 175.328 -0.480 0.000 1.085 21 H CA -0.554 55.266 56.048 -0.380 0.000 1.253 21 H CB 1.434 30.902 29.762 -0.490 0.000 1.757 21 H HN -0.135 nan 8.280 nan 0.000 0.523 22 L N 2.422 123.360 121.223 -0.474 0.000 2.319 22 L HA 0.592 4.932 4.340 0.001 0.000 0.267 22 L C -1.098 175.380 176.870 -0.653 0.000 1.011 22 L CA -0.434 54.160 54.840 -0.411 0.000 0.818 22 L CB 1.141 43.018 42.059 -0.303 0.000 1.316 22 L HN 0.496 nan 8.230 nan 0.000 0.432 23 F N -0.049 119.798 119.950 -0.173 0.000 2.547 23 F HA 0.810 5.338 4.527 0.001 0.000 0.316 23 F C 0.583 176.346 175.800 -0.062 0.000 1.121 23 F CA -0.338 57.595 58.000 -0.112 0.000 0.911 23 F CB 2.204 41.130 39.000 -0.123 0.000 1.179 23 F HN 0.512 nan 8.300 nan 0.000 0.443 24 G N 1.692 110.589 108.800 0.162 0.000 2.450 24 G HA2 0.592 4.552 3.960 0.001 0.000 0.273 24 G HA3 0.592 4.552 3.960 0.001 0.000 0.273 24 G C -2.377 172.653 174.900 0.216 0.000 1.221 24 G CA -0.736 44.466 45.100 0.170 0.000 0.900 24 G HN 0.698 nan 8.290 nan 0.000 0.483 25 L N -0.035 121.353 121.223 0.273 0.000 2.705 25 L HA 0.456 4.796 4.340 0.001 0.000 0.260 25 L C -0.840 176.140 176.870 0.183 0.000 0.921 25 L CA -0.857 54.111 54.840 0.213 0.000 0.948 25 L CB 2.161 44.285 42.059 0.108 0.000 1.427 25 L HN 0.966 nan 8.230 nan 0.000 0.432 26 H N 2.583 121.622 119.070 -0.052 0.000 2.771 26 H HA 0.642 5.198 4.556 0.001 0.000 0.364 26 H C -0.070 175.111 175.328 -0.245 0.000 1.133 26 H CA 1.269 57.069 56.048 -0.412 0.000 1.423 26 H CB 1.327 30.681 29.762 -0.680 0.000 1.425 26 H HN 0.728 nan 8.280 nan 0.000 0.606 27 G N 1.021 109.328 108.800 -0.822 0.000 2.698 27 G HA2 0.457 4.418 3.960 0.001 0.000 0.293 27 G HA3 0.457 4.418 3.960 0.001 0.000 0.293 27 G C 0.115 174.616 174.900 -0.665 0.000 1.437 27 G CA -0.257 44.566 45.100 -0.462 0.000 0.852 27 G HN 0.837 nan 8.290 nan 0.000 0.499 28 A N -0.059 122.560 122.820 -0.334 0.000 1.933 28 A HA -0.045 4.275 4.320 0.001 0.000 0.218 28 A C 1.914 179.180 177.584 -0.530 0.000 1.175 28 A CA 2.287 54.147 52.037 -0.296 0.000 0.628 28 A CB -0.879 18.016 19.000 -0.175 0.000 0.814 28 A HN 0.781 nan 8.150 nan 0.000 0.444 29 H N 0.171 118.661 119.070 -0.967 0.000 2.460 29 H HA -0.117 4.440 4.556 0.001 0.000 0.297 29 H C 1.568 176.612 175.328 -0.472 0.000 1.103 29 H CA 1.727 57.027 56.048 -1.246 0.000 1.292 29 H CB -0.335 28.887 29.762 -0.901 0.000 1.376 29 H HN 0.734 nan 8.280 nan 0.000 0.531 30 I N -3.324 117.122 120.570 -0.206 0.000 4.025 30 I HA 0.208 4.379 4.170 0.001 0.000 0.336 30 I C 1.174 177.327 176.117 0.061 0.000 1.390 30 I CA 0.029 61.313 61.300 -0.026 0.000 1.099 30 I CB 0.534 38.554 38.000 0.034 0.000 1.049 30 I HN -0.136 nan 8.210 nan 0.000 0.394 31 D N 2.784 123.154 120.400 -0.051 0.000 2.133 31 D HA -0.273 4.367 4.640 0.001 0.000 0.192 31 D C 2.379 178.818 176.300 0.232 0.000 1.001 31 D CA 3.001 57.066 54.000 0.109 0.000 0.844 31 D CB 0.125 41.008 40.800 0.139 0.000 0.944 31 D HN 0.551 nan 8.370 nan 0.000 0.447 32 T N -1.479 113.190 114.554 0.192 0.000 2.778 32 T HA -0.206 4.144 4.350 0.001 0.000 0.269 32 T C 2.159 176.958 174.700 0.164 0.000 1.050 32 T CA 1.367 63.568 62.100 0.168 0.000 1.137 32 T CB -0.691 68.264 68.868 0.145 0.000 0.860 32 T HN 0.275 nan 8.240 nan 0.000 0.468 33 I N -0.661 120.016 120.570 0.178 0.000 2.353 33 I HA 0.035 4.205 4.170 0.001 0.000 0.248 33 I C 2.183 178.367 176.117 0.112 0.000 1.119 33 I CA 1.022 62.389 61.300 0.113 0.000 1.417 33 I CB -0.387 37.655 38.000 0.071 0.000 1.078 33 I HN 0.121 nan 8.210 nan 0.000 0.421 34 F N 1.057 121.043 119.950 0.060 0.000 2.146 34 F HA -0.187 4.340 4.527 0.000 0.000 0.298 34 F C 2.724 178.569 175.800 0.075 0.000 1.096 34 F CA 1.230 59.281 58.000 0.084 0.000 1.275 34 F CB -0.445 38.659 39.000 0.174 0.000 1.008 34 F HN 0.043 nan 8.300 nan 0.000 0.480 35 Q N 0.131 120.093 119.800 0.271 0.000 2.050 35 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 35 Q C 2.577 178.654 176.000 0.129 0.000 0.980 35 Q CA 1.544 57.449 55.803 0.171 0.000 0.840 35 Q CB -1.210 27.616 28.738 0.145 0.000 0.898 35 Q HN 0.414 nan 8.270 nan 0.000 0.424 36 A N 0.490 123.388 122.820 0.131 0.000 1.908 36 A HA -0.199 4.122 4.320 0.001 0.000 0.218 36 A C 2.593 180.281 177.584 0.173 0.000 1.181 36 A CA 1.567 53.697 52.037 0.155 0.000 0.627 36 A CB -1.075 17.994 19.000 0.115 0.000 0.818 36 A HN 0.472 nan 8.150 nan 0.000 0.445 37 C N -1.010 118.328 119.300 0.063 0.000 2.413 37 C HA -0.102 4.358 4.460 0.001 0.000 0.277 37 C C 2.554 177.561 174.990 0.028 0.000 1.265 37 C CA 1.041 60.062 59.018 0.004 0.000 1.752 37 C CB -1.518 26.143 27.740 -0.131 0.000 1.998 37 C HN 0.668 nan 8.230 nan 0.000 0.489 38 L N 0.629 121.879 121.223 0.045 0.000 1.989 38 L HA -0.188 4.153 4.340 0.001 0.000 0.211 38 L C 2.318 179.191 176.870 0.006 0.000 1.071 38 L CA 1.866 56.725 54.840 0.032 0.000 0.749 38 L CB -0.622 41.469 42.059 0.054 0.000 0.890 38 L HN 0.337 nan 8.230 nan 0.000 0.431 39 D N -1.123 119.279 120.400 0.003 0.000 2.144 39 D HA -0.185 4.456 4.640 0.001 0.000 0.199 39 D C 1.617 177.777 176.300 -0.233 0.000 0.984 39 D CA 1.387 55.325 54.000 -0.105 0.000 0.834 39 D CB -0.133 40.592 40.800 -0.125 0.000 0.955 39 D HN 0.476 nan 8.370 nan 0.000 0.465 40 H N -0.567 118.489 119.070 -0.024 0.000 2.529 40 H HA 0.113 4.670 4.556 0.001 0.000 0.277 40 H C -0.216 175.083 175.328 -0.048 0.000 1.004 40 H CA 0.148 56.177 56.048 -0.033 0.000 1.167 40 H CB 0.325 30.066 29.762 -0.036 0.000 1.445 40 H HN -0.090 nan 8.280 nan 0.000 0.554 41 D N 0.107 120.519 120.400 0.020 0.000 2.723 41 D HA -0.167 4.473 4.640 0.001 0.000 0.236 41 D C -1.107 175.163 176.300 -0.050 0.000 1.138 41 D CA 0.242 54.231 54.000 -0.019 0.000 0.676 41 D CB -1.309 39.477 40.800 -0.024 0.000 1.069 41 D HN 0.124 nan 8.370 nan 0.000 0.430 42 V N 2.018 121.895 119.914 -0.062 0.000 2.318 42 V HA 0.410 4.531 4.120 0.001 0.000 0.271 42 V C -1.544 174.435 176.094 -0.191 0.000 1.030 42 V CA -1.246 60.968 62.300 -0.143 0.000 0.844 42 V CB 1.231 32.974 31.823 -0.133 0.000 1.015 42 V HN 0.188 nan 8.190 nan 0.000 0.460 43 P HA 0.159 nan 4.420 nan 0.000 0.264 43 P C -0.504 176.626 177.300 -0.283 0.000 1.193 43 P CA 0.344 63.313 63.100 -0.217 0.000 0.763 43 P CB 0.769 32.348 31.700 -0.203 0.000 0.810 44 I N 4.513 124.927 120.570 -0.261 0.000 2.355 44 I HA 0.226 4.396 4.170 0.001 0.000 0.288 44 I C 0.456 176.439 176.117 -0.224 0.000 0.999 44 I CA -0.942 60.158 61.300 -0.333 0.000 1.163 44 I CB 1.210 38.931 38.000 -0.465 0.000 1.316 44 I HN 0.090 nan 8.210 nan 0.000 0.454 45 I N 6.464 126.843 120.570 -0.317 0.000 2.294 45 I HA 0.058 4.228 4.170 0.001 0.000 0.295 45 I C 0.222 176.345 176.117 0.010 0.000 1.098 45 I CA -0.241 60.966 61.300 -0.154 0.000 1.277 45 I CB -0.144 37.707 38.000 -0.249 0.000 1.434 45 I HN 0.557 nan 8.210 nan 0.000 0.498 46 D N 5.269 125.713 120.400 0.072 0.000 2.295 46 D HA 0.235 4.875 4.640 0.001 0.000 0.248 46 D C 0.354 176.719 176.300 0.108 0.000 1.154 46 D CA -0.318 53.767 54.000 0.141 0.000 0.857 46 D CB 1.705 42.624 40.800 0.200 0.000 1.117 46 D HN 0.481 nan 8.370 nan 0.000 0.468 47 T N 0.347 114.966 114.554 0.109 0.000 2.898 47 T HA 0.403 4.754 4.350 0.001 0.000 0.283 47 T C 1.007 175.728 174.700 0.035 0.000 1.059 47 T CA -0.820 61.319 62.100 0.065 0.000 0.958 47 T CB 1.293 70.207 68.868 0.078 0.000 1.594 47 T HN 0.181 nan 8.240 nan 0.000 0.598 48 R N -0.306 120.194 120.500 0.000 0.000 2.365 48 R HA 0.319 4.659 4.340 0.001 0.000 0.223 48 R C 0.097 176.437 176.300 0.067 0.000 0.899 48 R CA 0.109 56.207 56.100 -0.003 0.000 1.059 48 R CB -0.513 29.739 30.300 -0.081 0.000 1.086 48 R HN 0.741 nan 8.270 nan 0.000 0.522 49 H N -0.404 118.647 119.070 -0.031 0.000 3.038 49 H HA 0.187 4.743 4.556 0.001 0.000 0.362 49 H C -0.096 175.230 175.328 -0.002 0.000 1.167 49 H CA -0.253 55.786 56.048 -0.015 0.000 1.197 49 H CB 1.913 31.665 29.762 -0.016 0.000 1.840 49 H HN -0.230 nan 8.280 nan 0.000 0.540 50 E N 2.704 123.011 120.200 0.178 0.000 2.153 50 E HA -0.068 4.282 4.350 0.001 0.000 0.194 50 E C 1.972 178.668 176.600 0.159 0.000 0.988 50 E CA 1.487 57.972 56.400 0.140 0.000 0.811 50 E CB 0.120 29.848 29.700 0.047 0.000 0.746 50 E HN 0.635 nan 8.360 nan 0.000 0.466 51 A N 1.135 124.142 122.820 0.310 0.000 1.892 51 A HA -0.216 4.104 4.320 0.001 0.000 0.218 51 A C 2.381 179.922 177.584 -0.072 0.000 1.188 51 A CA 2.125 54.142 52.037 -0.034 0.000 0.631 51 A CB -0.946 17.964 19.000 -0.149 0.000 0.822 51 A HN 0.319 nan 8.150 nan 0.000 0.447 52 A N -0.550 122.298 122.820 0.047 0.000 1.930 52 A HA 0.251 4.572 4.320 0.001 0.000 0.217 52 A C 2.483 180.096 177.584 0.049 0.000 1.175 52 A CA 1.859 53.938 52.037 0.070 0.000 0.627 52 A CB -0.921 18.083 19.000 0.006 0.000 0.815 52 A HN 1.062 nan 8.150 nan 0.000 0.443 53 A N -0.319 122.540 122.820 0.065 0.000 1.902 53 A HA 0.117 4.437 4.320 0.001 0.000 0.217 53 A C 2.393 179.977 177.584 0.002 0.000 1.181 53 A CA 1.897 53.983 52.037 0.082 0.000 0.623 53 A CB -1.352 17.730 19.000 0.136 0.000 0.818 53 A HN 0.700 nan 8.150 nan 0.000 0.443 54 G N -1.529 107.273 108.800 0.003 0.000 2.422 54 G HA2 -0.227 3.733 3.960 0.001 0.000 0.218 54 G HA3 -0.227 3.733 3.960 0.001 0.000 0.218 54 G C 1.486 176.345 174.900 -0.068 0.000 1.146 54 G CA 1.085 46.213 45.100 0.045 0.000 0.769 54 G HN 0.650 nan 8.290 nan 0.000 0.547 55 H N 0.641 119.711 119.070 -0.001 0.000 2.428 55 H HA 0.158 4.715 4.556 0.001 0.000 0.296 55 H C 2.875 178.099 175.328 -0.174 0.000 1.062 55 H CA 0.882 56.895 56.048 -0.058 0.000 1.350 55 H CB -0.419 29.313 29.762 -0.050 0.000 1.403 55 H HN 0.377 nan 8.280 nan 0.000 0.533 56 A N 1.449 124.177 122.820 -0.153 0.000 1.865 56 A HA -0.136 4.184 4.320 0.001 0.000 0.217 56 A C 2.730 179.826 177.584 -0.813 0.000 1.191 56 A CA 1.988 53.729 52.037 -0.493 0.000 0.623 56 A CB -1.013 17.633 19.000 -0.589 0.000 0.826 56 A HN 0.415 nan 8.150 nan 0.000 0.444 57 A N -0.300 122.053 122.820 -0.777 0.000 1.927 57 A HA -0.266 4.054 4.320 0.001 0.000 0.220 57 A C 1.922 179.369 177.584 -0.227 0.000 1.185 57 A CA 2.018 53.749 52.037 -0.510 0.000 0.639 57 A CB -0.640 18.147 19.000 -0.355 0.000 0.820 57 A HN 0.688 nan 8.150 nan 0.000 0.451 58 E N -1.045 119.066 120.200 -0.149 0.000 2.031 58 E HA -0.102 4.249 4.350 0.001 0.000 0.193 58 E C 2.252 178.822 176.600 -0.050 0.000 0.994 58 E CA 0.825 57.201 56.400 -0.040 0.000 0.800 58 E CB -0.431 29.299 29.700 0.049 0.000 0.752 58 E HN 0.608 nan 8.360 nan 0.000 0.447 59 G N 0.404 109.150 108.800 -0.089 0.000 2.418 59 G HA2 -0.310 3.650 3.960 0.001 0.000 0.217 59 G HA3 -0.310 3.650 3.960 0.001 0.000 0.217 59 G C 1.423 176.294 174.900 -0.049 0.000 1.158 59 G CA 0.899 45.944 45.100 -0.090 0.000 0.771 59 G HN 0.299 nan 8.290 nan 0.000 0.545 60 Y N 1.953 122.124 120.300 -0.215 0.000 2.224 60 Y HA 0.009 4.559 4.550 0.000 0.000 0.289 60 Y C 2.835 178.692 175.900 -0.071 0.000 1.146 60 Y CA 1.458 59.479 58.100 -0.131 0.000 1.182 60 Y CB -0.159 38.226 38.460 -0.125 0.000 0.983 60 Y HN 0.250 nan 8.280 nan 0.000 0.524 61 A N 0.421 123.301 122.820 0.100 0.000 1.897 61 A HA -0.091 4.229 4.320 0.001 0.000 0.215 61 A C 2.258 179.810 177.584 -0.052 0.000 1.181 61 A CA 1.408 53.464 52.037 0.031 0.000 0.620 61 A CB -0.501 18.535 19.000 0.060 0.000 0.821 61 A HN 0.502 nan 8.150 nan 0.000 0.443 62 R N -0.335 120.133 120.500 -0.053 0.000 2.070 62 R HA -0.061 4.279 4.340 0.001 0.000 0.233 62 R C 2.520 178.766 176.300 -0.090 0.000 1.137 62 R CA 1.354 57.413 56.100 -0.070 0.000 0.945 62 R CB -0.512 29.742 30.300 -0.077 0.000 0.845 62 R HN 0.482 nan 8.270 nan 0.000 0.430 63 A N 0.534 123.289 122.820 -0.109 0.000 1.902 63 A HA -0.076 4.244 4.320 0.001 0.000 0.217 63 A C 2.231 179.720 177.584 -0.157 0.000 1.181 63 A CA 1.736 53.701 52.037 -0.120 0.000 0.623 63 A CB -0.915 18.015 19.000 -0.116 0.000 0.818 63 A HN 0.488 nan 8.150 nan 0.000 0.443 64 G N -1.866 106.786 108.800 -0.248 0.000 2.985 64 G HA2 0.365 4.325 3.960 0.001 0.000 0.209 64 G HA3 0.365 4.325 3.960 0.001 0.000 0.209 64 G C 0.822 175.617 174.900 -0.175 0.000 1.165 64 G CA 0.647 45.581 45.100 -0.276 0.000 0.776 64 G HN 1.528 nan 8.290 nan 0.000 0.541 65 A N 0.131 122.875 122.820 -0.125 0.000 2.462 65 A HA -0.127 4.193 4.320 0.001 0.000 0.294 65 A C 0.877 178.422 177.584 -0.066 0.000 1.461 65 A CA 1.786 53.775 52.037 -0.080 0.000 0.765 65 A CB -1.792 17.171 19.000 -0.063 0.000 1.071 65 A HN 0.804 nan 8.150 nan 0.000 0.401 66 K N -1.634 118.729 120.400 -0.062 0.000 2.250 66 K HA 0.836 5.156 4.320 0.001 0.000 0.261 66 K C -0.504 176.123 176.600 0.046 0.000 1.047 66 K CA -1.211 55.068 56.287 -0.013 0.000 0.884 66 K CB 0.697 33.181 32.500 -0.027 0.000 1.476 66 K HN 0.547 nan 8.250 nan 0.000 0.445 67 L N 1.514 122.792 121.223 0.092 0.000 2.360 67 L HA 0.350 4.691 4.340 0.001 0.000 0.276 67 L C -0.023 176.977 176.870 0.216 0.000 1.121 67 L CA 0.684 55.594 54.840 0.115 0.000 0.845 67 L CB 0.790 42.903 42.059 0.091 0.000 1.143 67 L HN 0.761 nan 8.230 nan 0.000 0.452 68 G N 4.580 113.476 108.800 0.160 0.000 2.377 68 G HA2 0.564 4.524 3.960 0.001 0.000 0.299 68 G HA3 0.564 4.524 3.960 0.001 0.000 0.299 68 G C -1.359 173.526 174.900 -0.025 0.000 1.150 68 G CA -0.460 44.720 45.100 0.134 0.000 0.847 68 G HN 0.537 nan 8.290 nan 0.000 0.501 69 V N 1.126 121.022 119.914 -0.028 0.000 2.483 69 V HA 0.696 4.816 4.120 0.001 0.000 0.297 69 V C 0.284 176.345 176.094 -0.055 0.000 1.027 69 V CA -0.851 61.404 62.300 -0.075 0.000 0.855 69 V CB 1.113 32.906 31.823 -0.050 0.000 0.995 69 V HN 1.104 nan 8.190 nan 0.000 0.424 70 A N 5.422 128.142 122.820 -0.168 0.000 2.324 70 A HA 0.925 5.245 4.320 0.001 0.000 0.330 70 A C -0.953 176.634 177.584 0.005 0.000 1.165 70 A CA -0.611 51.370 52.037 -0.093 0.000 0.813 70 A CB 1.394 20.226 19.000 -0.279 0.000 1.197 70 A HN 0.833 nan 8.150 nan 0.000 0.484 71 L N 3.608 124.866 121.223 0.059 0.000 2.404 71 L HA 0.688 5.028 4.340 0.001 0.000 0.272 71 L C -1.056 175.888 176.870 0.122 0.000 0.980 71 L CA -0.681 54.202 54.840 0.071 0.000 0.836 71 L CB 1.666 43.731 42.059 0.010 0.000 1.238 71 L HN 0.793 nan 8.230 nan 0.000 0.408 72 V N 0.585 120.572 119.914 0.122 0.000 3.130 72 V HA 0.671 4.791 4.120 0.001 0.000 0.310 72 V C -0.458 175.663 176.094 0.045 0.000 1.158 72 V CA -0.502 61.857 62.300 0.098 0.000 1.029 72 V CB 1.980 33.867 31.823 0.108 0.000 1.057 72 V HN 0.695 nan 8.190 nan 0.000 0.436 73 T N 0.786 115.329 114.554 -0.019 0.000 2.884 73 T HA 0.756 5.107 4.350 0.001 0.000 0.277 73 T C 0.464 175.071 174.700 -0.154 0.000 0.976 73 T CA 0.219 62.250 62.100 -0.114 0.000 0.956 73 T CB 1.233 69.991 68.868 -0.183 0.000 1.113 73 T HN 1.841 nan 8.240 nan 0.000 0.554 74 A N 0.474 123.084 122.820 -0.350 0.000 2.520 74 A HA 0.522 4.843 4.320 0.001 0.000 0.235 74 A C 1.479 178.916 177.584 -0.246 0.000 1.065 74 A CA 0.648 52.457 52.037 -0.379 0.000 0.764 74 A CB -1.274 17.265 19.000 -0.768 0.000 1.002 74 A HN 1.860 nan 8.150 nan 0.000 0.502 75 G N 1.729 110.457 108.800 -0.121 0.000 2.720 75 G HA2 -0.152 3.809 3.960 0.001 0.000 0.293 75 G HA3 -0.152 3.809 3.960 0.001 0.000 0.293 75 G C 1.527 176.437 174.900 0.017 0.000 1.256 75 G CA 1.050 46.120 45.100 -0.050 0.000 0.974 75 G HN 1.973 nan 8.290 nan 0.000 0.551 76 G N 1.021 109.797 108.800 -0.039 0.000 2.443 76 G HA2 0.293 4.254 3.960 0.001 0.000 0.219 76 G HA3 0.293 4.254 3.960 0.001 0.000 0.219 76 G C 1.844 176.707 174.900 -0.063 0.000 1.131 76 G CA 2.013 47.083 45.100 -0.049 0.000 0.775 76 G HN 1.710 nan 8.290 nan 0.000 0.547 77 G N 0.922 109.690 108.800 -0.053 0.000 2.459 77 G HA2 -0.264 3.696 3.960 0.001 0.000 0.217 77 G HA3 -0.264 3.696 3.960 0.001 0.000 0.217 77 G C 1.602 176.500 174.900 -0.004 0.000 1.183 77 G CA 1.093 46.173 45.100 -0.033 0.000 0.776 77 G HN 0.403 nan 8.290 nan 0.000 0.552 78 F N 2.650 122.547 119.950 -0.088 0.000 2.146 78 F HA -0.100 4.427 4.527 0.001 0.000 0.298 78 F C 2.987 178.735 175.800 -0.087 0.000 1.096 78 F CA 2.411 60.360 58.000 -0.084 0.000 1.275 78 F CB -0.734 38.205 39.000 -0.101 0.000 1.008 78 F HN 0.225 nan 8.300 nan 0.000 0.480 79 T N -1.547 112.831 114.554 -0.294 0.000 2.867 79 T HA -0.160 4.190 4.350 0.001 0.000 0.268 79 T C 1.671 176.182 174.700 -0.315 0.000 1.057 79 T CA 1.395 63.261 62.100 -0.390 0.000 1.136 79 T CB -0.724 68.081 68.868 -0.106 0.000 0.874 79 T HN 0.267 nan 8.240 nan 0.000 0.466 80 N N 2.122 120.708 118.700 -0.189 0.000 2.453 80 N HA 0.158 4.899 4.740 0.001 0.000 0.183 80 N C 1.770 177.219 175.510 -0.101 0.000 1.041 80 N CA 1.009 54.018 53.050 -0.070 0.000 0.900 80 N CB -0.444 38.017 38.487 -0.044 0.000 0.961 80 N HN 0.675 nan 8.380 nan 0.000 0.443 81 A N -0.034 122.638 122.820 -0.246 0.000 2.238 81 A HA 0.119 4.440 4.320 0.001 0.000 0.208 81 A C 2.091 179.412 177.584 -0.439 0.000 1.177 81 A CA 0.097 51.969 52.037 -0.274 0.000 0.804 81 A CB -0.098 18.785 19.000 -0.196 0.000 0.823 81 A HN 0.051 nan 8.150 nan 0.000 0.482 82 V N -0.391 119.247 119.914 -0.459 0.000 2.548 82 V HA -0.170 3.950 4.120 0.001 0.000 0.249 82 V C 2.692 178.624 176.094 -0.271 0.000 1.055 82 V CA 2.452 64.486 62.300 -0.443 0.000 1.065 82 V CB -0.778 30.796 31.823 -0.414 0.000 0.681 82 V HN 0.609 nan 8.190 nan 0.000 0.462 83 T N 0.427 114.874 114.554 -0.178 0.000 2.708 83 T HA -0.098 4.253 4.350 0.001 0.000 0.266 83 T C -0.107 174.574 174.700 -0.031 0.000 1.037 83 T CA 1.756 63.821 62.100 -0.059 0.000 1.146 83 T CB -1.267 67.618 68.868 0.029 0.000 0.865 83 T HN 0.423 nan 8.240 nan 0.000 0.435 84 P HA -0.064 nan 4.420 nan 0.000 0.216 84 P C 1.495 178.776 177.300 -0.031 0.000 1.157 84 P CA 1.113 64.102 63.100 -0.185 0.000 0.880 84 P CB -0.264 31.280 31.700 -0.260 0.000 0.791 85 I N -0.791 119.541 120.570 -0.398 0.000 2.179 85 I HA -0.261 3.909 4.170 0.001 0.000 0.242 85 I C 2.392 178.482 176.117 -0.047 0.000 1.088 85 I CA 1.746 62.768 61.300 -0.463 0.000 1.357 85 I CB -0.891 36.675 38.000 -0.723 0.000 1.051 85 I HN -0.089 nan 8.210 nan 0.000 0.409 86 A N 0.404 123.204 122.820 -0.033 0.000 1.929 86 A HA -0.203 4.118 4.320 0.001 0.000 0.216 86 A C 2.197 179.897 177.584 0.193 0.000 1.176 86 A CA 1.628 53.724 52.037 0.099 0.000 0.628 86 A CB -0.828 18.194 19.000 0.036 0.000 0.816 86 A HN 0.489 nan 8.150 nan 0.000 0.444 87 N N 0.485 119.273 118.700 0.146 0.000 2.025 87 N HA -0.190 4.550 4.740 0.001 0.000 0.194 87 N C 2.021 177.627 175.510 0.159 0.000 1.044 87 N CA 1.689 54.829 53.050 0.149 0.000 0.851 87 N CB -0.251 38.341 38.487 0.175 0.000 1.036 87 N HN 0.353 nan 8.380 nan 0.000 0.422 88 A N 1.744 124.688 122.820 0.206 0.000 1.948 88 A HA -0.212 4.108 4.320 0.001 0.000 0.220 88 A C 2.078 179.798 177.584 0.226 0.000 1.177 88 A CA 1.467 53.633 52.037 0.215 0.000 0.636 88 A CB -1.487 17.710 19.000 0.327 0.000 0.815 88 A HN 0.783 nan 8.150 nan 0.000 0.449 89 W N 0.551 121.895 121.300 0.074 0.000 2.333 89 W HA -0.197 4.463 4.660 0.000 0.000 0.316 89 W C 1.621 178.173 176.519 0.055 0.000 1.215 89 W CA 1.825 59.209 57.345 0.064 0.000 1.278 89 W CB -0.341 29.148 29.460 0.049 0.000 1.154 89 W HN 0.318 nan 8.180 nan 0.000 0.486 90 L N 0.505 121.746 121.223 0.028 0.000 2.156 90 L HA -0.180 4.161 4.340 0.001 0.000 0.208 90 L C 1.727 178.487 176.870 -0.184 0.000 1.095 90 L CA 1.269 56.047 54.840 -0.103 0.000 0.770 90 L CB -0.852 41.255 42.059 0.080 0.000 0.914 90 L HN -0.176 nan 8.230 nan 0.000 0.439 91 D N 0.244 120.572 120.400 -0.119 0.000 2.349 91 D HA 0.009 4.650 4.640 0.001 0.000 0.215 91 D C 0.242 176.460 176.300 -0.137 0.000 1.016 91 D CA 0.120 54.024 54.000 -0.160 0.000 0.870 91 D CB 0.109 40.853 40.800 -0.093 0.000 0.917 91 D HN 0.092 nan 8.370 nan 0.000 0.524 92 R N -0.011 120.417 120.500 -0.120 0.000 3.209 92 R HA -0.109 4.232 4.340 0.001 0.000 0.252 92 R C -0.707 175.577 176.300 -0.026 0.000 0.958 92 R CA 0.451 56.496 56.100 -0.091 0.000 0.651 92 R CB -2.608 27.617 30.300 -0.125 0.000 1.142 92 R HN 0.044 nan 8.270 nan 0.000 0.441 93 T N 1.873 116.444 114.554 0.028 0.000 2.823 93 T HA 0.405 4.756 4.350 0.001 0.000 0.279 93 T C -2.301 172.444 174.700 0.075 0.000 0.998 93 T CA -1.511 60.610 62.100 0.035 0.000 0.994 93 T CB 2.069 70.962 68.868 0.041 0.000 0.960 93 T HN 0.051 nan 8.240 nan 0.000 0.448 94 P HA 0.366 nan 4.420 nan 0.000 0.280 94 P C -1.057 176.282 177.300 0.064 0.000 1.386 94 P CA -0.324 62.822 63.100 0.077 0.000 0.899 94 P CB 0.411 32.145 31.700 0.057 0.000 1.098 95 V N 5.472 125.433 119.914 0.079 0.000 2.588 95 V HA 0.269 4.389 4.120 0.001 0.000 0.304 95 V C 0.421 176.507 176.094 -0.013 0.000 1.042 95 V CA -0.934 61.333 62.300 -0.054 0.000 0.877 95 V CB 2.644 34.323 31.823 -0.240 0.000 0.996 95 V HN 0.460 nan 8.190 nan 0.000 0.425 96 L N 4.956 126.141 121.223 -0.063 0.000 2.283 96 L HA 0.473 4.813 4.340 0.001 0.000 0.287 96 L C -1.094 175.725 176.870 -0.086 0.000 1.073 96 L CA -0.155 54.694 54.840 0.015 0.000 0.822 96 L CB 0.404 42.480 42.059 0.028 0.000 1.186 96 L HN 0.545 nan 8.230 nan 0.000 0.436 97 F N 5.537 125.526 119.950 0.065 0.000 2.390 97 F HA 0.321 4.848 4.527 0.001 0.000 0.361 97 F C 0.205 176.034 175.800 0.048 0.000 1.124 97 F CA -0.278 57.756 58.000 0.057 0.000 1.149 97 F CB 0.869 39.907 39.000 0.063 0.000 1.160 97 F HN 0.256 nan 8.300 nan 0.000 0.501 98 L N 3.472 124.788 121.223 0.155 0.000 2.275 98 L HA 0.472 4.813 4.340 0.001 0.000 0.288 98 L C 0.278 177.222 176.870 0.123 0.000 1.046 98 L CA -0.307 54.597 54.840 0.107 0.000 0.805 98 L CB 1.555 43.647 42.059 0.056 0.000 1.193 98 L HN 0.492 nan 8.230 nan 0.000 0.426 99 T N 2.152 116.761 114.554 0.092 0.000 2.861 99 T HA 0.613 4.964 4.350 0.001 0.000 0.287 99 T C 0.108 174.811 174.700 0.006 0.000 1.003 99 T CA -0.405 61.741 62.100 0.076 0.000 0.977 99 T CB 1.461 70.399 68.868 0.115 0.000 0.996 99 T HN 0.697 nan 8.240 nan 0.000 0.448 100 G N 2.190 110.981 108.800 -0.015 0.000 2.599 100 G HA2 0.584 4.544 3.960 0.001 0.000 0.264 100 G HA3 0.584 4.544 3.960 0.001 0.000 0.264 100 G C -0.341 174.493 174.900 -0.110 0.000 1.200 100 G CA 0.001 45.070 45.100 -0.052 0.000 0.896 100 G HN 1.265 nan 8.290 nan 0.000 0.536 101 S N -1.558 114.093 115.700 -0.081 0.000 2.636 101 S HA 0.652 5.123 4.470 0.001 0.000 0.268 101 S C -0.022 174.603 174.600 0.041 0.000 1.159 101 S CA -0.245 57.894 58.200 -0.102 0.000 0.815 101 S CB 0.909 64.040 63.200 -0.116 0.000 1.130 101 S HN 1.523 nan 8.310 nan 0.000 0.471 102 G N 0.578 109.394 108.800 0.027 0.000 2.305 102 G HA2 0.495 4.455 3.960 0.001 0.000 0.243 102 G HA3 0.495 4.455 3.960 0.001 0.000 0.243 102 G C 0.585 175.593 174.900 0.181 0.000 1.288 102 G CA -0.084 45.107 45.100 0.152 0.000 0.901 102 G HN 1.466 nan 8.290 nan 0.000 0.516 103 A N 2.399 125.384 122.820 0.276 0.000 2.587 103 A HA 0.104 4.424 4.320 0.001 0.000 0.233 103 A C 1.686 179.314 177.584 0.073 0.000 1.049 103 A CA -0.072 52.063 52.037 0.164 0.000 0.754 103 A CB 0.130 19.189 19.000 0.098 0.000 0.977 103 A HN 0.782 nan 8.150 nan 0.000 0.509 104 L N 1.525 122.769 121.223 0.035 0.000 2.012 104 L HA -0.149 4.192 4.340 0.001 0.000 0.210 104 L C 1.762 178.631 176.870 -0.002 0.000 1.073 104 L CA 1.703 56.546 54.840 0.005 0.000 0.748 104 L CB -0.640 41.414 42.059 -0.009 0.000 0.891 104 L HN 0.928 nan 8.230 nan 0.000 0.431 105 R N 0.997 121.491 120.500 -0.010 0.000 2.679 105 R HA -0.005 4.336 4.340 0.001 0.000 0.268 105 R C 0.612 176.909 176.300 -0.005 0.000 1.044 105 R CA 0.474 56.564 56.100 -0.017 0.000 1.105 105 R CB -0.078 30.200 30.300 -0.037 0.000 0.989 105 R HN 0.344 nan 8.270 nan 0.000 0.447 106 D N -1.670 118.727 120.400 -0.005 0.000 3.046 106 D HA -0.261 4.379 4.640 0.001 0.000 0.210 106 D C -0.640 175.672 176.300 0.020 0.000 1.124 106 D CA 1.646 55.651 54.000 0.009 0.000 0.986 106 D CB -1.768 39.040 40.800 0.013 0.000 1.118 106 D HN 0.840 nan 8.370 nan 0.000 0.416 107 D N 0.772 121.178 120.400 0.011 0.000 2.548 107 D HA 0.101 4.741 4.640 0.001 0.000 0.231 107 D C 0.610 176.910 176.300 0.001 0.000 1.142 107 D CA 1.410 55.411 54.000 0.003 0.000 0.866 107 D CB 0.404 41.200 40.800 -0.007 0.000 1.190 107 D HN 0.242 nan 8.370 nan 0.000 0.469 108 E N 1.357 121.557 120.200 -0.001 0.000 2.539 108 E HA -0.218 4.132 4.350 0.001 0.000 0.253 108 E C 0.532 177.134 176.600 0.003 0.000 1.145 108 E CA 1.215 57.614 56.400 -0.002 0.000 0.738 108 E CB -2.180 27.517 29.700 -0.005 0.000 1.308 108 E HN 0.663 nan 8.360 nan 0.000 0.409 109 T N -3.167 111.393 114.554 0.010 0.000 3.145 109 T HA 0.104 4.455 4.350 0.001 0.000 0.255 109 T C 0.639 175.348 174.700 0.015 0.000 1.039 109 T CA 0.080 62.187 62.100 0.012 0.000 0.928 109 T CB 0.116 68.994 68.868 0.017 0.000 1.029 109 T HN 0.100 nan 8.240 nan 0.000 0.554 110 N N 1.472 120.180 118.700 0.013 0.000 2.716 110 N HA -0.133 4.607 4.740 0.001 0.000 0.250 110 N C -0.119 175.405 175.510 0.024 0.000 1.033 110 N CA 1.156 54.215 53.050 0.014 0.000 0.727 110 N CB -1.653 36.840 38.487 0.010 0.000 0.950 110 N HN 0.598 nan 8.380 nan 0.000 0.541 111 T N 0.013 114.588 114.554 0.036 0.000 2.902 111 T HA 0.393 4.743 4.350 0.001 0.000 0.280 111 T C 0.444 175.181 174.700 0.061 0.000 0.992 111 T CA -0.749 61.385 62.100 0.057 0.000 1.015 111 T CB 0.809 69.726 68.868 0.082 0.000 1.044 111 T HN 0.197 nan 8.240 nan 0.000 0.520 112 L N 3.806 125.076 121.223 0.079 0.000 2.706 112 L HA 0.015 4.355 4.340 0.001 0.000 0.282 112 L C 1.157 178.061 176.870 0.057 0.000 1.219 112 L CA 1.299 56.182 54.840 0.072 0.000 0.935 112 L CB -0.768 41.356 42.059 0.108 0.000 1.204 112 L HN 0.960 nan 8.230 nan 0.000 0.491 113 Q N 1.232 121.024 119.800 -0.014 0.000 2.393 113 Q HA -0.282 4.058 4.340 0.001 0.000 0.235 113 Q C 0.221 176.168 176.000 -0.089 0.000 0.823 113 Q CA 1.148 56.893 55.803 -0.098 0.000 1.284 113 Q CB -1.660 26.924 28.738 -0.257 0.000 1.669 113 Q HN 0.886 nan 8.270 nan 0.000 0.597 114 A N -0.604 122.205 122.820 -0.018 0.000 2.263 114 A HA 0.762 5.083 4.320 0.001 0.000 0.318 114 A C 1.168 178.738 177.584 -0.023 0.000 1.111 114 A CA 0.331 52.359 52.037 -0.014 0.000 0.901 114 A CB 0.822 19.843 19.000 0.034 0.000 1.280 114 A HN 0.911 nan 8.150 nan 0.000 0.503 115 G N -1.668 107.115 108.800 -0.029 0.000 2.171 115 G HA2 -0.036 3.924 3.960 0.001 0.000 0.238 115 G HA3 -0.036 3.924 3.960 0.001 0.000 0.238 115 G C -0.359 174.520 174.900 -0.035 0.000 1.039 115 G CA 0.561 45.645 45.100 -0.027 0.000 0.759 115 G HN 1.613 nan 8.290 nan 0.000 0.501 116 I N 0.189 120.726 120.570 -0.056 0.000 2.529 116 I HA 0.431 4.602 4.170 0.001 0.000 0.284 116 I C -0.989 175.059 176.117 -0.115 0.000 1.088 116 I CA -1.094 60.171 61.300 -0.058 0.000 1.062 116 I CB 1.664 39.642 38.000 -0.037 0.000 1.218 116 I HN 0.016 nan 8.210 nan 0.000 0.442 117 D N 6.404 126.739 120.400 -0.108 0.000 2.483 117 D HA 0.147 4.787 4.640 0.001 0.000 0.220 117 D C 0.802 176.962 176.300 -0.234 0.000 1.173 117 D CA 0.202 54.109 54.000 -0.154 0.000 0.964 117 D CB 0.829 41.565 40.800 -0.107 0.000 1.046 117 D HN 0.634 nan 8.370 nan 0.000 0.517 118 Q N 1.211 120.752 119.800 -0.433 0.000 2.119 118 Q HA -0.094 4.247 4.340 0.001 0.000 0.201 118 Q C 2.021 177.627 176.000 -0.656 0.000 0.972 118 Q CA 0.943 56.184 55.803 -0.936 0.000 0.847 118 Q CB 0.318 28.145 28.738 -1.519 0.000 0.903 118 Q HN 0.353 nan 8.270 nan 0.000 0.433 119 V N 1.174 120.834 119.914 -0.425 0.000 2.295 119 V HA -0.288 3.833 4.120 0.001 0.000 0.246 119 V C 2.311 178.296 176.094 -0.182 0.000 1.049 119 V CA 1.883 64.012 62.300 -0.285 0.000 1.024 119 V CB -1.006 30.663 31.823 -0.258 0.000 0.648 119 V HN 0.419 nan 8.190 nan 0.000 0.447 120 A N -0.822 121.908 122.820 -0.150 0.000 1.978 120 A HA -0.228 4.092 4.320 0.001 0.000 0.220 120 A C 2.214 179.760 177.584 -0.065 0.000 1.170 120 A CA 2.192 54.174 52.037 -0.093 0.000 0.636 120 A CB -0.480 18.474 19.000 -0.075 0.000 0.810 120 A HN 0.529 nan 8.150 nan 0.000 0.448 121 M N -1.131 118.446 119.600 -0.037 0.000 2.288 121 M HA -0.008 4.473 4.480 0.001 0.000 0.266 121 M C 2.305 178.627 176.300 0.038 0.000 1.072 121 M CA 1.152 56.476 55.300 0.040 0.000 1.132 121 M CB -0.111 32.598 32.600 0.180 0.000 1.386 121 M HN 0.455 nan 8.290 nan 0.000 0.432 122 A N -0.032 122.816 122.820 0.046 0.000 2.081 122 A HA 0.270 4.590 4.320 0.001 0.000 0.214 122 A C 2.286 179.785 177.584 -0.142 0.000 1.158 122 A CA 1.022 53.049 52.037 -0.016 0.000 0.724 122 A CB -0.531 18.497 19.000 0.048 0.000 0.826 122 A HN 0.413 nan 8.150 nan 0.000 0.463 123 A N 1.126 123.870 122.820 -0.127 0.000 1.917 123 A HA -0.091 4.229 4.320 0.001 0.000 0.219 123 A C 0.100 177.555 177.584 -0.215 0.000 1.182 123 A CA 1.971 53.923 52.037 -0.142 0.000 0.633 123 A CB -1.705 17.241 19.000 -0.089 0.000 0.819 123 A HN 0.453 nan 8.150 nan 0.000 0.448 124 P HA -0.008 nan 4.420 nan 0.000 0.230 124 P C 0.646 177.606 177.300 -0.567 0.000 1.158 124 P CA 0.833 63.775 63.100 -0.262 0.000 0.769 124 P CB -0.064 31.543 31.700 -0.155 0.000 0.807 125 I N -4.821 115.327 120.570 -0.703 0.000 3.426 125 I HA 0.374 4.545 4.170 0.001 0.000 0.329 125 I C -0.629 174.846 176.117 -1.071 0.000 1.553 125 I CA -0.555 60.039 61.300 -1.177 0.000 1.019 125 I CB 0.282 37.953 38.000 -0.548 0.000 1.376 125 I HN -0.247 nan 8.210 nan 0.000 0.525 126 T N -3.345 110.618 114.554 -0.985 0.000 2.843 126 T HA 0.443 4.793 4.350 0.001 0.000 0.302 126 T C 0.259 174.894 174.700 -0.109 0.000 1.232 126 T CA -0.829 61.094 62.100 -0.294 0.000 1.009 126 T CB 2.540 71.352 68.868 -0.093 0.000 1.254 126 T HN 0.114 nan 8.240 nan 0.000 0.504 127 K N -0.791 119.817 120.400 0.347 0.000 2.305 127 K HA 0.160 4.481 4.320 0.001 0.000 0.199 127 K C -0.478 176.358 176.600 0.393 0.000 1.047 127 K CA 0.416 56.959 56.287 0.427 0.000 0.976 127 K CB 0.229 32.968 32.500 0.398 0.000 0.765 127 K HN 0.598 nan 8.250 nan 0.000 0.474 128 W N -0.037 121.314 121.300 0.086 0.000 4.020 128 W HA 0.408 5.068 4.660 0.000 0.000 0.293 128 W C -2.195 174.362 176.519 0.063 0.000 1.236 128 W CA -0.958 56.424 57.345 0.062 0.000 1.265 128 W CB 0.956 30.455 29.460 0.065 0.000 1.248 128 W HN -0.171 nan 8.180 nan 0.000 0.501 129 A N 4.474 127.094 122.820 -0.332 0.000 2.343 129 A HA 0.766 5.086 4.320 0.001 0.000 0.308 129 A C -1.978 175.280 177.584 -0.545 0.000 1.092 129 A CA -0.411 51.386 52.037 -0.400 0.000 0.751 129 A CB 1.435 20.314 19.000 -0.202 0.000 1.203 129 A HN 0.852 nan 8.150 nan 0.000 0.452 130 H N 0.486 119.127 119.070 -0.715 0.000 3.064 130 H HA 0.625 5.182 4.556 0.000 0.000 0.352 130 H C -0.925 174.177 175.328 -0.377 0.000 1.260 130 H CA -0.444 55.240 56.048 -0.606 0.000 1.160 130 H CB 1.313 30.468 29.762 -1.011 0.000 1.879 130 H HN 0.743 nan 8.280 nan 0.000 0.544 131 R N 3.537 123.535 120.500 -0.838 0.000 2.338 131 R HA 0.526 4.866 4.340 0.001 0.000 0.317 131 R C -1.139 174.930 176.300 -0.385 0.000 0.968 131 R CA -0.811 54.997 56.100 -0.487 0.000 0.849 131 R CB 1.007 31.078 30.300 -0.381 0.000 1.128 131 R HN 0.399 nan 8.270 nan 0.000 0.448 132 V N 6.362 126.208 119.914 -0.113 0.000 2.555 132 V HA 0.042 4.162 4.120 0.001 0.000 0.286 132 V C 1.032 177.136 176.094 0.017 0.000 1.044 132 V CA 0.043 62.365 62.300 0.038 0.000 1.026 132 V CB 1.413 33.285 31.823 0.083 0.000 0.981 132 V HN 0.874 nan 8.190 nan 0.000 0.480 133 M N 3.243 122.889 119.600 0.077 0.000 2.337 133 M HA 0.414 4.895 4.480 0.001 0.000 0.256 133 M C 0.439 176.708 176.300 -0.051 0.000 1.075 133 M CA 0.356 55.670 55.300 0.024 0.000 1.024 133 M CB 0.394 33.037 32.600 0.073 0.000 1.429 133 M HN 0.735 nan 8.290 nan 0.000 0.497 134 A N -0.386 122.369 122.820 -0.108 0.000 2.513 134 A HA 0.543 4.864 4.320 0.001 0.000 0.296 134 A C 0.741 178.229 177.584 -0.159 0.000 1.052 134 A CA -0.451 51.422 52.037 -0.273 0.000 0.714 134 A CB 0.561 19.101 19.000 -0.766 0.000 1.279 134 A HN 0.152 nan 8.150 nan 0.000 0.397 135 T N 1.115 115.614 114.554 -0.091 0.000 2.699 135 T HA -0.156 4.194 4.350 0.001 0.000 0.268 135 T C 1.515 176.215 174.700 -0.000 0.000 1.036 135 T CA 2.489 64.576 62.100 -0.022 0.000 1.147 135 T CB -0.188 68.670 68.868 -0.017 0.000 0.862 135 T HN 0.786 nan 8.240 nan 0.000 0.446 136 E N 0.736 120.913 120.200 -0.037 0.000 2.219 136 E HA -0.132 4.219 4.350 0.001 0.000 0.198 136 E C 1.684 178.380 176.600 0.160 0.000 0.998 136 E CA 1.121 57.541 56.400 0.034 0.000 0.818 136 E CB -0.531 29.181 29.700 0.020 0.000 0.741 136 E HN 0.715 nan 8.360 nan 0.000 0.477 137 H N -0.836 118.263 119.070 0.050 0.000 2.551 137 H HA 0.161 4.717 4.556 0.001 0.000 0.266 137 H C 1.630 177.000 175.328 0.071 0.000 0.977 137 H CA -0.170 55.917 56.048 0.064 0.000 1.163 137 H CB 0.131 29.943 29.762 0.084 0.000 1.381 137 H HN 0.121 nan 8.280 nan 0.000 0.581 138 I N 1.168 121.842 120.570 0.173 0.000 2.179 138 I HA -0.177 3.994 4.170 0.001 0.000 0.242 138 I C -0.664 175.517 176.117 0.107 0.000 1.088 138 I CA 1.002 62.378 61.300 0.127 0.000 1.357 138 I CB -0.836 37.215 38.000 0.086 0.000 1.051 138 I HN 0.192 nan 8.210 nan 0.000 0.409 139 P HA -0.182 nan 4.420 nan 0.000 0.216 139 P C 1.266 178.607 177.300 0.068 0.000 1.153 139 P CA 1.476 64.615 63.100 0.065 0.000 0.848 139 P CB -0.197 31.532 31.700 0.049 0.000 0.787 140 R N -0.133 120.409 120.500 0.070 0.000 2.115 140 R HA -0.020 4.320 4.340 0.001 0.000 0.230 140 R C 2.049 178.393 176.300 0.074 0.000 1.111 140 R CA 1.290 57.419 56.100 0.048 0.000 0.976 140 R CB -1.525 28.786 30.300 0.018 0.000 0.870 140 R HN 0.183 nan 8.270 nan 0.000 0.445 141 L N 0.947 122.242 121.223 0.119 0.000 2.109 141 L HA -0.060 4.281 4.340 0.001 0.000 0.207 141 L C 2.475 179.472 176.870 0.212 0.000 1.086 141 L CA 0.539 55.499 54.840 0.200 0.000 0.760 141 L CB -0.209 41.990 42.059 0.233 0.000 0.910 141 L HN 0.035 nan 8.230 nan 0.000 0.437 142 V N -0.473 119.527 119.914 0.144 0.000 2.295 142 V HA -0.327 3.793 4.120 0.001 0.000 0.246 142 V C 2.452 178.618 176.094 0.120 0.000 1.049 142 V CA 1.879 64.254 62.300 0.125 0.000 1.024 142 V CB -0.320 31.551 31.823 0.079 0.000 0.648 142 V HN 0.365 nan 8.190 nan 0.000 0.447 143 M N -0.296 119.357 119.600 0.088 0.000 2.175 143 M HA -0.168 4.312 4.480 0.001 0.000 0.264 143 M C 2.211 178.547 176.300 0.061 0.000 1.063 143 M CA 1.781 57.118 55.300 0.061 0.000 1.119 143 M CB -0.603 32.019 32.600 0.036 0.000 1.377 143 M HN 0.424 nan 8.290 nan 0.000 0.415 144 Q N -0.661 119.180 119.800 0.069 0.000 2.124 144 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 144 Q C 1.817 177.867 176.000 0.084 0.000 0.977 144 Q CA 1.776 57.583 55.803 0.007 0.000 0.850 144 Q CB -0.175 28.520 28.738 -0.070 0.000 0.901 144 Q HN 0.566 nan 8.270 nan 0.000 0.429 145 A N 0.789 123.790 122.820 0.301 0.000 1.898 145 A HA -0.134 4.186 4.320 0.001 0.000 0.216 145 A C 2.002 179.730 177.584 0.240 0.000 1.181 145 A CA 1.213 53.510 52.037 0.433 0.000 0.620 145 A CB -0.603 18.630 19.000 0.388 0.000 0.819 145 A HN 0.479 nan 8.150 nan 0.000 0.442 146 I N -0.673 119.990 120.570 0.155 0.000 2.163 146 I HA -0.310 3.861 4.170 0.001 0.000 0.243 146 I C 2.804 178.967 176.117 0.076 0.000 1.085 146 I CA 1.531 62.892 61.300 0.102 0.000 1.347 146 I CB -0.309 37.735 38.000 0.073 0.000 1.044 146 I HN 0.298 nan 8.210 nan 0.000 0.408 147 R N 0.528 121.057 120.500 0.048 0.000 2.091 147 R HA -0.181 4.159 4.340 0.001 0.000 0.238 147 R C 2.401 178.713 176.300 0.019 0.000 1.136 147 R CA 1.592 57.702 56.100 0.016 0.000 0.959 147 R CB -0.574 29.713 30.300 -0.020 0.000 0.856 147 R HN 0.398 nan 8.270 nan 0.000 0.437 148 A N 1.110 123.947 122.820 0.028 0.000 1.933 148 A HA -0.099 4.222 4.320 0.001 0.000 0.218 148 A C 2.330 179.981 177.584 0.111 0.000 1.175 148 A CA 1.684 53.752 52.037 0.052 0.000 0.628 148 A CB -0.464 18.583 19.000 0.077 0.000 0.814 148 A HN 0.415 nan 8.150 nan 0.000 0.444 149 A N -0.502 122.398 122.820 0.133 0.000 1.897 149 A HA 0.111 4.431 4.320 0.001 0.000 0.215 149 A C 2.070 179.706 177.584 0.088 0.000 1.181 149 A CA 1.254 53.372 52.037 0.135 0.000 0.620 149 A CB -0.460 18.625 19.000 0.141 0.000 0.821 149 A HN 0.437 nan 8.150 nan 0.000 0.443 150 L N 0.690 121.950 121.223 0.063 0.000 2.313 150 L HA -0.005 4.335 4.340 0.001 0.000 0.214 150 L C 1.229 178.113 176.870 0.024 0.000 1.119 150 L CA 0.462 55.325 54.840 0.038 0.000 0.809 150 L CB -0.272 41.804 42.059 0.028 0.000 0.933 150 L HN 0.471 nan 8.230 nan 0.000 0.449 151 S N -0.115 115.600 115.700 0.025 0.000 2.632 151 S HA 0.620 5.090 4.470 0.001 0.000 0.271 151 S C 0.125 174.732 174.600 0.011 0.000 1.260 151 S CA -0.829 57.377 58.200 0.011 0.000 1.010 151 S CB 1.768 64.971 63.200 0.004 0.000 0.965 151 S HN 0.108 nan 8.310 nan 0.000 0.534 152 A N 2.695 125.516 122.820 0.001 0.000 2.477 152 A HA 0.535 4.855 4.320 0.001 0.000 0.246 152 A C -2.026 175.555 177.584 -0.004 0.000 1.078 152 A CA -1.329 50.704 52.037 -0.006 0.000 0.770 152 A CB -0.730 18.263 19.000 -0.012 0.000 1.011 152 A HN 0.737 nan 8.150 nan 0.000 0.494 153 P HA 0.308 nan 4.420 nan 0.000 0.280 153 P C -0.446 176.849 177.300 -0.009 0.000 1.244 153 P CA -0.466 62.617 63.100 -0.029 0.000 0.784 153 P CB 0.671 32.334 31.700 -0.062 0.000 0.913 154 R N 1.116 121.611 120.500 -0.008 0.000 2.756 154 R HA 0.559 4.899 4.340 0.001 0.000 0.264 154 R C 1.039 177.363 176.300 0.039 0.000 1.026 154 R CA 1.093 57.205 56.100 0.022 0.000 1.121 154 R CB -0.310 29.996 30.300 0.010 0.000 0.999 154 R HN 0.849 nan 8.270 nan 0.000 0.449 155 G N 1.598 110.463 108.800 0.108 0.000 2.506 155 G HA2 0.404 4.365 3.960 0.001 0.000 0.292 155 G HA3 0.404 4.365 3.960 0.001 0.000 0.292 155 G C -3.025 172.034 174.900 0.265 0.000 1.425 155 G CA -1.064 44.148 45.100 0.186 0.000 0.788 155 G HN 0.412 nan 8.290 nan 0.000 0.490 156 P HA 0.508 nan 4.420 nan 0.000 0.275 156 P C -0.625 176.889 177.300 0.357 0.000 1.228 156 P CA -0.306 63.036 63.100 0.404 0.000 0.786 156 P CB 1.884 33.852 31.700 0.446 0.000 0.927 157 V N 3.548 123.673 119.914 0.352 0.000 2.876 157 V HA 0.414 4.534 4.120 0.001 0.000 0.312 157 V C -0.239 176.006 176.094 0.251 0.000 1.085 157 V CA -0.786 61.685 62.300 0.285 0.000 0.945 157 V CB 2.197 34.208 31.823 0.314 0.000 1.017 157 V HN 0.393 nan 8.190 nan 0.000 0.428 158 L N 4.729 126.011 121.223 0.100 0.000 2.342 158 L HA 0.676 5.017 4.340 0.001 0.000 0.276 158 L C -1.247 175.571 176.870 -0.088 0.000 0.997 158 L CA -0.255 54.620 54.840 0.057 0.000 0.838 158 L CB 1.323 43.388 42.059 0.010 0.000 1.224 158 L HN 0.610 nan 8.230 nan 0.000 0.416 159 L N 5.238 126.447 121.223 -0.024 0.000 2.276 159 L HA 0.488 4.828 4.340 0.001 0.000 0.286 159 L C -0.667 176.169 176.870 -0.057 0.000 1.024 159 L CA 0.074 54.870 54.840 -0.073 0.000 0.826 159 L CB 0.998 43.058 42.059 0.003 0.000 1.211 159 L HN 0.607 nan 8.230 nan 0.000 0.422 160 D N 5.658 125.984 120.400 -0.123 0.000 2.274 160 D HA 0.273 4.913 4.640 0.001 0.000 0.239 160 D C -1.105 175.146 176.300 -0.081 0.000 1.104 160 D CA -0.231 53.692 54.000 -0.129 0.000 0.840 160 D CB 1.057 41.723 40.800 -0.223 0.000 1.100 160 D HN 0.469 nan 8.370 nan 0.000 0.477 161 L N 5.825 127.027 121.223 -0.035 0.000 2.337 161 L HA 0.349 4.689 4.340 0.001 0.000 0.269 161 L C -2.254 174.644 176.870 0.046 0.000 1.018 161 L CA -1.837 53.011 54.840 0.012 0.000 0.876 161 L CB 1.753 43.836 42.059 0.040 0.000 1.236 161 L HN 0.164 nan 8.230 nan 0.000 0.436 162 P HA -0.098 nan 4.420 nan 0.000 0.267 162 P C -0.017 177.411 177.300 0.214 0.000 1.200 162 P CA -0.124 63.039 63.100 0.104 0.000 0.772 162 P CB 0.651 32.385 31.700 0.057 0.000 0.855 163 W N 3.353 124.684 121.300 0.051 0.000 2.354 163 W HA -0.183 4.477 4.660 0.001 0.000 0.315 163 W C 1.615 178.130 176.519 -0.006 0.000 1.206 163 W CA 1.636 59.002 57.345 0.036 0.000 1.290 163 W CB -1.220 28.260 29.460 0.033 0.000 1.152 163 W HN 0.419 nan 8.180 nan 0.000 0.489 164 D N 0.072 120.521 120.400 0.081 0.000 2.569 164 D HA -0.277 4.363 4.640 0.001 0.000 0.191 164 D C 2.010 178.309 176.300 -0.002 0.000 1.042 164 D CA 2.735 56.715 54.000 -0.034 0.000 0.873 164 D CB -0.506 40.303 40.800 0.015 0.000 0.946 164 D HN 0.041 nan 8.370 nan 0.000 0.467 165 I N 0.124 120.722 120.570 0.048 0.000 2.333 165 I HA -0.114 4.056 4.170 0.001 0.000 0.246 165 I C 2.530 178.680 176.117 0.054 0.000 1.106 165 I CA 0.495 61.815 61.300 0.033 0.000 1.411 165 I CB -0.963 37.058 38.000 0.034 0.000 1.082 165 I HN 0.129 nan 8.210 nan 0.000 0.420 166 L N -0.696 120.589 121.223 0.104 0.000 2.131 166 L HA -0.178 4.162 4.340 0.001 0.000 0.210 166 L C 2.506 179.437 176.870 0.102 0.000 1.092 166 L CA 1.285 56.199 54.840 0.123 0.000 0.759 166 L CB -0.324 41.851 42.059 0.193 0.000 0.903 166 L HN 0.213 nan 8.230 nan 0.000 0.435 167 M N -1.107 118.533 119.600 0.066 0.000 2.435 167 M HA -0.019 4.461 4.480 0.001 0.000 0.265 167 M C 0.667 176.951 176.300 -0.025 0.000 1.104 167 M CA -0.005 55.295 55.300 0.000 0.000 1.140 167 M CB -0.022 32.497 32.600 -0.136 0.000 1.372 167 M HN 0.162 nan 8.290 nan 0.000 0.456 168 N N 2.182 120.866 118.700 -0.027 0.000 2.407 168 N HA -0.046 4.695 4.740 0.001 0.000 0.250 168 N C -0.953 174.552 175.510 -0.009 0.000 1.236 168 N CA 0.884 53.917 53.050 -0.028 0.000 0.879 168 N CB 0.530 38.998 38.487 -0.030 0.000 1.088 168 N HN 0.190 nan 8.380 nan 0.000 0.450 169 Q N 1.795 121.588 119.800 -0.013 0.000 2.316 169 Q HA 0.565 4.906 4.340 0.001 0.000 0.264 169 Q C -0.481 175.517 176.000 -0.003 0.000 0.987 169 Q CA -0.739 55.063 55.803 -0.002 0.000 0.852 169 Q CB 1.554 30.291 28.738 -0.002 0.000 1.287 169 Q HN 0.663 nan 8.270 nan 0.000 0.448 170 I N -2.446 118.126 120.570 0.005 0.000 3.002 170 I HA 0.505 4.675 4.170 0.001 0.000 0.310 170 I C -0.404 175.719 176.117 0.009 0.000 1.087 170 I CA -1.333 59.970 61.300 0.004 0.000 1.017 170 I CB 1.665 39.668 38.000 0.004 0.000 1.226 170 I HN 0.365 nan 8.210 nan 0.000 0.443 171 D N 3.156 123.561 120.400 0.008 0.000 2.455 171 D HA -0.112 4.528 4.640 0.001 0.000 0.265 171 D C 1.034 177.343 176.300 0.015 0.000 1.284 171 D CA 0.596 54.603 54.000 0.011 0.000 0.944 171 D CB 0.675 41.480 40.800 0.009 0.000 1.121 171 D HN 0.796 nan 8.370 nan 0.000 0.525 172 E N 2.828 123.039 120.200 0.018 0.000 2.338 172 E HA -0.190 4.160 4.350 0.001 0.000 0.197 172 E C 0.218 176.830 176.600 0.021 0.000 1.007 172 E CA 0.628 57.041 56.400 0.022 0.000 0.849 172 E CB 0.219 29.934 29.700 0.026 0.000 0.774 172 E HN 0.404 nan 8.360 nan 0.000 0.506 173 D N 0.386 120.796 120.400 0.017 0.000 2.355 173 D HA -0.037 4.603 4.640 0.001 0.000 0.218 173 D C 1.326 177.635 176.300 0.017 0.000 1.004 173 D CA 0.853 54.863 54.000 0.016 0.000 0.880 173 D CB 0.414 41.222 40.800 0.014 0.000 0.911 173 D HN 0.222 nan 8.370 nan 0.000 0.528 174 S N -0.929 114.782 115.700 0.018 0.000 2.539 174 S HA 0.172 4.642 4.470 0.001 0.000 0.221 174 S C 0.530 175.143 174.600 0.023 0.000 0.987 174 S CA -0.529 57.682 58.200 0.019 0.000 0.929 174 S CB 0.794 64.004 63.200 0.017 0.000 0.832 174 S HN 0.017 nan 8.310 nan 0.000 0.492 175 V N 2.009 121.938 119.914 0.025 0.000 2.667 175 V HA 0.595 4.715 4.120 0.001 0.000 0.308 175 V C -1.383 174.728 176.094 0.027 0.000 1.048 175 V CA -1.365 60.953 62.300 0.030 0.000 0.928 175 V CB 1.694 33.537 31.823 0.034 0.000 1.004 175 V HN 0.423 nan 8.190 nan 0.000 0.444 176 I N 7.109 127.696 120.570 0.030 0.000 2.328 176 I HA 0.390 4.561 4.170 0.001 0.000 0.287 176 I C -0.358 175.773 176.117 0.024 0.000 1.012 176 I CA -0.412 60.903 61.300 0.025 0.000 1.195 176 I CB 1.249 39.263 38.000 0.024 0.000 1.350 176 I HN 0.334 nan 8.210 nan 0.000 0.464 177 I N 8.512 129.094 120.570 0.019 0.000 2.322 177 I HA 0.286 4.457 4.170 0.001 0.000 0.292 177 I C -1.927 174.198 176.117 0.013 0.000 1.060 177 I CA -2.132 59.177 61.300 0.016 0.000 1.309 177 I CB -0.226 37.779 38.000 0.007 0.000 1.415 177 I HN 0.278 nan 8.210 nan 0.000 0.492 178 P HA 0.284 nan 4.420 nan 0.000 0.277 178 P C -0.484 176.821 177.300 0.009 0.000 1.271 178 P CA -0.472 62.635 63.100 0.011 0.000 0.795 178 P CB 1.122 32.829 31.700 0.012 0.000 1.101 179 D N -0.155 120.249 120.400 0.007 0.000 2.312 179 D HA 0.179 4.819 4.640 0.001 0.000 0.248 179 D C -0.191 176.113 176.300 0.006 0.000 1.086 179 D CA -0.241 53.763 54.000 0.006 0.000 0.948 179 D CB 0.825 41.628 40.800 0.005 0.000 1.162 179 D HN 0.152 nan 8.370 nan 0.000 0.446 180 L N 2.213 123.440 121.223 0.007 0.000 2.433 180 L HA 0.129 4.470 4.340 0.001 0.000 0.284 180 L C -0.865 176.007 176.870 0.003 0.000 1.120 180 L CA 0.018 54.862 54.840 0.007 0.000 0.879 180 L CB 0.006 42.070 42.059 0.009 0.000 1.232 180 L HN 0.045 nan 8.230 nan 0.000 0.454 181 V N 7.098 127.013 119.914 0.001 0.000 2.289 181 V HA 0.453 4.574 4.120 0.001 0.000 0.272 181 V C -0.599 175.494 176.094 -0.001 0.000 1.026 181 V CA -0.470 61.831 62.300 0.001 0.000 0.807 181 V CB 1.045 32.868 31.823 0.000 0.000 1.044 181 V HN 0.617 nan 8.190 nan 0.000 0.443 182 L N 3.491 124.714 121.223 0.000 0.000 2.580 182 L HA 0.570 4.910 4.340 0.001 0.000 0.266 182 L C 0.073 176.945 176.870 0.003 0.000 0.955 182 L CA 0.301 55.140 54.840 -0.001 0.000 0.886 182 L CB 2.316 44.373 42.059 -0.004 0.000 1.263 182 L HN 0.385 nan 8.230 nan 0.000 0.406 183 S N 3.113 118.822 115.700 0.015 0.000 2.626 183 S HA 0.202 4.672 4.470 0.001 0.000 0.303 183 S C 1.426 176.024 174.600 -0.003 0.000 1.256 183 S CA 0.469 58.687 58.200 0.030 0.000 1.069 183 S CB 1.117 64.361 63.200 0.074 0.000 0.807 183 S HN 0.850 nan 8.310 nan 0.000 0.500 184 A N 4.243 127.025 122.820 -0.063 0.000 2.015 184 A HA -0.042 4.278 4.320 0.001 0.000 0.219 184 A C 0.749 178.253 177.584 -0.135 0.000 1.163 184 A CA 0.758 52.721 52.037 -0.123 0.000 0.646 184 A CB -0.391 18.497 19.000 -0.186 0.000 0.806 184 A HN 0.869 nan 8.150 nan 0.000 0.448 185 H N 0.718 119.781 119.070 -0.011 0.000 3.026 185 H HA 0.250 4.806 4.556 0.001 0.000 0.289 185 H C 1.182 176.501 175.328 -0.016 0.000 1.022 185 H CA 0.405 56.444 56.048 -0.014 0.000 1.477 185 H CB 0.208 29.962 29.762 -0.013 0.000 1.510 185 H HN 0.344 nan 8.280 nan 0.000 0.535 186 G N 1.748 110.597 108.800 0.081 0.000 2.583 186 G HA2 0.329 4.289 3.960 0.001 0.000 0.275 186 G HA3 0.329 4.289 3.960 0.001 0.000 0.275 186 G C -0.253 174.667 174.900 0.033 0.000 1.342 186 G CA -0.129 44.993 45.100 0.037 0.000 1.030 186 G HN 0.734 nan 8.290 nan 0.000 0.520 187 A N -0.321 122.506 122.820 0.011 0.000 2.309 187 A HA 0.639 4.960 4.320 0.001 0.000 0.298 187 A C 0.682 178.261 177.584 -0.008 0.000 1.165 187 A CA -0.618 51.420 52.037 0.002 0.000 0.821 187 A CB 0.452 19.450 19.000 -0.002 0.000 1.102 187 A HN 0.855 nan 8.150 nan 0.000 0.500 188 R N 2.174 122.667 120.500 -0.013 0.000 2.674 188 R HA 0.675 5.015 4.340 0.001 0.000 0.266 188 R C -2.816 173.471 176.300 -0.021 0.000 1.016 188 R CA -1.617 54.469 56.100 -0.023 0.000 1.062 188 R CB -0.145 30.138 30.300 -0.028 0.000 1.142 188 R HN 0.355 nan 8.270 nan 0.000 0.517 189 P HA -0.063 nan 4.420 nan 0.000 0.270 189 P C -0.800 176.492 177.300 -0.014 0.000 1.227 189 P CA -0.113 62.976 63.100 -0.019 0.000 0.788 189 P CB 0.382 32.067 31.700 -0.025 0.000 0.926 190 D N 1.548 121.944 120.400 -0.008 0.000 2.424 190 D HA 0.000 4.640 4.640 0.001 0.000 0.244 190 D C -1.453 174.846 176.300 -0.001 0.000 1.134 190 D CA -1.530 52.468 54.000 -0.004 0.000 0.881 190 D CB 0.715 41.514 40.800 -0.001 0.000 1.191 190 D HN 0.083 nan 8.370 nan 0.000 0.445 191 P HA -0.215 nan 4.420 nan 0.000 0.217 191 P C 0.991 178.298 177.300 0.012 0.000 1.158 191 P CA 2.084 65.188 63.100 0.006 0.000 0.887 191 P CB 0.057 31.761 31.700 0.006 0.000 0.792 192 A N -0.175 122.650 122.820 0.010 0.000 1.892 192 A HA -0.265 4.056 4.320 0.001 0.000 0.218 192 A C 2.056 179.649 177.584 0.016 0.000 1.188 192 A CA 2.430 54.474 52.037 0.012 0.000 0.631 192 A CB -1.540 17.466 19.000 0.009 0.000 0.822 192 A HN 0.122 nan 8.150 nan 0.000 0.447 193 D N -0.709 119.699 120.400 0.012 0.000 2.144 193 D HA -0.095 4.545 4.640 0.001 0.000 0.199 193 D C 1.846 178.156 176.300 0.018 0.000 0.984 193 D CA 1.071 55.079 54.000 0.014 0.000 0.834 193 D CB -0.370 40.434 40.800 0.008 0.000 0.955 193 D HN 0.343 nan 8.370 nan 0.000 0.465 194 L N 1.012 122.243 121.223 0.013 0.000 1.994 194 L HA -0.159 4.182 4.340 0.001 0.000 0.208 194 L C 1.604 178.502 176.870 0.046 0.000 1.071 194 L CA 1.708 56.557 54.840 0.016 0.000 0.745 194 L CB -0.333 41.728 42.059 0.004 0.000 0.892 194 L HN -0.133 nan 8.230 nan 0.000 0.431 195 D N -0.964 119.465 120.400 0.047 0.000 2.116 195 D HA -0.276 4.364 4.640 0.001 0.000 0.193 195 D C 2.045 178.382 176.300 0.062 0.000 0.998 195 D CA 1.574 55.609 54.000 0.060 0.000 0.836 195 D CB -0.219 40.604 40.800 0.038 0.000 0.951 195 D HN 0.407 nan 8.370 nan 0.000 0.449 196 Q N 1.095 120.922 119.800 0.046 0.000 2.077 196 Q HA -0.169 4.172 4.340 0.001 0.000 0.206 196 Q C 1.955 177.992 176.000 0.062 0.000 0.989 196 Q CA 2.413 58.242 55.803 0.044 0.000 0.853 196 Q CB -0.525 28.233 28.738 0.032 0.000 0.907 196 Q HN 0.206 nan 8.270 nan 0.000 0.418 197 A N 0.260 123.119 122.820 0.065 0.000 1.883 197 A HA -0.167 4.154 4.320 0.001 0.000 0.217 197 A C 2.177 179.845 177.584 0.139 0.000 1.186 197 A CA 1.708 53.795 52.037 0.083 0.000 0.624 197 A CB -0.920 18.114 19.000 0.056 0.000 0.822 197 A HN 0.484 nan 8.150 nan 0.000 0.444 198 L N -1.020 120.306 121.223 0.172 0.000 2.201 198 L HA -0.151 4.190 4.340 0.001 0.000 0.212 198 L C 3.014 180.040 176.870 0.261 0.000 1.105 198 L CA 0.822 55.845 54.840 0.304 0.000 0.775 198 L CB -0.458 41.804 42.059 0.338 0.000 0.913 198 L HN 0.465 nan 8.230 nan 0.000 0.440 199 A N 0.076 122.979 122.820 0.137 0.000 1.872 199 A HA -0.102 4.219 4.320 0.001 0.000 0.214 199 A C 2.219 179.855 177.584 0.085 0.000 1.187 199 A CA 1.043 53.125 52.037 0.075 0.000 0.614 199 A CB -0.558 18.465 19.000 0.038 0.000 0.826 199 A HN 0.318 nan 8.150 nan 0.000 0.442 200 L N -0.912 120.367 121.223 0.093 0.000 2.131 200 L HA -0.168 4.172 4.340 0.001 0.000 0.210 200 L C 2.528 179.468 176.870 0.116 0.000 1.092 200 L CA 0.798 55.689 54.840 0.084 0.000 0.759 200 L CB -0.484 41.620 42.059 0.074 0.000 0.903 200 L HN 0.419 nan 8.230 nan 0.000 0.435 201 L N 0.215 121.545 121.223 0.179 0.000 1.955 201 L HA -0.244 4.096 4.340 0.001 0.000 0.213 201 L C 2.794 179.825 176.870 0.269 0.000 1.072 201 L CA 1.851 56.832 54.840 0.236 0.000 0.755 201 L CB -0.661 41.594 42.059 0.326 0.000 0.888 201 L HN 0.137 nan 8.230 nan 0.000 0.432 202 R N -0.436 120.273 120.500 0.349 0.000 2.073 202 R HA -0.229 4.112 4.340 0.001 0.000 0.234 202 R C 2.166 178.530 176.300 0.105 0.000 1.134 202 R CA 1.779 58.033 56.100 0.257 0.000 0.952 202 R CB -0.291 29.987 30.300 -0.037 0.000 0.850 202 R HN 0.149 nan 8.270 nan 0.000 0.433 203 K N 0.543 120.978 120.400 0.058 0.000 2.585 203 K HA 0.039 4.359 4.320 0.001 0.000 0.194 203 K C -0.469 176.144 176.600 0.022 0.000 1.037 203 K CA 0.782 57.083 56.287 0.024 0.000 0.964 203 K CB -0.050 32.457 32.500 0.011 0.000 0.787 203 K HN 0.327 nan 8.250 nan 0.000 0.488 204 A N -0.121 122.722 122.820 0.038 0.000 2.311 204 A HA 0.397 4.717 4.320 0.001 0.000 0.334 204 A C 0.356 177.921 177.584 -0.031 0.000 1.139 204 A CA -0.601 51.438 52.037 0.002 0.000 0.830 204 A CB 0.869 19.876 19.000 0.012 0.000 1.234 204 A HN 0.303 nan 8.150 nan 0.000 0.483 205 E N 0.100 120.238 120.200 -0.104 0.000 2.099 205 E HA 0.038 4.389 4.350 0.001 0.000 0.191 205 E C 0.004 176.380 176.600 -0.373 0.000 0.962 205 E CA 0.607 56.904 56.400 -0.172 0.000 0.826 205 E CB 0.184 29.780 29.700 -0.173 0.000 0.788 205 E HN 0.594 nan 8.360 nan 0.000 0.461 206 R N 1.420 121.577 120.500 -0.572 0.000 2.564 206 R HA 0.265 4.605 4.340 0.001 0.000 0.282 206 R C -2.632 173.359 176.300 -0.514 0.000 1.573 206 R CA -1.414 53.878 56.100 -1.346 0.000 1.588 206 R CB 1.474 30.683 30.300 -1.819 0.000 1.154 206 R HN 0.083 nan 8.270 nan 0.000 0.606 207 P HA 0.259 nan 4.420 nan 0.000 0.293 207 P C -0.426 177.159 177.300 0.474 0.000 1.291 207 P CA -0.576 62.665 63.100 0.235 0.000 0.867 207 P CB 2.018 33.813 31.700 0.157 0.000 1.074 208 V N 0.441 120.544 119.914 0.314 0.000 3.001 208 V HA 0.623 4.743 4.120 0.001 0.000 0.314 208 V C -0.437 175.769 176.094 0.187 0.000 1.099 208 V CA -1.217 61.255 62.300 0.287 0.000 0.989 208 V CB 1.955 33.926 31.823 0.247 0.000 1.040 208 V HN 0.304 nan 8.190 nan 0.000 0.434 209 I N 2.634 123.318 120.570 0.190 0.000 2.336 209 I HA 0.522 4.693 4.170 0.001 0.000 0.292 209 I C -0.398 175.803 176.117 0.139 0.000 0.991 209 I CA -0.666 60.719 61.300 0.142 0.000 1.227 209 I CB 1.833 39.917 38.000 0.140 0.000 1.366 209 I HN 0.515 nan 8.210 nan 0.000 0.466 210 V N 7.330 127.284 119.914 0.067 0.000 2.472 210 V HA 0.428 4.548 4.120 0.001 0.000 0.290 210 V C 0.097 176.196 176.094 0.009 0.000 1.037 210 V CA -0.684 61.641 62.300 0.041 0.000 0.908 210 V CB 1.582 33.385 31.823 -0.033 0.000 0.985 210 V HN 0.456 nan 8.190 nan 0.000 0.454 211 L N 3.689 124.919 121.223 0.011 0.000 2.325 211 L HA 0.805 5.146 4.340 0.001 0.000 0.278 211 L C 0.722 177.570 176.870 -0.036 0.000 1.023 211 L CA -0.208 54.624 54.840 -0.012 0.000 0.811 211 L CB 1.660 43.719 42.059 -0.000 0.000 1.249 211 L HN 0.797 nan 8.230 nan 0.000 0.431 212 G N -0.221 108.547 108.800 -0.053 0.000 2.667 212 G HA2 0.359 4.320 3.960 0.001 0.000 0.310 212 G HA3 0.359 4.320 3.960 0.001 0.000 0.310 212 G C 0.787 175.648 174.900 -0.064 0.000 1.259 212 G CA 0.191 45.247 45.100 -0.072 0.000 1.019 212 G HN 0.670 nan 8.290 nan 0.000 0.496 213 S N -0.594 115.056 115.700 -0.083 0.000 2.387 213 S HA -0.176 4.295 4.470 0.001 0.000 0.230 213 S C 1.695 176.259 174.600 -0.061 0.000 1.035 213 S CA 1.887 60.043 58.200 -0.074 0.000 1.014 213 S CB -0.317 62.821 63.200 -0.102 0.000 0.836 213 S HN 0.536 nan 8.310 nan 0.000 0.466 214 E N 1.950 122.112 120.200 -0.064 0.000 2.171 214 E HA -0.109 4.241 4.350 0.001 0.000 0.197 214 E C 2.364 178.938 176.600 -0.042 0.000 0.997 214 E CA 1.282 57.651 56.400 -0.052 0.000 0.810 214 E CB -0.746 28.922 29.700 -0.053 0.000 0.738 214 E HN 0.744 nan 8.360 nan 0.000 0.467 215 A N 0.594 123.389 122.820 -0.041 0.000 1.969 215 A HA -0.097 4.223 4.320 0.001 0.000 0.218 215 A C 2.406 179.973 177.584 -0.028 0.000 1.169 215 A CA 1.524 53.542 52.037 -0.032 0.000 0.635 215 A CB -0.197 18.787 19.000 -0.027 0.000 0.810 215 A HN 0.169 nan 8.150 nan 0.000 0.445 216 S N -0.514 115.169 115.700 -0.029 0.000 2.461 216 S HA -0.024 4.446 4.470 0.001 0.000 0.228 216 S C 1.999 176.579 174.600 -0.033 0.000 1.005 216 S CA 0.410 58.594 58.200 -0.027 0.000 0.942 216 S CB -0.144 63.043 63.200 -0.022 0.000 0.776 216 S HN 0.499 nan 8.310 nan 0.000 0.514 217 R N 1.589 122.068 120.500 -0.035 0.000 2.073 217 R HA -0.009 4.332 4.340 0.001 0.000 0.229 217 R C 2.511 178.790 176.300 -0.034 0.000 1.120 217 R CA 1.779 57.859 56.100 -0.035 0.000 0.967 217 R CB -1.620 28.661 30.300 -0.031 0.000 0.862 217 R HN 0.615 nan 8.270 nan 0.000 0.436 218 T N -1.393 113.142 114.554 -0.033 0.000 2.985 218 T HA 0.207 4.558 4.350 0.001 0.000 0.266 218 T C 1.145 175.825 174.700 -0.034 0.000 1.076 218 T CA 0.625 62.705 62.100 -0.034 0.000 1.135 218 T CB -0.065 68.785 68.868 -0.030 0.000 0.890 218 T HN 0.300 nan 8.240 nan 0.000 0.480 219 A N 1.675 124.476 122.820 -0.031 0.000 2.640 219 A HA -0.158 4.162 4.320 0.001 0.000 0.300 219 A C 0.482 178.052 177.584 -0.024 0.000 1.499 219 A CA 0.259 52.279 52.037 -0.028 0.000 0.759 219 A CB -1.698 17.282 19.000 -0.034 0.000 1.048 219 A HN 0.391 nan 8.150 nan 0.000 0.450 220 R N 0.080 120.569 120.500 -0.019 0.000 3.266 220 R HA 0.249 4.590 4.340 0.001 0.000 0.224 220 R C 1.151 177.449 176.300 -0.004 0.000 1.525 220 R CA 0.241 56.335 56.100 -0.011 0.000 1.364 220 R CB -0.022 30.273 30.300 -0.008 0.000 1.276 220 R HN 0.741 nan 8.270 nan 0.000 0.660 221 K N 0.146 120.542 120.400 -0.007 0.000 1.991 221 K HA -0.116 4.204 4.320 0.001 0.000 0.207 221 K C 1.849 178.449 176.600 0.001 0.000 1.045 221 K CA 1.936 58.220 56.287 -0.006 0.000 0.937 221 K CB 0.126 32.618 32.500 -0.013 0.000 0.720 221 K HN 0.468 nan 8.250 nan 0.000 0.438 222 T N -0.769 113.786 114.554 0.002 0.000 2.759 222 T HA -0.115 4.235 4.350 0.001 0.000 0.269 222 T C 1.954 176.665 174.700 0.018 0.000 1.042 222 T CA 1.326 63.430 62.100 0.006 0.000 1.140 222 T CB -0.317 68.555 68.868 0.006 0.000 0.864 222 T HN 0.180 nan 8.240 nan 0.000 0.455 223 A N 0.859 123.692 122.820 0.023 0.000 2.067 223 A HA 0.237 4.557 4.320 0.001 0.000 0.219 223 A C 2.280 179.902 177.584 0.062 0.000 1.158 223 A CA 1.322 53.381 52.037 0.037 0.000 0.661 223 A CB -0.751 18.263 19.000 0.024 0.000 0.801 223 A HN 0.534 nan 8.150 nan 0.000 0.452 224 L N 0.612 121.864 121.223 0.048 0.000 2.044 224 L HA -0.108 4.233 4.340 0.001 0.000 0.205 224 L C 2.741 179.654 176.870 0.071 0.000 1.075 224 L CA 2.724 57.610 54.840 0.077 0.000 0.747 224 L CB -0.670 41.413 42.059 0.041 0.000 0.903 224 L HN 0.448 nan 8.230 nan 0.000 0.435 225 S N 0.076 115.789 115.700 0.022 0.000 2.348 225 S HA -0.155 4.315 4.470 0.001 0.000 0.221 225 S C 2.152 176.742 174.600 -0.017 0.000 1.033 225 S CA 0.930 59.123 58.200 -0.012 0.000 1.010 225 S CB -1.377 61.811 63.200 -0.020 0.000 0.891 225 S HN 0.568 nan 8.310 nan 0.000 0.442 226 A N 2.417 125.245 122.820 0.012 0.000 1.870 226 A HA -0.206 4.114 4.320 0.001 0.000 0.219 226 A C 2.015 179.602 177.584 0.004 0.000 1.286 226 A CA 2.127 54.174 52.037 0.017 0.000 0.682 226 A CB -1.652 17.375 19.000 0.046 0.000 0.844 226 A HN 0.670 nan 8.150 nan 0.000 0.460 227 F N 0.321 120.221 119.950 -0.084 0.000 2.236 227 F HA -0.163 4.365 4.527 0.000 0.000 0.302 227 F C 1.973 177.673 175.800 -0.167 0.000 1.073 227 F CA 1.908 59.831 58.000 -0.128 0.000 1.336 227 F CB -0.013 38.925 39.000 -0.104 0.000 1.040 227 F HN 0.039 nan 8.300 nan 0.000 0.507 228 V N 0.340 120.063 119.914 -0.318 0.000 2.407 228 V HA -0.166 3.954 4.120 0.001 0.000 0.245 228 V C 2.719 178.621 176.094 -0.320 0.000 1.041 228 V CA 1.322 63.384 62.300 -0.395 0.000 1.040 228 V CB -1.344 30.362 31.823 -0.196 0.000 0.671 228 V HN 0.468 nan 8.190 nan 0.000 0.455 229 A N 0.755 123.454 122.820 -0.202 0.000 1.837 229 A HA -0.247 4.073 4.320 0.001 0.000 0.216 229 A C 2.503 179.965 177.584 -0.204 0.000 1.210 229 A CA 2.794 54.739 52.037 -0.153 0.000 0.632 229 A CB -1.382 17.565 19.000 -0.089 0.000 0.843 229 A HN 0.639 nan 8.150 nan 0.000 0.448 230 A N -1.195 121.496 122.820 -0.215 0.000 1.954 230 A HA -0.269 4.051 4.320 0.001 0.000 0.222 230 A C 2.335 179.619 177.584 -0.499 0.000 1.199 230 A CA 3.506 55.386 52.037 -0.262 0.000 0.657 230 A CB -1.415 17.449 19.000 -0.227 0.000 0.823 230 A HN 1.159 nan 8.150 nan 0.000 0.463 231 T N -5.549 108.586 114.554 -0.699 0.000 2.990 231 T HA 0.417 4.767 4.350 0.001 0.000 0.250 231 T C 1.478 175.943 174.700 -0.391 0.000 1.041 231 T CA 1.050 62.645 62.100 -0.841 0.000 1.010 231 T CB 0.032 68.142 68.868 -1.264 0.000 1.003 231 T HN 1.876 nan 8.240 nan 0.000 0.499 232 G N 1.481 110.102 108.800 -0.298 0.000 2.233 232 G HA2 -0.224 3.736 3.960 0.001 0.000 0.270 232 G HA3 -0.224 3.736 3.960 0.001 0.000 0.270 232 G C 0.050 174.887 174.900 -0.105 0.000 1.011 232 G CA 0.284 45.294 45.100 -0.149 0.000 0.762 232 G HN 0.766 nan 8.290 nan 0.000 0.511 233 V N 2.353 122.151 119.914 -0.193 0.000 2.461 233 V HA 0.412 4.533 4.120 0.001 0.000 0.275 233 V C -0.960 175.101 176.094 -0.055 0.000 1.047 233 V CA -1.388 60.872 62.300 -0.067 0.000 0.955 233 V CB 1.349 33.126 31.823 -0.078 0.000 0.988 233 V HN 0.277 nan 8.190 nan 0.000 0.471 234 P HA 0.277 nan 4.420 nan 0.000 0.275 234 P C -0.950 176.334 177.300 -0.028 0.000 1.228 234 P CA -0.167 62.888 63.100 -0.075 0.000 0.786 234 P CB 1.471 33.082 31.700 -0.148 0.000 0.927 235 V N 3.638 123.454 119.914 -0.165 0.000 2.444 235 V HA 0.384 4.505 4.120 0.001 0.000 0.294 235 V C 0.040 175.976 176.094 -0.264 0.000 1.022 235 V CA -0.327 61.919 62.300 -0.091 0.000 0.850 235 V CB 0.663 32.438 31.823 -0.080 0.000 0.992 235 V HN 0.406 nan 8.190 nan 0.000 0.426 236 F N 2.177 122.087 119.950 -0.067 0.000 2.518 236 F HA 0.916 5.443 4.527 0.001 0.000 0.338 236 F C 0.524 176.289 175.800 -0.060 0.000 1.065 236 F CA -0.586 57.369 58.000 -0.075 0.000 1.012 236 F CB 1.825 40.764 39.000 -0.102 0.000 1.297 236 F HN 0.591 nan 8.300 nan 0.000 0.489 237 A N 0.541 123.450 122.820 0.148 0.000 2.589 237 A HA 0.532 4.852 4.320 0.001 0.000 0.296 237 A C -1.724 175.880 177.584 0.033 0.000 1.062 237 A CA -0.949 51.122 52.037 0.057 0.000 0.686 237 A CB 1.004 20.022 19.000 0.031 0.000 1.282 237 A HN 0.730 nan 8.150 nan 0.000 0.404 238 D N 0.269 120.652 120.400 -0.028 0.000 2.377 238 D HA 0.311 4.952 4.640 0.001 0.000 0.245 238 D C 0.720 177.032 176.300 0.020 0.000 1.196 238 D CA -0.221 53.709 54.000 -0.117 0.000 0.962 238 D CB 0.135 40.812 40.800 -0.205 0.000 1.127 238 D HN 0.443 nan 8.370 nan 0.000 0.471 239 Y N -0.686 119.680 120.300 0.110 0.000 2.062 239 Y HA -0.236 4.315 4.550 0.000 0.000 0.273 239 Y C 2.364 178.366 175.900 0.170 0.000 1.206 239 Y CA 1.915 60.153 58.100 0.230 0.000 1.125 239 Y CB -1.143 37.404 38.460 0.145 0.000 0.951 239 Y HN 0.582 nan 8.280 nan 0.000 0.501 240 E N -0.335 119.971 120.200 0.177 0.000 2.150 240 E HA -0.060 4.290 4.350 0.001 0.000 0.193 240 E C 2.447 179.084 176.600 0.061 0.000 0.985 240 E CA 1.152 57.593 56.400 0.069 0.000 0.814 240 E CB -0.656 29.029 29.700 -0.025 0.000 0.752 240 E HN 0.426 nan 8.360 nan 0.000 0.466 241 G N -0.026 108.805 108.800 0.051 0.000 2.650 241 G HA2 -0.140 3.821 3.960 0.001 0.000 0.214 241 G HA3 -0.140 3.821 3.960 0.001 0.000 0.214 241 G C 1.356 176.282 174.900 0.044 0.000 1.136 241 G CA 0.405 45.523 45.100 0.030 0.000 0.789 241 G HN 0.288 nan 8.290 nan 0.000 0.536 242 L N 2.315 123.593 121.223 0.092 0.000 2.012 242 L HA -0.132 4.208 4.340 0.001 0.000 0.210 242 L C 2.991 179.873 176.870 0.021 0.000 1.073 242 L CA 2.583 57.455 54.840 0.053 0.000 0.748 242 L CB -0.685 41.407 42.059 0.055 0.000 0.891 242 L HN 0.294 nan 8.230 nan 0.000 0.431 243 S N -1.944 113.788 115.700 0.053 0.000 2.500 243 S HA -0.168 4.302 4.470 0.001 0.000 0.239 243 S C 1.795 176.392 174.600 -0.004 0.000 0.989 243 S CA 1.020 59.233 58.200 0.022 0.000 0.951 243 S CB -0.564 62.658 63.200 0.036 0.000 0.759 243 S HN 0.397 nan 8.310 nan 0.000 0.523 244 M N 1.059 120.656 119.600 -0.004 0.000 2.419 244 M HA 0.262 4.743 4.480 0.001 0.000 0.264 244 M C 1.582 177.866 176.300 -0.027 0.000 1.082 244 M CA 0.774 56.066 55.300 -0.014 0.000 1.119 244 M CB -1.058 31.537 32.600 -0.009 0.000 1.398 244 M HN 0.407 nan 8.290 nan 0.000 0.453 245 L N -1.331 119.868 121.223 -0.040 0.000 2.554 245 L HA -0.005 4.335 4.340 0.001 0.000 0.226 245 L C 2.097 178.928 176.870 -0.066 0.000 1.137 245 L CA 0.057 54.858 54.840 -0.065 0.000 0.863 245 L CB -0.627 41.376 42.059 -0.094 0.000 0.985 245 L HN 0.154 nan 8.230 nan 0.000 0.451 246 S N 0.631 116.300 115.700 -0.051 0.000 2.402 246 S HA -0.069 4.401 4.470 0.001 0.000 0.229 246 S C 1.718 176.288 174.600 -0.050 0.000 1.021 246 S CA 1.253 59.422 58.200 -0.052 0.000 0.974 246 S CB -0.134 63.042 63.200 -0.040 0.000 0.800 246 S HN 0.596 nan 8.310 nan 0.000 0.484 247 G N 0.764 109.538 108.800 -0.044 0.000 3.609 247 G HA2 0.432 4.392 3.960 0.001 0.000 0.280 247 G HA3 0.432 4.392 3.960 0.001 0.000 0.280 247 G C -0.035 174.837 174.900 -0.046 0.000 1.155 247 G CA -0.336 44.739 45.100 -0.041 0.000 0.876 247 G HN 0.270 nan 8.290 nan 0.000 0.535 248 L N 1.251 122.439 121.223 -0.059 0.000 2.334 248 L HA 0.341 4.682 4.340 0.001 0.000 0.277 248 L C -1.823 175.004 176.870 -0.071 0.000 1.075 248 L CA -2.065 52.734 54.840 -0.068 0.000 0.804 248 L CB 1.378 43.385 42.059 -0.085 0.000 1.174 248 L HN -0.055 nan 8.230 nan 0.000 0.438 249 P HA -0.103 nan 4.420 nan 0.000 0.261 249 P C 0.179 177.430 177.300 -0.082 0.000 1.173 249 P CA 0.220 63.278 63.100 -0.069 0.000 0.760 249 P CB 0.582 32.241 31.700 -0.068 0.000 0.783 250 D N 3.112 123.465 120.400 -0.078 0.000 2.149 250 D HA -0.189 4.452 4.640 0.001 0.000 0.198 250 D C 1.752 177.992 176.300 -0.100 0.000 0.990 250 D CA 1.744 55.691 54.000 -0.089 0.000 0.839 250 D CB 0.052 40.806 40.800 -0.077 0.000 0.948 250 D HN 0.394 nan 8.370 nan 0.000 0.460 251 A N 0.286 123.054 122.820 -0.088 0.000 1.978 251 A HA -0.132 4.189 4.320 0.001 0.000 0.220 251 A C 2.051 179.565 177.584 -0.118 0.000 1.170 251 A CA 1.216 53.200 52.037 -0.089 0.000 0.636 251 A CB -0.406 18.554 19.000 -0.066 0.000 0.810 251 A HN 0.284 nan 8.150 nan 0.000 0.448 252 M N -0.659 118.864 119.600 -0.129 0.000 2.551 252 M HA 0.168 4.648 4.480 0.001 0.000 0.252 252 M C -0.031 176.139 176.300 -0.218 0.000 1.219 252 M CA 0.063 55.267 55.300 -0.161 0.000 0.978 252 M CB 0.338 32.857 32.600 -0.135 0.000 1.533 252 M HN 0.091 nan 8.290 nan 0.000 0.474 253 R N 0.442 120.805 120.500 -0.229 0.000 2.230 253 R HA 0.262 4.602 4.340 0.001 0.000 0.337 253 R C 1.297 177.344 176.300 -0.423 0.000 1.063 253 R CA -0.261 55.669 56.100 -0.283 0.000 0.935 253 R CB 0.678 30.855 30.300 -0.206 0.000 1.121 253 R HN 0.321 nan 8.270 nan 0.000 0.486 254 G N 2.149 110.491 108.800 -0.762 0.000 2.559 254 G HA2 0.017 3.977 3.960 0.001 0.000 0.216 254 G HA3 0.017 3.977 3.960 0.001 0.000 0.216 254 G C 0.901 175.326 174.900 -0.793 0.000 1.126 254 G CA 0.494 44.805 45.100 -1.314 0.000 0.778 254 G HN 0.887 nan 8.290 nan 0.000 0.543 255 G N 0.199 108.720 108.800 -0.464 0.000 2.574 255 G HA2 -0.293 3.667 3.960 0.001 0.000 0.282 255 G HA3 -0.293 3.667 3.960 0.001 0.000 0.282 255 G C 0.238 175.129 174.900 -0.014 0.000 1.257 255 G CA -0.116 44.872 45.100 -0.186 0.000 0.956 255 G HN 0.696 nan 8.290 nan 0.000 0.560 256 L N 0.695 121.963 121.223 0.074 0.000 2.584 256 L HA 0.072 4.412 4.340 0.001 0.000 0.272 256 L C 2.275 179.293 176.870 0.246 0.000 1.195 256 L CA 0.468 55.398 54.840 0.150 0.000 0.920 256 L CB 0.659 42.815 42.059 0.162 0.000 1.173 256 L HN 0.643 nan 8.230 nan 0.000 0.489 257 V N 4.652 124.685 119.914 0.198 0.000 2.511 257 V HA -0.347 3.774 4.120 0.001 0.000 0.257 257 V C 2.442 178.527 176.094 -0.015 0.000 1.088 257 V CA 2.628 64.963 62.300 0.059 0.000 1.098 257 V CB -0.391 31.408 31.823 -0.039 0.000 0.674 257 V HN 1.100 nan 8.190 nan 0.000 0.470 258 Q N 1.333 121.162 119.800 0.047 0.000 2.124 258 Q HA -0.237 4.103 4.340 0.001 0.000 0.202 258 Q C 1.540 177.613 176.000 0.122 0.000 0.977 258 Q CA 2.077 57.917 55.803 0.062 0.000 0.850 258 Q CB -0.865 27.923 28.738 0.082 0.000 0.901 258 Q HN 0.863 nan 8.270 nan 0.000 0.429 259 N N 0.349 119.149 118.700 0.166 0.000 2.449 259 N HA -0.067 4.673 4.740 0.001 0.000 0.191 259 N C 1.137 176.786 175.510 0.232 0.000 1.161 259 N CA 0.210 53.402 53.050 0.237 0.000 0.863 259 N CB 0.008 38.652 38.487 0.261 0.000 0.980 259 N HN 0.172 nan 8.380 nan 0.000 0.458 260 L N -0.421 120.774 121.223 -0.048 0.000 2.465 260 L HA 0.088 4.429 4.340 0.001 0.000 0.224 260 L C 1.715 178.557 176.870 -0.046 0.000 1.145 260 L CA 0.779 55.351 54.840 -0.446 0.000 0.834 260 L CB -1.062 40.584 42.059 -0.689 0.000 0.944 260 L HN 0.252 nan 8.230 nan 0.000 0.451 261 Y N 0.018 120.325 120.300 0.012 0.000 2.128 261 Y HA -0.337 4.213 4.550 0.000 0.000 0.284 261 Y C 2.821 178.811 175.900 0.150 0.000 1.154 261 Y CA 2.018 60.154 58.100 0.061 0.000 1.149 261 Y CB -0.447 38.045 38.460 0.052 0.000 0.976 261 Y HN 0.383 nan 8.280 nan 0.000 0.505 262 S N -0.241 115.610 115.700 0.252 0.000 2.400 262 S HA -0.258 4.212 4.470 0.001 0.000 0.232 262 S C 1.848 176.501 174.600 0.088 0.000 1.025 262 S CA 1.336 59.615 58.200 0.132 0.000 0.993 262 S CB -1.426 61.889 63.200 0.191 0.000 0.808 262 S HN 0.400 nan 8.310 nan 0.000 0.478 263 F N 2.640 122.555 119.950 -0.057 0.000 2.323 263 F HA -0.020 4.507 4.527 0.000 0.000 0.301 263 F C 2.616 178.397 175.800 -0.031 0.000 1.060 263 F CA 0.164 58.158 58.000 -0.009 0.000 1.398 263 F CB -1.078 37.937 39.000 0.025 0.000 1.075 263 F HN 0.372 nan 8.300 nan 0.000 0.540 264 A N 0.040 122.891 122.820 0.052 0.000 1.832 264 A HA -0.161 4.160 4.320 0.001 0.000 0.214 264 A C 2.454 180.023 177.584 -0.026 0.000 1.200 264 A CA 1.328 53.355 52.037 -0.017 0.000 0.610 264 A CB -0.465 18.472 19.000 -0.105 0.000 0.842 264 A HN 0.062 nan 8.150 nan 0.000 0.444 265 K N 0.094 120.459 120.400 -0.059 0.000 2.020 265 K HA -0.115 4.205 4.320 0.001 0.000 0.212 265 K C 1.880 178.459 176.600 -0.035 0.000 1.050 265 K CA 1.514 57.776 56.287 -0.041 0.000 0.929 265 K CB -1.018 31.459 32.500 -0.039 0.000 0.714 265 K HN 0.457 nan 8.250 nan 0.000 0.443 266 A N 1.646 124.431 122.820 -0.058 0.000 2.250 266 A HA -0.063 4.258 4.320 0.001 0.000 0.208 266 A C -0.095 177.456 177.584 -0.054 0.000 1.254 266 A CA 0.270 52.258 52.037 -0.082 0.000 0.858 266 A CB -0.566 18.328 19.000 -0.177 0.000 0.820 266 A HN 0.334 nan 8.150 nan 0.000 0.484 267 D N -1.375 119.015 120.400 -0.017 0.000 2.813 267 D HA -0.204 4.436 4.640 0.001 0.000 0.218 267 D C 0.562 176.891 176.300 0.047 0.000 1.240 267 D CA 1.119 55.128 54.000 0.015 0.000 0.644 267 D CB -0.992 39.812 40.800 0.007 0.000 0.966 267 D HN 0.601 nan 8.370 nan 0.000 0.398 268 A N -0.031 122.852 122.820 0.106 0.000 2.622 268 A HA 0.608 4.929 4.320 0.001 0.000 0.283 268 A C 0.822 178.725 177.584 0.531 0.000 0.998 268 A CA 0.511 52.702 52.037 0.258 0.000 0.985 268 A CB 0.341 19.473 19.000 0.220 0.000 1.236 268 A HN 0.624 nan 8.150 nan 0.000 0.559 269 A N 1.505 124.534 122.820 0.349 0.000 2.565 269 A HA 0.481 4.801 4.320 0.001 0.000 0.237 269 A C -2.338 175.363 177.584 0.196 0.000 1.053 269 A CA -0.294 51.920 52.037 0.295 0.000 0.755 269 A CB -0.496 18.581 19.000 0.128 0.000 0.980 269 A HN 0.275 nan 8.150 nan 0.000 0.506 270 P HA 0.099 nan 4.420 nan 0.000 0.272 270 P C -0.016 177.278 177.300 -0.010 0.000 1.223 270 P CA -0.038 63.115 63.100 0.088 0.000 0.784 270 P CB 0.590 32.374 31.700 0.140 0.000 0.923 271 D N 1.210 121.563 120.400 -0.079 0.000 2.354 271 D HA 0.073 4.713 4.640 0.001 0.000 0.209 271 D C 0.037 176.332 176.300 -0.008 0.000 1.015 271 D CA 0.484 54.453 54.000 -0.052 0.000 0.867 271 D CB -0.036 40.709 40.800 -0.091 0.000 0.933 271 D HN 0.179 nan 8.370 nan 0.000 0.520 272 L N 0.358 121.587 121.223 0.011 0.000 2.526 272 L HA 0.423 4.764 4.340 0.001 0.000 0.263 272 L C -1.891 175.021 176.870 0.069 0.000 0.943 272 L CA -0.710 54.157 54.840 0.044 0.000 0.859 272 L CB 2.479 44.569 42.059 0.051 0.000 1.313 272 L HN -0.219 nan 8.230 nan 0.000 0.406 273 V N 5.122 125.072 119.914 0.059 0.000 2.444 273 V HA 0.431 4.551 4.120 0.001 0.000 0.294 273 V C -0.593 175.529 176.094 0.047 0.000 1.022 273 V CA -0.508 61.821 62.300 0.047 0.000 0.850 273 V CB 1.675 33.506 31.823 0.014 0.000 0.992 273 V HN 0.609 nan 8.190 nan 0.000 0.426 274 L N 6.511 127.770 121.223 0.060 0.000 2.352 274 L HA 0.512 4.852 4.340 0.001 0.000 0.272 274 L C 0.116 176.992 176.870 0.010 0.000 1.109 274 L CA 0.164 55.033 54.840 0.049 0.000 0.952 274 L CB 0.470 42.584 42.059 0.093 0.000 1.314 274 L HN 0.630 nan 8.230 nan 0.000 0.427 275 M N 5.664 125.241 119.600 -0.039 0.000 2.292 275 M HA 0.182 4.662 4.480 0.001 0.000 0.342 275 M C -0.617 175.637 176.300 -0.077 0.000 1.538 275 M CA 0.603 55.847 55.300 -0.095 0.000 1.163 275 M CB 0.180 32.660 32.600 -0.200 0.000 1.823 275 M HN 0.420 nan 8.290 nan 0.000 0.462 276 L N 3.696 124.883 121.223 -0.060 0.000 2.371 276 L HA 0.402 4.742 4.340 0.001 0.000 0.262 276 L C 0.988 177.820 176.870 -0.063 0.000 1.054 276 L CA -0.269 54.538 54.840 -0.055 0.000 0.924 276 L CB 0.740 42.777 42.059 -0.036 0.000 1.295 276 L HN 1.093 nan 8.230 nan 0.000 0.441 277 G N 1.988 110.743 108.800 -0.076 0.000 2.253 277 G HA2 -0.291 3.669 3.960 0.001 0.000 0.251 277 G HA3 -0.291 3.669 3.960 0.001 0.000 0.251 277 G C 0.483 175.326 174.900 -0.096 0.000 0.998 277 G CA 0.044 45.098 45.100 -0.076 0.000 0.621 277 G HN 0.737 nan 8.290 nan 0.000 0.524 278 A N 0.750 123.501 122.820 -0.115 0.000 2.454 278 A HA 0.708 5.028 4.320 0.001 0.000 0.260 278 A C 0.703 178.173 177.584 -0.190 0.000 1.106 278 A CA 0.208 52.161 52.037 -0.140 0.000 0.780 278 A CB 0.229 19.141 19.000 -0.147 0.000 1.044 278 A HN 0.517 nan 8.150 nan 0.000 0.498 279 R N 1.193 121.619 120.500 -0.123 0.000 2.486 279 R HA 0.405 4.746 4.340 0.001 0.000 0.286 279 R C -1.069 175.165 176.300 -0.110 0.000 0.999 279 R CA -0.374 55.671 56.100 -0.092 0.000 0.993 279 R CB 0.939 31.282 30.300 0.070 0.000 1.084 279 R HN 0.692 nan 8.270 nan 0.000 0.487 280 F N 1.235 121.194 119.950 0.016 0.000 2.543 280 F HA 0.265 4.792 4.527 0.001 0.000 0.375 280 F C 1.443 177.222 175.800 -0.035 0.000 1.075 280 F CA 1.369 59.365 58.000 -0.008 0.000 1.225 280 F CB 0.898 39.901 39.000 0.005 0.000 1.099 280 F HN 0.712 nan 8.300 nan 0.000 0.561 281 G N 2.272 111.131 108.800 0.098 0.000 2.356 281 G HA2 0.003 3.963 3.960 0.001 0.000 0.266 281 G HA3 0.003 3.963 3.960 0.001 0.000 0.266 281 G C -0.215 174.401 174.900 -0.473 0.000 1.312 281 G CA -0.458 44.555 45.100 -0.146 0.000 0.922 281 G HN 0.611 nan 8.290 nan 0.000 0.480 282 L N 0.825 121.735 121.223 -0.522 0.000 1.963 282 L HA -0.057 4.283 4.340 0.001 0.000 0.220 282 L C 2.319 179.053 176.870 -0.228 0.000 1.076 282 L CA 3.129 57.693 54.840 -0.461 0.000 0.772 282 L CB -0.694 41.347 42.059 -0.031 0.000 0.892 282 L HN 0.630 nan 8.230 nan 0.000 0.435 283 N N -1.337 117.360 118.700 -0.005 0.000 2.453 283 N HA -0.103 4.638 4.740 0.001 0.000 0.183 283 N C 0.722 176.155 175.510 -0.127 0.000 1.041 283 N CA 1.515 54.503 53.050 -0.103 0.000 0.900 283 N CB -0.098 38.288 38.487 -0.168 0.000 0.961 283 N HN 0.640 nan 8.380 nan 0.000 0.443 284 T N -2.968 111.522 114.554 -0.107 0.000 3.214 284 T HA 0.360 4.710 4.350 0.001 0.000 0.264 284 T C 0.997 175.666 174.700 -0.052 0.000 1.012 284 T CA 0.005 62.055 62.100 -0.084 0.000 0.901 284 T CB 0.514 69.331 68.868 -0.084 0.000 1.070 284 T HN 0.160 nan 8.240 nan 0.000 0.561 285 G N 1.999 110.727 108.800 -0.121 0.000 2.221 285 G HA2 -0.286 3.674 3.960 0.001 0.000 0.265 285 G HA3 -0.286 3.674 3.960 0.001 0.000 0.265 285 G C 0.288 175.209 174.900 0.035 0.000 1.041 285 G CA 0.547 45.621 45.100 -0.043 0.000 0.807 285 G HN 0.936 nan 8.290 nan 0.000 0.502 286 H N -1.805 117.306 119.070 0.068 0.000 1.452 286 H HA -0.223 4.334 4.556 0.001 0.000 0.090 286 H C 1.870 177.239 175.328 0.068 0.000 1.472 286 H CA 2.452 58.536 56.048 0.059 0.000 1.901 286 H CB -1.224 28.545 29.762 0.011 0.000 2.257 286 H HN 1.205 nan 8.280 nan 0.000 0.961 287 G N -0.763 108.123 108.800 0.143 0.000 3.936 287 G HA2 0.328 4.288 3.960 0.001 0.000 0.296 287 G HA3 0.328 4.288 3.960 0.001 0.000 0.296 287 G C 0.798 175.722 174.900 0.040 0.000 1.121 287 G CA 0.462 45.560 45.100 -0.004 0.000 0.899 287 G HN 0.678 nan 8.290 nan 0.000 0.542 288 S N -1.170 114.558 115.700 0.045 0.000 2.496 288 S HA 0.316 4.786 4.470 0.001 0.000 0.224 288 S C 2.027 176.569 174.600 -0.098 0.000 0.996 288 S CA 1.094 59.320 58.200 0.043 0.000 0.927 288 S CB 0.093 63.348 63.200 0.091 0.000 0.774 288 S HN 1.389 nan 8.310 nan 0.000 0.524 289 G N 1.036 109.658 108.800 -0.296 0.000 2.258 289 G HA2 -0.332 3.628 3.960 0.001 0.000 0.233 289 G HA3 -0.332 3.628 3.960 0.001 0.000 0.233 289 G C 0.837 175.630 174.900 -0.178 0.000 1.006 289 G CA 0.376 45.186 45.100 -0.483 0.000 0.620 289 G HN 0.526 nan 8.290 nan 0.000 0.511 290 Q N -0.207 119.560 119.800 -0.055 0.000 2.291 290 Q HA 0.285 4.625 4.340 0.001 0.000 0.205 290 Q C 2.527 178.533 176.000 0.010 0.000 0.970 290 Q CA 1.358 57.163 55.803 0.003 0.000 0.876 290 Q CB -0.021 28.801 28.738 0.140 0.000 0.935 290 Q HN 0.694 nan 8.270 nan 0.000 0.455 291 L N -0.741 120.487 121.223 0.008 0.000 2.435 291 L HA 0.173 4.513 4.340 0.001 0.000 0.195 291 L C 0.374 177.188 176.870 -0.092 0.000 1.072 291 L CA -0.095 54.724 54.840 -0.035 0.000 0.833 291 L CB 0.454 42.499 42.059 -0.024 0.000 1.081 291 L HN 0.103 nan 8.230 nan 0.000 0.485 292 I N 1.730 122.271 120.570 -0.049 0.000 2.297 292 I HA 0.284 4.455 4.170 0.001 0.000 0.291 292 I C -2.353 173.731 176.117 -0.055 0.000 1.033 292 I CA -2.271 59.014 61.300 -0.025 0.000 1.253 292 I CB 0.263 38.318 38.000 0.091 0.000 1.396 292 I HN -0.209 nan 8.210 nan 0.000 0.476 293 P HA 0.072 nan 4.420 nan 0.000 0.268 293 P C 0.876 178.159 177.300 -0.029 0.000 1.204 293 P CA 0.057 63.125 63.100 -0.053 0.000 0.768 293 P CB 0.425 32.125 31.700 -0.001 0.000 0.842 294 H N 1.375 120.454 119.070 0.015 0.000 2.390 294 H HA -0.118 4.438 4.556 0.000 0.000 0.298 294 H C 1.764 177.096 175.328 0.007 0.000 1.106 294 H CA 2.335 58.385 56.048 0.003 0.000 1.297 294 H CB -0.652 29.105 29.762 -0.008 0.000 1.375 294 H HN 0.449 nan 8.280 nan 0.000 0.509 295 S N 0.152 115.926 115.700 0.123 0.000 2.489 295 S HA 0.192 4.662 4.470 0.001 0.000 0.228 295 S C 1.376 176.005 174.600 0.049 0.000 0.995 295 S CA 0.196 58.437 58.200 0.069 0.000 0.934 295 S CB -0.049 63.180 63.200 0.048 0.000 0.771 295 S HN 0.451 nan 8.310 nan 0.000 0.522 296 A N 1.578 124.428 122.820 0.049 0.000 2.425 296 A HA 0.328 4.648 4.320 0.001 0.000 0.242 296 A C 0.288 177.905 177.584 0.055 0.000 1.077 296 A CA -0.356 51.706 52.037 0.042 0.000 0.781 296 A CB 0.143 19.166 19.000 0.038 0.000 1.020 296 A HN 0.466 nan 8.150 nan 0.000 0.494 297 Q N 1.032 120.861 119.800 0.048 0.000 2.377 297 Q HA 0.355 4.696 4.340 0.001 0.000 0.249 297 Q C -0.972 175.069 176.000 0.069 0.000 1.005 297 Q CA -0.295 55.542 55.803 0.056 0.000 0.912 297 Q CB 1.222 29.986 28.738 0.044 0.000 1.223 297 Q HN 0.514 nan 8.270 nan 0.000 0.459 298 V N 5.257 125.226 119.914 0.092 0.000 2.498 298 V HA 0.335 4.455 4.120 0.001 0.000 0.279 298 V C 0.255 176.401 176.094 0.087 0.000 1.048 298 V CA -0.266 62.098 62.300 0.106 0.000 0.967 298 V CB 1.035 32.972 31.823 0.191 0.000 0.988 298 V HN 0.613 nan 8.190 nan 0.000 0.473 299 I N 5.015 125.622 120.570 0.062 0.000 2.362 299 I HA 0.483 4.653 4.170 0.001 0.000 0.289 299 I C -0.239 175.890 176.117 0.021 0.000 0.994 299 I CA -0.292 61.037 61.300 0.047 0.000 1.158 299 I CB 1.566 39.594 38.000 0.047 0.000 1.315 299 I HN 0.635 nan 8.210 nan 0.000 0.451 300 Q N 5.664 125.475 119.800 0.017 0.000 2.321 300 Q HA 0.546 4.887 4.340 0.001 0.000 0.270 300 Q C -1.862 174.128 176.000 -0.016 0.000 1.032 300 Q CA -0.586 55.205 55.803 -0.020 0.000 0.784 300 Q CB 2.926 31.651 28.738 -0.020 0.000 1.264 300 Q HN 0.512 nan 8.270 nan 0.000 0.448 301 V N 3.844 123.736 119.914 -0.036 0.000 2.378 301 V HA 0.456 4.576 4.120 0.001 0.000 0.288 301 V C -0.950 175.119 176.094 -0.042 0.000 1.016 301 V CA -0.470 61.810 62.300 -0.034 0.000 0.840 301 V CB 1.682 33.480 31.823 -0.042 0.000 0.994 301 V HN 0.843 nan 8.190 nan 0.000 0.431 302 D N 4.990 125.372 120.400 -0.030 0.000 2.753 302 D HA 0.517 5.157 4.640 0.001 0.000 0.224 302 D C -2.078 174.210 176.300 -0.020 0.000 1.213 302 D CA -1.230 52.751 54.000 -0.032 0.000 0.833 302 D CB 3.457 44.239 40.800 -0.030 0.000 1.607 302 D HN 0.232 nan 8.370 nan 0.000 0.463 303 P HA 0.003 nan 4.420 nan 0.000 0.233 303 P C -0.325 176.970 177.300 -0.008 0.000 1.167 303 P CA 0.573 63.664 63.100 -0.015 0.000 0.770 303 P CB 0.263 31.952 31.700 -0.018 0.000 0.837 304 D N -0.083 120.311 120.400 -0.009 0.000 2.427 304 D HA 0.356 4.996 4.640 0.001 0.000 0.226 304 D C 1.121 177.430 176.300 0.015 0.000 1.076 304 D CA -0.611 53.389 54.000 0.001 0.000 0.849 304 D CB 1.347 42.141 40.800 -0.009 0.000 1.052 304 D HN -0.151 nan 8.370 nan 0.000 0.515 305 A N 3.120 125.952 122.820 0.020 0.000 2.019 305 A HA -0.164 4.156 4.320 0.001 0.000 0.219 305 A C 2.339 179.946 177.584 0.038 0.000 1.164 305 A CA 0.956 53.009 52.037 0.027 0.000 0.644 305 A CB -0.563 18.451 19.000 0.024 0.000 0.805 305 A HN 0.767 nan 8.150 nan 0.000 0.449 306 C N -0.251 119.072 119.300 0.038 0.000 2.413 306 C HA -0.097 4.363 4.460 0.001 0.000 0.277 306 C C 2.568 177.594 174.990 0.059 0.000 1.265 306 C CA 1.159 60.204 59.018 0.046 0.000 1.752 306 C CB -0.983 26.784 27.740 0.045 0.000 1.998 306 C HN 0.605 nan 8.230 nan 0.000 0.489 307 E N 0.271 120.503 120.200 0.054 0.000 2.208 307 E HA -0.006 4.344 4.350 0.001 0.000 0.193 307 E C 0.525 177.200 176.600 0.126 0.000 0.988 307 E CA 0.409 56.856 56.400 0.078 0.000 0.828 307 E CB -0.333 29.391 29.700 0.040 0.000 0.763 307 E HN 0.398 nan 8.360 nan 0.000 0.478 308 L N 1.414 122.695 121.223 0.098 0.000 2.742 308 L HA 0.035 4.375 4.340 0.001 0.000 0.275 308 L C 1.362 178.338 176.870 0.177 0.000 1.141 308 L CA 1.239 56.154 54.840 0.123 0.000 0.987 308 L CB -0.879 41.225 42.059 0.075 0.000 1.319 308 L HN 0.328 nan 8.230 nan 0.000 0.478 309 G N 2.848 111.852 108.800 0.339 0.000 2.153 309 G HA2 -0.384 3.577 3.960 0.001 0.000 0.252 309 G HA3 -0.384 3.577 3.960 0.001 0.000 0.252 309 G C 1.562 176.498 174.900 0.060 0.000 0.994 309 G CA 0.707 45.948 45.100 0.235 0.000 0.698 309 G HN 0.649 nan 8.290 nan 0.000 0.521 310 R N -0.427 120.173 120.500 0.166 0.000 2.159 310 R HA -0.120 4.220 4.340 0.001 0.000 0.252 310 R C 1.921 178.190 176.300 -0.053 0.000 1.144 310 R CA 2.199 58.345 56.100 0.076 0.000 0.961 310 R CB -0.234 30.154 30.300 0.146 0.000 0.877 310 R HN 0.566 nan 8.270 nan 0.000 0.444 311 L N -1.361 119.724 121.223 -0.229 0.000 2.858 311 L HA 0.285 4.625 4.340 0.001 0.000 0.251 311 L C 0.217 176.852 176.870 -0.392 0.000 1.149 311 L CA -0.103 54.581 54.840 -0.259 0.000 0.955 311 L CB 0.795 42.765 42.059 -0.148 0.000 1.289 311 L HN 0.233 nan 8.230 nan 0.000 0.542 312 Q N -0.231 119.205 119.800 -0.607 0.000 2.352 312 Q HA 0.389 4.729 4.340 0.001 0.000 0.270 312 Q C -0.437 175.392 176.000 -0.285 0.000 1.006 312 Q CA -0.549 54.978 55.803 -0.460 0.000 0.880 312 Q CB 2.334 30.645 28.738 -0.711 0.000 1.392 312 Q HN 0.138 nan 8.270 nan 0.000 0.401 313 G N 3.218 111.954 108.800 -0.107 0.000 2.265 313 G HA2 0.350 4.310 3.960 0.001 0.000 0.240 313 G HA3 0.350 4.310 3.960 0.001 0.000 0.240 313 G C 0.015 174.927 174.900 0.020 0.000 1.270 313 G CA 0.119 45.198 45.100 -0.035 0.000 0.901 313 G HN 0.592 nan 8.290 nan 0.000 0.507 314 I N -0.436 120.167 120.570 0.055 0.000 2.957 314 I HA 0.779 4.950 4.170 0.001 0.000 0.310 314 I C 0.833 176.994 176.117 0.073 0.000 1.063 314 I CA -1.296 60.069 61.300 0.107 0.000 1.033 314 I CB 2.285 40.392 38.000 0.179 0.000 1.230 314 I HN 0.408 nan 8.210 nan 0.000 0.447 315 A N 3.267 126.131 122.820 0.074 0.000 2.044 315 A HA 0.497 4.817 4.320 0.001 0.000 0.213 315 A C 0.403 178.016 177.584 0.049 0.000 1.169 315 A CA 0.634 52.703 52.037 0.053 0.000 0.724 315 A CB 0.044 19.075 19.000 0.051 0.000 0.840 315 A HN 0.739 nan 8.150 nan 0.000 0.463 316 L N -1.887 119.369 121.223 0.056 0.000 2.588 316 L HA 0.684 5.024 4.340 0.001 0.000 0.263 316 L C -0.662 176.237 176.870 0.049 0.000 0.935 316 L CA -0.080 54.787 54.840 0.046 0.000 0.891 316 L CB 1.576 43.659 42.059 0.039 0.000 1.318 316 L HN 0.085 nan 8.230 nan 0.000 0.409 317 G N 5.433 114.260 108.800 0.044 0.000 2.422 317 G HA2 0.696 4.657 3.960 0.001 0.000 0.317 317 G HA3 0.696 4.657 3.960 0.001 0.000 0.317 317 G C -1.173 173.743 174.900 0.027 0.000 1.210 317 G CA -0.414 44.712 45.100 0.043 0.000 0.930 317 G HN 0.583 nan 8.290 nan 0.000 0.468 318 I N 2.110 122.691 120.570 0.017 0.000 2.466 318 I HA 0.213 4.384 4.170 0.001 0.000 0.289 318 I C -0.337 175.781 176.117 0.002 0.000 1.026 318 I CA -1.054 60.250 61.300 0.007 0.000 1.078 318 I CB 2.653 40.652 38.000 -0.001 0.000 1.249 318 I HN 0.087 nan 8.210 nan 0.000 0.429 319 V N 6.182 126.097 119.914 0.002 0.000 2.372 319 V HA 0.713 4.833 4.120 0.001 0.000 0.261 319 V C 0.417 176.506 176.094 -0.008 0.000 1.055 319 V CA 0.127 62.426 62.300 -0.001 0.000 0.930 319 V CB 0.310 32.135 31.823 0.003 0.000 1.031 319 V HN 0.888 nan 8.190 nan 0.000 0.479 320 A N 3.958 126.769 122.820 -0.014 0.000 2.515 320 A HA 0.632 4.953 4.320 0.001 0.000 0.299 320 A C -1.132 176.439 177.584 -0.021 0.000 1.179 320 A CA -0.751 51.276 52.037 -0.017 0.000 0.656 320 A CB 1.043 20.030 19.000 -0.020 0.000 1.306 320 A HN 0.627 nan 8.150 nan 0.000 0.459 321 D N -0.123 120.265 120.400 -0.019 0.000 2.371 321 D HA 0.346 4.986 4.640 0.001 0.000 0.256 321 D C 1.214 177.496 176.300 -0.030 0.000 1.193 321 D CA 0.271 54.258 54.000 -0.021 0.000 0.881 321 D CB 1.048 41.841 40.800 -0.012 0.000 1.143 321 D HN 0.223 nan 8.370 nan 0.000 0.473 322 V N 4.394 124.287 119.914 -0.036 0.000 2.282 322 V HA -0.208 3.912 4.120 0.001 0.000 0.249 322 V C 2.360 178.426 176.094 -0.045 0.000 1.057 322 V CA 2.404 64.677 62.300 -0.045 0.000 1.032 322 V CB -0.901 30.895 31.823 -0.045 0.000 0.645 322 V HN 0.838 nan 8.190 nan 0.000 0.447 323 G N -0.448 108.332 108.800 -0.034 0.000 2.422 323 G HA2 -0.154 3.806 3.960 0.001 0.000 0.218 323 G HA3 -0.154 3.806 3.960 0.001 0.000 0.218 323 G C 1.570 176.457 174.900 -0.022 0.000 1.146 323 G CA 0.947 46.031 45.100 -0.027 0.000 0.769 323 G HN 0.617 nan 8.290 nan 0.000 0.547 324 G N -0.182 108.609 108.800 -0.016 0.000 2.421 324 G HA2 -0.031 3.929 3.960 0.001 0.000 0.217 324 G HA3 -0.031 3.929 3.960 0.001 0.000 0.217 324 G C 1.791 176.671 174.900 -0.034 0.000 1.143 324 G CA 1.580 46.677 45.100 -0.004 0.000 0.784 324 G HN 0.371 nan 8.290 nan 0.000 0.541 325 T N 1.555 116.075 114.554 -0.057 0.000 2.668 325 T HA -0.048 4.302 4.350 0.001 0.000 0.262 325 T C 2.386 176.994 174.700 -0.153 0.000 1.045 325 T CA 0.947 62.991 62.100 -0.094 0.000 1.152 325 T CB -0.224 68.588 68.868 -0.093 0.000 0.864 325 T HN 0.207 nan 8.240 nan 0.000 0.419 326 I N 0.953 121.431 120.570 -0.154 0.000 2.185 326 I HA -0.274 3.896 4.170 0.001 0.000 0.246 326 I C 2.702 178.721 176.117 -0.162 0.000 1.088 326 I CA 1.612 62.792 61.300 -0.200 0.000 1.347 326 I CB -0.417 37.522 38.000 -0.101 0.000 1.041 326 I HN 0.300 nan 8.210 nan 0.000 0.415 327 E N 0.991 121.141 120.200 -0.083 0.000 2.051 327 E HA -0.218 4.132 4.350 0.001 0.000 0.192 327 E C 2.188 178.753 176.600 -0.059 0.000 0.991 327 E CA 1.629 58.004 56.400 -0.042 0.000 0.799 327 E CB -0.145 29.554 29.700 -0.002 0.000 0.748 327 E HN 0.466 nan 8.360 nan 0.000 0.449 328 A N 0.223 122.995 122.820 -0.080 0.000 1.933 328 A HA -0.157 4.163 4.320 0.001 0.000 0.218 328 A C 2.213 179.732 177.584 -0.107 0.000 1.175 328 A CA 1.338 53.330 52.037 -0.076 0.000 0.628 328 A CB -0.653 18.303 19.000 -0.074 0.000 0.814 328 A HN 0.315 nan 8.150 nan 0.000 0.444 329 L N -0.989 120.094 121.223 -0.232 0.000 2.056 329 L HA -0.140 4.201 4.340 0.001 0.000 0.207 329 L C 3.115 179.885 176.870 -0.167 0.000 1.078 329 L CA 0.974 55.575 54.840 -0.398 0.000 0.749 329 L CB -0.537 40.871 42.059 -1.085 0.000 0.901 329 L HN 0.422 nan 8.230 nan 0.000 0.433 330 A N -0.371 122.394 122.820 -0.091 0.000 1.902 330 A HA -0.265 4.055 4.320 0.001 0.000 0.217 330 A C 2.199 179.825 177.584 0.070 0.000 1.181 330 A CA 1.667 53.754 52.037 0.083 0.000 0.623 330 A CB -0.492 18.550 19.000 0.070 0.000 0.818 330 A HN 0.479 nan 8.150 nan 0.000 0.443 331 Q N -0.873 118.945 119.800 0.030 0.000 2.224 331 Q HA 0.016 4.356 4.340 0.001 0.000 0.203 331 Q C 2.267 178.303 176.000 0.061 0.000 0.970 331 Q CA 1.123 56.948 55.803 0.036 0.000 0.865 331 Q CB -0.295 28.450 28.738 0.012 0.000 0.922 331 Q HN 0.701 nan 8.270 nan 0.000 0.445 332 A N 0.612 123.475 122.820 0.072 0.000 1.970 332 A HA -0.096 4.225 4.320 0.001 0.000 0.216 332 A C 2.133 179.833 177.584 0.194 0.000 1.170 332 A CA 1.487 53.591 52.037 0.111 0.000 0.645 332 A CB -0.415 18.645 19.000 0.101 0.000 0.816 332 A HN 0.432 nan 8.150 nan 0.000 0.447 333 T N -3.371 111.321 114.554 0.230 0.000 3.107 333 T HA 0.465 4.816 4.350 0.001 0.000 0.249 333 T C 1.426 176.252 174.700 0.211 0.000 1.096 333 T CA 0.742 63.027 62.100 0.309 0.000 1.012 333 T CB 0.274 69.273 68.868 0.218 0.000 0.977 333 T HN 0.394 nan 8.240 nan 0.000 0.527 334 A N 1.196 124.102 122.820 0.145 0.000 2.123 334 A HA 0.111 4.432 4.320 0.001 0.000 0.214 334 A C 2.274 179.920 177.584 0.103 0.000 1.152 334 A CA 0.295 52.394 52.037 0.104 0.000 0.728 334 A CB -0.226 18.817 19.000 0.072 0.000 0.814 334 A HN 0.387 nan 8.150 nan 0.000 0.464 335 Q N -0.509 119.362 119.800 0.119 0.000 2.360 335 Q HA 0.023 4.363 4.340 0.001 0.000 0.202 335 Q C 0.521 176.586 176.000 0.109 0.000 0.915 335 Q CA 0.515 56.375 55.803 0.096 0.000 0.943 335 Q CB 0.386 29.173 28.738 0.083 0.000 1.064 335 Q HN 0.694 nan 8.270 nan 0.000 0.511 336 D N -0.197 120.308 120.400 0.174 0.000 3.161 336 D HA 0.093 4.734 4.640 0.001 0.000 0.287 336 D C 0.652 177.041 176.300 0.148 0.000 1.343 336 D CA 1.206 55.310 54.000 0.173 0.000 1.070 336 D CB 0.476 41.501 40.800 0.375 0.000 1.188 336 D HN -0.047 nan 8.370 nan 0.000 0.409 337 A N 0.088 123.079 122.820 0.284 0.000 2.767 337 A HA -0.193 4.127 4.320 0.001 0.000 0.282 337 A C 0.822 178.495 177.584 0.148 0.000 1.416 337 A CA 1.610 53.786 52.037 0.231 0.000 0.932 337 A CB -2.058 17.017 19.000 0.125 0.000 0.979 337 A HN 0.509 nan 8.150 nan 0.000 0.616 338 A N -1.459 121.381 122.820 0.032 0.000 3.219 338 A HA 0.535 4.855 4.320 0.001 0.000 0.314 338 A C -0.491 176.957 177.584 -0.227 0.000 1.081 338 A CA -0.263 51.720 52.037 -0.091 0.000 0.995 338 A CB -0.193 18.718 19.000 -0.147 0.000 1.067 338 A HN 0.749 nan 8.150 nan 0.000 0.533 339 W N 0.965 122.269 121.300 0.005 0.000 2.478 339 W HA 0.556 5.216 4.660 0.000 0.000 0.318 339 W C -2.053 174.468 176.519 0.003 0.000 1.062 339 W CA -1.812 55.535 57.345 0.003 0.000 1.210 339 W CB 0.707 30.162 29.460 -0.007 0.000 1.325 339 W HN 0.332 nan 8.180 nan 0.000 0.496 340 P HA -0.090 nan 4.420 nan 0.000 0.270 340 P C 0.341 177.731 177.300 0.149 0.000 1.221 340 P CA 0.205 63.391 63.100 0.143 0.000 0.788 340 P CB 0.981 32.758 31.700 0.129 0.000 0.904 341 D N 0.425 120.886 120.400 0.102 0.000 2.106 341 D HA -0.030 4.611 4.640 0.001 0.000 0.203 341 D C 0.056 176.415 176.300 0.098 0.000 0.977 341 D CA 0.501 54.555 54.000 0.089 0.000 0.844 341 D CB 0.003 40.843 40.800 0.066 0.000 1.002 341 D HN 0.277 nan 8.370 nan 0.000 0.461 342 R N -1.293 119.275 120.500 0.113 0.000 3.267 342 R HA -0.139 4.201 4.340 0.001 0.000 0.254 342 R C 0.950 177.344 176.300 0.156 0.000 0.993 342 R CA 0.147 56.345 56.100 0.165 0.000 0.670 342 R CB -1.693 28.730 30.300 0.205 0.000 1.125 342 R HN 0.365 nan 8.270 nan 0.000 0.434 343 G N 0.110 108.982 108.800 0.120 0.000 2.417 343 G HA2 -0.179 3.781 3.960 0.001 0.000 0.212 343 G HA3 -0.179 3.781 3.960 0.001 0.000 0.212 343 G C 0.831 175.802 174.900 0.118 0.000 1.187 343 G CA 0.758 45.914 45.100 0.093 0.000 0.804 343 G HN 0.341 nan 8.290 nan 0.000 0.534 344 D N -0.053 120.430 120.400 0.139 0.000 2.160 344 D HA -0.195 4.445 4.640 0.001 0.000 0.189 344 D C 1.834 178.282 176.300 0.247 0.000 1.003 344 D CA 1.032 55.130 54.000 0.163 0.000 0.846 344 D CB -0.525 40.374 40.800 0.165 0.000 0.949 344 D HN 0.524 nan 8.370 nan 0.000 0.446 345 W N 0.805 122.133 121.300 0.046 0.000 2.354 345 W HA -0.252 4.408 4.660 0.000 0.000 0.315 345 W C 2.269 178.836 176.519 0.080 0.000 1.206 345 W CA 0.784 58.173 57.345 0.075 0.000 1.290 345 W CB -0.430 29.080 29.460 0.082 0.000 1.152 345 W HN 0.014 nan 8.180 nan 0.000 0.489 346 C N 0.602 119.939 119.300 0.061 0.000 2.403 346 C HA -0.204 4.256 4.460 0.001 0.000 0.277 346 C C 3.032 177.971 174.990 -0.085 0.000 1.248 346 C CA 1.854 60.827 59.018 -0.075 0.000 1.762 346 C CB -1.558 26.171 27.740 -0.018 0.000 2.014 346 C HN 0.485 nan 8.230 nan 0.000 0.486 347 A N -0.276 122.529 122.820 -0.024 0.000 1.903 347 A HA -0.090 4.230 4.320 0.001 0.000 0.213 347 A C 2.031 179.590 177.584 -0.042 0.000 1.185 347 A CA 1.692 53.713 52.037 -0.027 0.000 0.628 347 A CB -0.525 18.478 19.000 0.004 0.000 0.830 347 A HN 0.482 nan 8.150 nan 0.000 0.446 348 K N 0.006 120.398 120.400 -0.015 0.000 2.281 348 K HA -0.080 4.241 4.320 0.001 0.000 0.203 348 K C 1.545 178.047 176.600 -0.163 0.000 1.046 348 K CA 1.590 57.856 56.287 -0.036 0.000 0.938 348 K CB -0.499 32.081 32.500 0.133 0.000 0.737 348 K HN 0.231 nan 8.250 nan 0.000 0.458 349 V N -0.182 119.593 119.914 -0.231 0.000 2.239 349 V HA -0.212 3.908 4.120 0.001 0.000 0.242 349 V C 1.934 178.001 176.094 -0.045 0.000 1.038 349 V CA 2.281 64.490 62.300 -0.152 0.000 1.002 349 V CB -0.680 30.954 31.823 -0.315 0.000 0.641 349 V HN 0.416 nan 8.190 nan 0.000 0.449 350 T N -0.322 114.177 114.554 -0.092 0.000 2.720 350 T HA -0.220 4.131 4.350 0.001 0.000 0.268 350 T C 1.608 176.291 174.700 -0.029 0.000 1.037 350 T CA 1.738 63.797 62.100 -0.069 0.000 1.144 350 T CB -0.395 68.427 68.868 -0.077 0.000 0.864 350 T HN 0.441 nan 8.240 nan 0.000 0.444 351 D N 1.133 121.514 120.400 -0.032 0.000 2.097 351 D HA 0.010 4.651 4.640 0.001 0.000 0.197 351 D C 2.182 178.479 176.300 -0.006 0.000 0.984 351 D CA 0.773 54.763 54.000 -0.017 0.000 0.826 351 D CB -0.335 40.450 40.800 -0.025 0.000 0.973 351 D HN 0.321 nan 8.370 nan 0.000 0.460 352 L N 0.727 121.931 121.223 -0.032 0.000 2.093 352 L HA -0.101 4.240 4.340 0.001 0.000 0.208 352 L C 2.566 179.488 176.870 0.087 0.000 1.085 352 L CA 0.937 55.761 54.840 -0.027 0.000 0.755 352 L CB -0.385 41.548 42.059 -0.209 0.000 0.904 352 L HN -0.042 nan 8.230 nan 0.000 0.435 353 A N 0.026 122.923 122.820 0.128 0.000 1.902 353 A HA -0.287 4.033 4.320 0.001 0.000 0.217 353 A C 2.219 179.887 177.584 0.140 0.000 1.181 353 A CA 1.981 54.110 52.037 0.153 0.000 0.623 353 A CB -0.510 18.554 19.000 0.107 0.000 0.818 353 A HN 0.460 nan 8.150 nan 0.000 0.443 354 Q N 0.387 120.248 119.800 0.101 0.000 2.046 354 Q HA -0.191 4.149 4.340 0.001 0.000 0.200 354 Q C 1.880 177.985 176.000 0.174 0.000 0.975 354 Q CA 2.379 58.267 55.803 0.142 0.000 0.836 354 Q CB -0.544 28.243 28.738 0.081 0.000 0.896 354 Q HN 0.723 nan 8.270 nan 0.000 0.428 355 E N -0.142 120.122 120.200 0.107 0.000 2.118 355 E HA -0.269 4.081 4.350 0.001 0.000 0.195 355 E C 2.126 178.780 176.600 0.090 0.000 0.992 355 E CA 1.182 57.630 56.400 0.080 0.000 0.804 355 E CB -0.156 29.568 29.700 0.040 0.000 0.741 355 E HN 0.411 nan 8.360 nan 0.000 0.458 356 R N -0.646 119.928 120.500 0.122 0.000 2.073 356 R HA -0.184 4.156 4.340 0.001 0.000 0.229 356 R C 2.324 178.704 176.300 0.134 0.000 1.120 356 R CA 1.421 57.595 56.100 0.123 0.000 0.967 356 R CB -0.488 29.908 30.300 0.161 0.000 0.862 356 R HN 0.280 nan 8.270 nan 0.000 0.436 357 Y N 0.970 121.316 120.300 0.077 0.000 2.081 357 Y HA -0.257 4.293 4.550 0.001 0.000 0.280 357 Y C 2.156 178.102 175.900 0.076 0.000 1.163 357 Y CA 1.979 60.145 58.100 0.110 0.000 1.135 357 Y CB -0.609 37.936 38.460 0.141 0.000 0.970 357 Y HN 0.206 nan 8.280 nan 0.000 0.498 358 A N -1.152 121.700 122.820 0.053 0.000 1.933 358 A HA -0.164 4.156 4.320 0.001 0.000 0.218 358 A C 2.463 179.989 177.584 -0.097 0.000 1.175 358 A CA 1.861 53.871 52.037 -0.044 0.000 0.628 358 A CB -1.168 17.866 19.000 0.056 0.000 0.814 358 A HN 0.491 nan 8.150 nan 0.000 0.444 359 S N -0.264 115.399 115.700 -0.063 0.000 2.382 359 S HA -0.113 4.357 4.470 0.001 0.000 0.228 359 S C 1.818 176.329 174.600 -0.149 0.000 1.027 359 S CA 1.376 59.533 58.200 -0.072 0.000 0.991 359 S CB -0.346 62.838 63.200 -0.025 0.000 0.823 359 S HN 0.493 nan 8.310 nan 0.000 0.469 360 I N 1.830 122.246 120.570 -0.256 0.000 2.202 360 I HA -0.085 4.085 4.170 0.001 0.000 0.242 360 I C 2.748 178.514 176.117 -0.584 0.000 1.091 360 I CA 1.152 62.166 61.300 -0.477 0.000 1.368 360 I CB -1.978 35.552 38.000 -0.783 0.000 1.058 360 I HN 0.203 nan 8.210 nan 0.000 0.410 361 A N 1.242 123.749 122.820 -0.521 0.000 1.903 361 A HA -0.220 4.100 4.320 0.001 0.000 0.219 361 A C 2.579 180.096 177.584 -0.112 0.000 1.191 361 A CA 2.685 54.594 52.037 -0.214 0.000 0.638 361 A CB -0.939 17.943 19.000 -0.197 0.000 0.823 361 A HN 0.449 nan 8.150 nan 0.000 0.451 362 A N -0.742 122.007 122.820 -0.118 0.000 1.873 362 A HA 0.054 4.374 4.320 0.001 0.000 0.215 362 A C 1.502 179.040 177.584 -0.077 0.000 1.186 362 A CA 1.616 53.613 52.037 -0.067 0.000 0.616 362 A CB -0.304 18.666 19.000 -0.050 0.000 0.823 362 A HN 0.434 nan 8.150 nan 0.000 0.442 363 K N -0.098 120.234 120.400 -0.113 0.000 2.185 363 K HA 0.309 4.630 4.320 0.001 0.000 0.245 363 K C 0.134 176.609 176.600 -0.208 0.000 1.035 363 K CA 1.123 57.335 56.287 -0.124 0.000 0.847 363 K CB -0.014 32.417 32.500 -0.114 0.000 1.056 363 K HN 0.450 nan 8.250 nan 0.000 0.518 364 S N -0.871 114.659 115.700 -0.284 0.000 3.828 364 S HA -0.107 4.363 4.470 0.001 0.000 0.722 364 S C -0.769 173.613 174.600 -0.364 0.000 0.508 364 S CA 0.352 58.144 58.200 -0.681 0.000 1.434 364 S CB -1.459 61.106 63.200 -1.058 0.000 0.825 364 S HN 0.611 nan 8.310 nan 0.000 1.023 365 S N 1.194 116.794 115.700 -0.167 0.000 2.462 365 S HA 0.661 5.132 4.470 0.001 0.000 0.294 365 S C 0.743 175.408 174.600 0.108 0.000 1.144 365 S CA -0.430 57.785 58.200 0.025 0.000 1.088 365 S CB 1.656 64.869 63.200 0.022 0.000 1.009 365 S HN 0.604 nan 8.310 nan 0.000 0.484 366 S N 2.957 118.772 115.700 0.193 0.000 2.679 366 S HA 0.143 4.613 4.470 0.001 0.000 0.233 366 S C 0.299 174.982 174.600 0.139 0.000 0.951 366 S CA -0.261 58.062 58.200 0.204 0.000 0.973 366 S CB -0.343 63.004 63.200 0.245 0.000 0.778 366 S HN 0.824 nan 8.310 nan 0.000 0.477 367 E N 1.180 121.452 120.200 0.121 0.000 2.129 367 E HA 0.092 4.442 4.350 0.001 0.000 0.283 367 E C -0.362 176.367 176.600 0.216 0.000 1.080 367 E CA -0.108 56.377 56.400 0.141 0.000 0.867 367 E CB 0.058 29.800 29.700 0.070 0.000 1.056 367 E HN 0.353 nan 8.360 nan 0.000 0.404 368 H N 1.035 120.122 119.070 0.028 0.000 3.049 368 H HA -0.189 4.367 4.556 0.001 0.000 0.250 368 H C -1.182 174.159 175.328 0.021 0.000 1.219 368 H CA 0.955 57.016 56.048 0.021 0.000 1.117 368 H CB -1.560 28.213 29.762 0.019 0.000 1.251 368 H HN 0.612 nan 8.280 nan 0.000 0.338 369 A N -0.272 122.602 122.820 0.090 0.000 2.472 369 A HA 0.437 4.757 4.320 0.001 0.000 0.312 369 A C -0.945 176.670 177.584 0.053 0.000 1.023 369 A CA -0.584 51.482 52.037 0.049 0.000 0.938 369 A CB 0.232 19.265 19.000 0.056 0.000 1.176 369 A HN 0.242 nan 8.150 nan 0.000 0.366 370 L N 2.780 124.016 121.223 0.022 0.000 2.513 370 L HA 0.325 4.665 4.340 0.001 0.000 0.272 370 L C 0.560 177.433 176.870 0.004 0.000 1.187 370 L CA 0.501 55.366 54.840 0.041 0.000 0.895 370 L CB 0.090 42.146 42.059 -0.004 0.000 1.147 370 L HN 0.801 nan 8.230 nan 0.000 0.483 371 H N 6.953 125.991 119.070 -0.054 0.000 2.722 371 H HA 0.224 4.780 4.556 0.000 0.000 0.328 371 H C -1.705 173.426 175.328 -0.329 0.000 1.067 371 H CA -1.293 54.608 56.048 -0.244 0.000 1.447 371 H CB 1.130 30.635 29.762 -0.430 0.000 1.469 371 H HN 0.487 nan 8.280 nan 0.000 0.544 372 P HA -0.227 nan 4.420 nan 0.000 0.218 372 P C 1.231 178.242 177.300 -0.481 0.000 1.146 372 P CA 1.227 63.880 63.100 -0.745 0.000 0.813 372 P CB -0.044 30.891 31.700 -1.275 0.000 0.778 373 F N 0.072 119.693 119.950 -0.548 0.000 2.206 373 F HA -0.133 4.394 4.527 0.001 0.000 0.298 373 F C 2.435 178.267 175.800 0.053 0.000 1.090 373 F CA 1.440 59.366 58.000 -0.123 0.000 1.323 373 F CB -0.517 38.425 39.000 -0.097 0.000 1.028 373 F HN -0.021 nan 8.300 nan 0.000 0.492 374 H N -0.770 118.323 119.070 0.039 0.000 2.421 374 H HA -0.065 4.491 4.556 0.001 0.000 0.298 374 H C 2.320 177.643 175.328 -0.008 0.000 1.087 374 H CA 0.603 56.624 56.048 -0.045 0.000 1.330 374 H CB -0.137 29.651 29.762 0.044 0.000 1.388 374 H HN 0.387 nan 8.280 nan 0.000 0.526 375 A N 0.520 123.419 122.820 0.132 0.000 1.898 375 A HA -0.160 4.160 4.320 0.001 0.000 0.216 375 A C 2.439 180.144 177.584 0.202 0.000 1.181 375 A CA 1.559 53.724 52.037 0.213 0.000 0.620 375 A CB -0.500 18.518 19.000 0.029 0.000 0.819 375 A HN 0.289 nan 8.150 nan 0.000 0.442 376 S N -0.056 115.676 115.700 0.054 0.000 2.370 376 S HA -0.238 4.233 4.470 0.001 0.000 0.226 376 S C 2.087 176.663 174.600 -0.040 0.000 1.033 376 S CA 1.682 59.905 58.200 0.038 0.000 1.011 376 S CB -0.383 62.856 63.200 0.065 0.000 0.852 376 S HN 0.704 nan 8.310 nan 0.000 0.457 377 Q N 0.446 120.135 119.800 -0.184 0.000 2.084 377 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 377 Q C 2.295 178.269 176.000 -0.043 0.000 0.978 377 Q CA 1.377 57.094 55.803 -0.143 0.000 0.844 377 Q CB -0.442 28.177 28.738 -0.200 0.000 0.898 377 Q HN 0.367 nan 8.270 nan 0.000 0.426 378 V N 0.995 120.913 119.914 0.007 0.000 2.324 378 V HA -0.292 3.828 4.120 0.001 0.000 0.250 378 V C 2.080 178.166 176.094 -0.013 0.000 1.060 378 V CA 1.737 64.021 62.300 -0.026 0.000 1.042 378 V CB -0.506 31.288 31.823 -0.047 0.000 0.650 378 V HN 0.347 nan 8.190 nan 0.000 0.450 379 I N 0.304 120.894 120.570 0.034 0.000 2.163 379 I HA -0.183 3.987 4.170 0.001 0.000 0.240 379 I C 2.717 178.862 176.117 0.047 0.000 1.081 379 I CA 1.371 62.703 61.300 0.053 0.000 1.353 379 I CB -0.708 37.353 38.000 0.103 0.000 1.054 379 I HN 0.257 nan 8.210 nan 0.000 0.407 380 A N 0.830 123.659 122.820 0.014 0.000 1.927 380 A HA -0.282 4.039 4.320 0.001 0.000 0.220 380 A C 2.254 179.807 177.584 -0.053 0.000 1.185 380 A CA 1.879 53.904 52.037 -0.020 0.000 0.639 380 A CB -0.633 18.348 19.000 -0.031 0.000 0.820 380 A HN 0.355 nan 8.150 nan 0.000 0.451 381 K N -1.202 119.144 120.400 -0.090 0.000 2.442 381 K HA -0.127 4.193 4.320 0.001 0.000 0.198 381 K C 0.943 177.343 176.600 -0.334 0.000 1.044 381 K CA 1.130 57.290 56.287 -0.210 0.000 0.948 381 K CB -0.197 32.137 32.500 -0.276 0.000 0.762 381 K HN 0.690 nan 8.250 nan 0.000 0.472 382 H N -0.852 118.163 119.070 -0.091 0.000 2.652 382 H HA 0.120 4.676 4.556 0.000 0.000 0.274 382 H C -0.293 174.995 175.328 -0.067 0.000 1.021 382 H CA 0.018 56.014 56.048 -0.088 0.000 1.187 382 H CB 0.717 30.413 29.762 -0.110 0.000 1.505 382 H HN -0.161 nan 8.280 nan 0.000 0.530 383 V N 3.944 123.868 119.914 0.017 0.000 2.334 383 V HA 0.088 4.208 4.120 0.001 0.000 0.267 383 V C -0.033 176.045 176.094 -0.028 0.000 1.040 383 V CA -0.360 61.940 62.300 0.000 0.000 0.866 383 V CB 0.872 32.691 31.823 -0.007 0.000 1.019 383 V HN 0.448 nan 8.190 nan 0.000 0.468 384 D N 4.175 124.562 120.400 -0.021 0.000 2.758 384 D HA 0.600 5.240 4.640 0.001 0.000 0.262 384 D C 0.932 177.218 176.300 -0.023 0.000 1.113 384 D CA -0.142 53.839 54.000 -0.031 0.000 1.114 384 D CB 1.447 42.228 40.800 -0.032 0.000 1.363 384 D HN 0.314 nan 8.370 nan 0.000 0.617 385 A N -1.076 121.728 122.820 -0.026 0.000 2.239 385 A HA 0.318 4.639 4.320 0.001 0.000 0.209 385 A C 1.527 179.100 177.584 -0.018 0.000 1.171 385 A CA 0.862 52.885 52.037 -0.023 0.000 0.768 385 A CB -1.061 17.923 19.000 -0.027 0.000 0.790 385 A HN 0.594 nan 8.150 nan 0.000 0.478 386 G N -0.838 107.953 108.800 -0.015 0.000 3.605 386 G HA2 0.450 4.410 3.960 0.001 0.000 0.277 386 G HA3 0.450 4.410 3.960 0.001 0.000 0.277 386 G C -0.408 174.486 174.900 -0.009 0.000 1.093 386 G CA 0.086 45.178 45.100 -0.013 0.000 0.821 386 G HN 0.177 nan 8.290 nan 0.000 0.532 387 V N 0.594 120.504 119.914 -0.006 0.000 2.623 387 V HA 0.406 4.526 4.120 0.001 0.000 0.304 387 V C -0.324 175.774 176.094 0.006 0.000 1.054 387 V CA -0.632 61.667 62.300 -0.001 0.000 0.882 387 V CB 2.047 33.874 31.823 0.006 0.000 1.002 387 V HN 0.134 nan 8.190 nan 0.000 0.424 388 T N 4.319 118.873 114.554 -0.000 0.000 2.806 388 T HA 0.557 4.908 4.350 0.001 0.000 0.290 388 T C -0.233 174.473 174.700 0.011 0.000 0.966 388 T CA -0.290 61.812 62.100 0.004 0.000 1.060 388 T CB 1.484 70.336 68.868 -0.027 0.000 0.927 388 T HN 0.351 nan 8.240 nan 0.000 0.485 389 V N 4.234 124.183 119.914 0.058 0.000 2.459 389 V HA 0.445 4.565 4.120 0.001 0.000 0.295 389 V C -0.072 175.988 176.094 -0.057 0.000 1.029 389 V CA -0.707 61.631 62.300 0.063 0.000 0.874 389 V CB 1.768 33.727 31.823 0.226 0.000 0.985 389 V HN 0.701 nan 8.190 nan 0.000 0.438 390 V N 3.740 123.572 119.914 -0.137 0.000 2.483 390 V HA 0.855 4.976 4.120 0.001 0.000 0.295 390 V C 0.291 176.219 176.094 -0.275 0.000 1.035 390 V CA -0.511 61.624 62.300 -0.273 0.000 0.896 390 V CB 1.663 33.340 31.823 -0.243 0.000 0.986 390 V HN 0.986 nan 8.190 nan 0.000 0.447 391 A N 2.933 125.496 122.820 -0.428 0.000 2.355 391 A HA 0.833 5.154 4.320 0.001 0.000 0.317 391 A C -0.817 176.480 177.584 -0.478 0.000 1.094 391 A CA -0.365 51.475 52.037 -0.328 0.000 0.764 391 A CB 1.622 20.467 19.000 -0.257 0.000 1.230 391 A HN 0.791 nan 8.150 nan 0.000 0.448 392 D N 0.078 120.303 120.400 -0.293 0.000 2.781 392 D HA 0.599 5.240 4.640 0.001 0.000 0.295 392 D C 0.951 177.322 176.300 0.119 0.000 1.143 392 D CA 0.799 54.628 54.000 -0.286 0.000 1.076 392 D CB 1.589 42.273 40.800 -0.194 0.000 1.444 392 D HN 1.433 nan 8.370 nan 0.000 0.567 393 G N -0.257 108.717 108.800 0.291 0.000 2.199 393 G HA2 0.054 4.015 3.960 0.001 0.000 0.254 393 G HA3 0.054 4.015 3.960 0.001 0.000 0.254 393 G C 1.014 176.104 174.900 0.317 0.000 0.982 393 G CA 1.226 46.494 45.100 0.280 0.000 0.632 393 G HN 1.656 nan 8.290 nan 0.000 0.529 394 A N -0.996 122.130 122.820 0.511 0.000 4.979 394 A HA -0.310 4.011 4.320 0.001 0.000 0.303 394 A C 1.816 179.267 177.584 -0.221 0.000 2.031 394 A CA 2.292 54.403 52.037 0.124 0.000 0.714 394 A CB -1.660 17.402 19.000 0.104 0.000 1.259 394 A HN 1.290 nan 8.150 nan 0.000 0.355 395 L N -0.454 120.699 121.223 -0.116 0.000 1.997 395 L HA -0.253 4.087 4.340 0.001 0.000 0.216 395 L C 2.808 179.697 176.870 0.032 0.000 1.074 395 L CA 2.758 57.528 54.840 -0.117 0.000 0.763 395 L CB -1.089 40.958 42.059 -0.020 0.000 0.890 395 L HN 0.897 nan 8.230 nan 0.000 0.434 396 T N -0.620 114.009 114.554 0.125 0.000 2.653 396 T HA -0.307 4.043 4.350 0.001 0.000 0.267 396 T C 1.564 176.378 174.700 0.191 0.000 1.037 396 T CA 2.511 64.720 62.100 0.181 0.000 1.159 396 T CB -0.583 68.371 68.868 0.142 0.000 0.859 396 T HN 0.604 nan 8.240 nan 0.000 0.449 397 Y N 0.742 121.101 120.300 0.098 0.000 2.397 397 Y HA 0.347 4.898 4.550 0.001 0.000 0.292 397 Y C 1.951 177.891 175.900 0.067 0.000 1.115 397 Y CA 0.011 58.146 58.100 0.059 0.000 1.208 397 Y CB -0.829 37.613 38.460 -0.030 0.000 1.046 397 Y HN 0.111 nan 8.280 nan 0.000 0.552 398 L N -0.799 120.076 121.223 -0.581 0.000 2.012 398 L HA -0.220 4.120 4.340 0.001 0.000 0.210 398 L C 2.266 179.038 176.870 -0.165 0.000 1.073 398 L CA 2.084 56.657 54.840 -0.444 0.000 0.748 398 L CB -0.713 40.968 42.059 -0.631 0.000 0.891 398 L HN 0.349 nan 8.230 nan 0.000 0.431 399 W N -0.455 120.852 121.300 0.012 0.000 2.354 399 W HA -0.220 4.440 4.660 0.000 0.000 0.315 399 W C 2.433 179.063 176.519 0.186 0.000 1.206 399 W CA 0.281 57.703 57.345 0.128 0.000 1.290 399 W CB -0.497 29.029 29.460 0.110 0.000 1.152 399 W HN 0.039 nan 8.180 nan 0.000 0.489 400 L N 1.140 122.598 121.223 0.393 0.000 2.043 400 L HA -0.310 4.030 4.340 0.001 0.000 0.212 400 L C 2.709 179.733 176.870 0.257 0.000 1.075 400 L CA 2.568 57.586 54.840 0.297 0.000 0.752 400 L CB -1.142 41.079 42.059 0.269 0.000 0.891 400 L HN 0.050 nan 8.230 nan 0.000 0.432 401 S N -1.561 114.294 115.700 0.258 0.000 2.400 401 S HA -0.192 4.279 4.470 0.001 0.000 0.232 401 S C 1.781 176.510 174.600 0.215 0.000 1.025 401 S CA 1.128 59.460 58.200 0.219 0.000 0.993 401 S CB -0.651 62.731 63.200 0.303 0.000 0.808 401 S HN 0.558 nan 8.310 nan 0.000 0.478 402 E N 1.357 121.738 120.200 0.300 0.000 2.204 402 E HA -0.065 4.285 4.350 0.001 0.000 0.195 402 E C 2.287 179.174 176.600 0.478 0.000 0.990 402 E CA 1.433 58.069 56.400 0.393 0.000 0.821 402 E CB -0.528 29.469 29.700 0.496 0.000 0.750 402 E HN 0.774 nan 8.360 nan 0.000 0.477 403 V N -2.567 117.580 119.914 0.389 0.000 3.608 403 V HA 0.074 4.194 4.120 0.001 0.000 0.269 403 V C 1.848 177.973 176.094 0.052 0.000 1.245 403 V CA 0.359 62.824 62.300 0.276 0.000 1.138 403 V CB -0.075 31.839 31.823 0.152 0.000 0.841 403 V HN 0.004 nan 8.190 nan 0.000 0.451 404 M N 0.376 119.977 119.600 0.002 0.000 2.334 404 M HA 0.072 4.552 4.480 0.001 0.000 0.266 404 M C 2.318 178.507 176.300 -0.184 0.000 1.082 404 M CA 1.170 56.364 55.300 -0.176 0.000 1.141 404 M CB -0.797 31.553 32.600 -0.416 0.000 1.380 404 M HN 0.483 nan 8.290 nan 0.000 0.440 405 S N 0.718 116.358 115.700 -0.099 0.000 2.420 405 S HA -0.104 4.366 4.470 0.001 0.000 0.237 405 S C 1.457 175.972 174.600 -0.141 0.000 1.023 405 S CA 1.110 59.252 58.200 -0.096 0.000 0.991 405 S CB -0.250 62.935 63.200 -0.024 0.000 0.792 405 S HN 0.468 nan 8.310 nan 0.000 0.488 406 R N 1.025 121.419 120.500 -0.176 0.000 2.555 406 R HA 0.204 4.545 4.340 0.001 0.000 0.272 406 R C -0.287 175.901 176.300 -0.187 0.000 1.089 406 R CA -0.075 55.886 56.100 -0.230 0.000 1.126 406 R CB 0.011 30.060 30.300 -0.419 0.000 1.250 406 R HN 0.319 nan 8.270 nan 0.000 0.551 407 V N -3.564 116.257 119.914 -0.155 0.000 3.232 407 V HA 0.436 4.556 4.120 0.001 0.000 0.303 407 V C -1.198 174.827 176.094 -0.115 0.000 1.311 407 V CA -1.446 60.777 62.300 -0.127 0.000 1.061 407 V CB 2.475 34.230 31.823 -0.113 0.000 1.085 407 V HN -0.002 nan 8.190 nan 0.000 0.447 408 K N 2.515 122.861 120.400 -0.091 0.000 2.533 408 K HA 0.464 4.784 4.320 0.001 0.000 0.207 408 K C -2.799 173.768 176.600 -0.054 0.000 1.052 408 K CA -1.506 54.736 56.287 -0.076 0.000 1.030 408 K CB 1.035 33.494 32.500 -0.068 0.000 1.522 408 K HN 0.587 nan 8.250 nan 0.000 0.543 409 P HA -0.010 nan 4.420 nan 0.000 0.272 409 P C 0.746 178.044 177.300 -0.004 0.000 1.223 409 P CA -0.027 63.065 63.100 -0.013 0.000 0.784 409 P CB 1.189 32.899 31.700 0.016 0.000 0.923 410 G N 1.437 110.236 108.800 -0.001 0.000 2.432 410 G HA2 0.104 4.064 3.960 0.001 0.000 0.219 410 G HA3 0.104 4.064 3.960 0.001 0.000 0.219 410 G C 0.687 175.590 174.900 0.004 0.000 1.135 410 G CA 0.781 45.877 45.100 -0.006 0.000 0.767 410 G HN 0.821 nan 8.290 nan 0.000 0.550 411 G N -1.904 106.915 108.800 0.031 0.000 2.704 411 G HA2 0.485 4.445 3.960 0.001 0.000 0.293 411 G HA3 0.485 4.445 3.960 0.001 0.000 0.293 411 G C -2.101 172.895 174.900 0.160 0.000 1.421 411 G CA -0.768 44.363 45.100 0.052 0.000 0.870 411 G HN 0.157 nan 8.290 nan 0.000 0.492 412 F N 1.639 121.557 119.950 -0.053 0.000 2.745 412 F HA 0.570 5.098 4.527 0.000 0.000 0.343 412 F C -1.040 174.711 175.800 -0.080 0.000 1.196 412 F CA -1.247 56.717 58.000 -0.060 0.000 1.021 412 F CB 1.281 40.261 39.000 -0.033 0.000 1.297 412 F HN 0.308 nan 8.300 nan 0.000 0.486 413 L N 6.822 127.691 121.223 -0.590 0.000 2.295 413 L HA 0.545 4.885 4.340 0.001 0.000 0.281 413 L C -0.343 176.069 176.870 -0.763 0.000 1.018 413 L CA -0.616 53.907 54.840 -0.528 0.000 0.841 413 L CB 1.081 42.951 42.059 -0.315 0.000 1.218 413 L HN 0.630 nan 8.230 nan 0.000 0.424 414 C N 1.559 120.396 119.300 -0.771 0.000 2.913 414 C HA 0.488 4.948 4.460 0.001 0.000 0.322 414 C C 0.372 175.023 174.990 -0.564 0.000 1.292 414 C CA -0.545 57.963 59.018 -0.851 0.000 1.649 414 C CB 1.567 28.631 27.740 -1.127 0.000 2.139 414 C HN 0.839 nan 8.230 nan 0.000 0.475 415 H N 0.814 119.558 119.070 -0.544 0.000 3.094 415 H HA 0.310 4.867 4.556 0.001 0.000 0.320 415 H C 0.953 176.165 175.328 -0.193 0.000 1.000 415 H CA 1.352 57.182 56.048 -0.363 0.000 1.413 415 H CB 0.575 30.090 29.762 -0.412 0.000 1.405 415 H HN 0.846 nan 8.280 nan 0.000 0.586 416 G N 1.390 110.182 108.800 -0.014 0.000 2.714 416 G HA2 -0.052 3.908 3.960 0.001 0.000 0.197 416 G HA3 -0.052 3.908 3.960 0.001 0.000 0.197 416 G C -0.008 174.903 174.900 0.018 0.000 1.449 416 G CA -0.385 44.659 45.100 -0.093 0.000 1.065 416 G HN 0.608 nan 8.290 nan 0.000 0.575 417 Y N -0.626 119.681 120.300 0.011 0.000 2.373 417 Y HA 0.042 4.593 4.550 0.001 0.000 0.293 417 Y C 2.550 178.457 175.900 0.011 0.000 1.129 417 Y CA 0.024 58.133 58.100 0.014 0.000 1.226 417 Y CB -0.644 37.821 38.460 0.008 0.000 1.000 417 Y HN 0.211 nan 8.280 nan 0.000 0.549 418 L N 0.213 121.525 121.223 0.149 0.000 2.141 418 L HA 0.080 4.420 4.340 0.001 0.000 0.209 418 L C 1.712 178.581 176.870 -0.002 0.000 1.094 418 L CA 1.568 56.455 54.840 0.079 0.000 0.763 418 L CB -0.913 41.185 42.059 0.065 0.000 0.908 418 L HN 0.322 nan 8.230 nan 0.000 0.437 419 G N 0.277 109.050 108.800 -0.045 0.000 2.371 419 G HA2 -0.312 3.649 3.960 0.001 0.000 0.299 419 G HA3 -0.312 3.649 3.960 0.001 0.000 0.299 419 G C 0.312 174.987 174.900 -0.375 0.000 1.014 419 G CA 0.672 45.627 45.100 -0.243 0.000 1.097 419 G HN 0.531 nan 8.290 nan 0.000 0.512 420 S N 0.673 116.199 115.700 -0.290 0.000 2.430 420 S HA 0.597 5.067 4.470 0.001 0.000 0.289 420 S C 1.083 175.497 174.600 -0.311 0.000 1.143 420 S CA -0.825 57.220 58.200 -0.258 0.000 1.067 420 S CB 0.082 63.191 63.200 -0.151 0.000 0.964 420 S HN 0.326 nan 8.310 nan 0.000 0.485 421 M N 4.017 123.415 119.600 -0.338 0.000 2.246 421 M HA 0.228 4.709 4.480 0.001 0.000 0.350 421 M C 1.497 177.435 176.300 -0.605 0.000 1.406 421 M CA 0.758 55.917 55.300 -0.235 0.000 1.089 421 M CB -0.302 32.286 32.600 -0.019 0.000 1.782 421 M HN 1.019 nan 8.290 nan 0.000 0.457 422 G N 2.002 110.627 108.800 -0.291 0.000 2.211 422 G HA2 -0.216 3.744 3.960 0.001 0.000 0.201 422 G HA3 -0.216 3.744 3.960 0.001 0.000 0.201 422 G C 0.468 175.223 174.900 -0.241 0.000 0.997 422 G CA 0.230 45.151 45.100 -0.299 0.000 0.652 422 G HN 0.728 nan 8.290 nan 0.000 0.500 423 V N 0.008 119.708 119.914 -0.357 0.000 2.970 423 V HA 0.336 4.457 4.120 0.001 0.000 0.260 423 V C 2.491 178.338 176.094 -0.411 0.000 1.100 423 V CA 2.166 64.064 62.300 -0.671 0.000 1.122 423 V CB -0.802 30.526 31.823 -0.825 0.000 0.721 423 V HN 0.950 nan 8.190 nan 0.000 0.483 424 G N -0.330 108.318 108.800 -0.253 0.000 2.440 424 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 424 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 424 G C 1.325 176.149 174.900 -0.127 0.000 1.154 424 G CA 1.228 46.193 45.100 -0.225 0.000 0.767 424 G HN 0.500 nan 8.290 nan 0.000 0.552 425 F N 2.204 122.046 119.950 -0.180 0.000 2.046 425 F HA 0.011 4.538 4.527 0.000 0.000 0.297 425 F C 2.765 178.481 175.800 -0.141 0.000 1.123 425 F CA 1.426 59.327 58.000 -0.166 0.000 1.199 425 F CB -0.804 38.095 39.000 -0.169 0.000 0.972 425 F HN 0.139 nan 8.300 nan 0.000 0.474 426 G N -1.449 107.458 108.800 0.177 0.000 2.418 426 G HA2 -0.241 3.720 3.960 0.001 0.000 0.217 426 G HA3 -0.241 3.720 3.960 0.001 0.000 0.217 426 G C 1.677 176.590 174.900 0.022 0.000 1.158 426 G CA 1.420 46.584 45.100 0.107 0.000 0.771 426 G HN 0.380 nan 8.290 nan 0.000 0.545 427 T N 1.741 116.276 114.554 -0.032 0.000 2.635 427 T HA -0.090 4.260 4.350 0.001 0.000 0.267 427 T C 2.796 177.436 174.700 -0.100 0.000 1.040 427 T CA 1.788 63.831 62.100 -0.095 0.000 1.156 427 T CB -0.434 68.335 68.868 -0.165 0.000 0.863 427 T HN 0.384 nan 8.240 nan 0.000 0.430 428 A N 0.809 123.568 122.820 -0.102 0.000 1.969 428 A HA 0.099 4.419 4.320 0.001 0.000 0.218 428 A C 2.279 179.837 177.584 -0.044 0.000 1.169 428 A CA 1.069 53.043 52.037 -0.106 0.000 0.635 428 A CB -0.725 18.173 19.000 -0.171 0.000 0.810 428 A HN 0.523 nan 8.150 nan 0.000 0.445 429 L N -0.841 120.388 121.223 0.010 0.000 2.109 429 L HA 0.002 4.343 4.340 0.001 0.000 0.207 429 L C 2.331 179.233 176.870 0.052 0.000 1.086 429 L CA 1.443 56.324 54.840 0.068 0.000 0.760 429 L CB -0.448 41.690 42.059 0.133 0.000 0.910 429 L HN 0.373 nan 8.230 nan 0.000 0.437 430 G N -0.913 107.846 108.800 -0.067 0.000 2.394 430 G HA2 -0.200 3.760 3.960 0.001 0.000 0.215 430 G HA3 -0.200 3.760 3.960 0.001 0.000 0.215 430 G C 1.660 176.582 174.900 0.037 0.000 1.165 430 G CA 0.597 45.595 45.100 -0.169 0.000 0.784 430 G HN 0.537 nan 8.290 nan 0.000 0.535 431 A N 0.603 123.409 122.820 -0.024 0.000 1.903 431 A HA -0.260 4.060 4.320 0.001 0.000 0.219 431 A C 2.321 179.907 177.584 0.005 0.000 1.191 431 A CA 2.582 54.603 52.037 -0.027 0.000 0.638 431 A CB -0.614 18.348 19.000 -0.064 0.000 0.823 431 A HN 0.424 nan 8.150 nan 0.000 0.451 432 Q N -0.309 119.505 119.800 0.023 0.000 2.124 432 Q HA -0.092 4.248 4.340 0.001 0.000 0.202 432 Q C 1.849 177.889 176.000 0.066 0.000 0.977 432 Q CA 1.934 57.759 55.803 0.036 0.000 0.850 432 Q CB -0.659 28.105 28.738 0.043 0.000 0.901 432 Q HN 0.364 nan 8.270 nan 0.000 0.429 433 V N 0.508 120.502 119.914 0.134 0.000 2.287 433 V HA -0.305 3.815 4.120 0.001 0.000 0.248 433 V C 2.242 178.372 176.094 0.061 0.000 1.053 433 V CA 1.914 64.297 62.300 0.138 0.000 1.027 433 V CB -1.216 30.775 31.823 0.280 0.000 0.646 433 V HN 0.533 nan 8.190 nan 0.000 0.447 434 A N -0.443 122.418 122.820 0.069 0.000 1.898 434 A HA -0.227 4.093 4.320 0.001 0.000 0.216 434 A C 1.997 179.523 177.584 -0.097 0.000 1.181 434 A CA 1.862 53.807 52.037 -0.153 0.000 0.620 434 A CB -0.584 18.192 19.000 -0.373 0.000 0.819 434 A HN 0.539 nan 8.150 nan 0.000 0.442 435 D N -0.193 120.177 120.400 -0.050 0.000 2.144 435 D HA -0.119 4.521 4.640 0.001 0.000 0.199 435 D C 1.762 178.053 176.300 -0.015 0.000 0.984 435 D CA 0.828 54.808 54.000 -0.034 0.000 0.834 435 D CB -0.333 40.454 40.800 -0.021 0.000 0.955 435 D HN 0.236 nan 8.370 nan 0.000 0.465 436 L N 1.421 122.645 121.223 0.002 0.000 2.043 436 L HA -0.215 4.125 4.340 0.001 0.000 0.212 436 L C 2.269 179.148 176.870 0.016 0.000 1.075 436 L CA 1.691 56.541 54.840 0.017 0.000 0.752 436 L CB -0.908 41.172 42.059 0.035 0.000 0.891 436 L HN 0.263 nan 8.230 nan 0.000 0.432 437 E N -1.392 118.811 120.200 0.006 0.000 2.208 437 E HA -0.075 4.276 4.350 0.001 0.000 0.193 437 E C 1.693 178.293 176.600 0.000 0.000 0.988 437 E CA 0.991 57.401 56.400 0.017 0.000 0.828 437 E CB -0.293 29.426 29.700 0.032 0.000 0.763 437 E HN 0.416 nan 8.360 nan 0.000 0.478 438 A N 0.956 123.765 122.820 -0.017 0.000 2.308 438 A HA 0.437 4.757 4.320 0.001 0.000 0.217 438 A C 1.833 179.410 177.584 -0.012 0.000 1.216 438 A CA 0.421 52.446 52.037 -0.020 0.000 0.864 438 A CB -0.273 18.705 19.000 -0.037 0.000 0.902 438 A HN 0.394 nan 8.150 nan 0.000 0.499 439 G N -0.275 108.523 108.800 -0.004 0.000 2.196 439 G HA2 -0.314 3.646 3.960 0.001 0.000 0.268 439 G HA3 -0.314 3.646 3.960 0.001 0.000 0.268 439 G C 0.589 175.487 174.900 -0.004 0.000 0.975 439 G CA 0.788 45.888 45.100 -0.001 0.000 0.648 439 G HN 0.650 nan 8.290 nan 0.000 0.538 440 R N -0.791 119.703 120.500 -0.010 0.000 2.571 440 R HA 0.714 5.054 4.340 0.001 0.000 0.259 440 R C 0.434 176.731 176.300 -0.006 0.000 1.226 440 R CA -0.335 55.759 56.100 -0.011 0.000 1.157 440 R CB 0.436 30.725 30.300 -0.018 0.000 1.220 440 R HN 0.227 nan 8.270 nan 0.000 0.605 441 R N -0.481 120.016 120.500 -0.006 0.000 2.604 441 R HA 0.266 4.606 4.340 0.001 0.000 0.281 441 R C -1.669 174.626 176.300 -0.009 0.000 1.020 441 R CA -0.245 55.853 56.100 -0.003 0.000 0.899 441 R CB 2.015 32.313 30.300 -0.004 0.000 1.205 441 R HN 0.596 nan 8.270 nan 0.000 0.450 442 T N 4.668 119.216 114.554 -0.010 0.000 2.824 442 T HA 0.565 4.915 4.350 0.001 0.000 0.280 442 T C -0.137 174.544 174.700 -0.032 0.000 0.995 442 T CA -0.446 61.639 62.100 -0.024 0.000 1.009 442 T CB 0.748 69.598 68.868 -0.030 0.000 0.955 442 T HN 0.392 nan 8.240 nan 0.000 0.452 443 I N 3.224 123.772 120.570 -0.037 0.000 2.465 443 I HA 0.415 4.586 4.170 0.001 0.000 0.291 443 I C -1.073 175.003 176.117 -0.068 0.000 1.014 443 I CA -1.108 60.167 61.300 -0.042 0.000 1.093 443 I CB 1.978 39.966 38.000 -0.021 0.000 1.267 443 I HN 0.355 nan 8.210 nan 0.000 0.431 444 L N 8.643 129.802 121.223 -0.107 0.000 2.296 444 L HA 0.583 4.924 4.340 0.001 0.000 0.286 444 L C -0.961 175.846 176.870 -0.106 0.000 1.023 444 L CA -0.324 54.421 54.840 -0.157 0.000 0.812 444 L CB 1.559 43.444 42.059 -0.289 0.000 1.223 444 L HN 0.289 nan 8.230 nan 0.000 0.421 445 V N 4.702 124.570 119.914 -0.076 0.000 2.334 445 V HA 0.648 4.768 4.120 0.001 0.000 0.281 445 V C 0.206 176.274 176.094 -0.043 0.000 1.016 445 V CA -0.275 62.013 62.300 -0.021 0.000 0.832 445 V CB 0.934 32.789 31.823 0.054 0.000 0.999 445 V HN 0.923 nan 8.190 nan 0.000 0.439 446 T N 3.197 117.724 114.554 -0.046 0.000 2.865 446 T HA 0.757 5.108 4.350 0.001 0.000 0.294 446 T C 0.270 174.960 174.700 -0.017 0.000 1.119 446 T CA 0.203 62.281 62.100 -0.038 0.000 1.007 446 T CB 1.925 70.742 68.868 -0.086 0.000 1.225 446 T HN 0.866 nan 8.240 nan 0.000 0.515 447 G N 0.378 109.185 108.800 0.012 0.000 2.547 447 G HA2 0.357 4.318 3.960 0.001 0.000 0.291 447 G HA3 0.357 4.318 3.960 0.001 0.000 0.291 447 G C 0.687 175.511 174.900 -0.127 0.000 1.211 447 G CA -0.080 45.008 45.100 -0.021 0.000 0.950 447 G HN 0.815 nan 8.290 nan 0.000 0.504 448 D N -0.712 119.576 120.400 -0.187 0.000 2.234 448 D HA -0.045 4.595 4.640 0.001 0.000 0.205 448 D C 2.141 178.203 176.300 -0.397 0.000 0.962 448 D CA 0.989 54.771 54.000 -0.364 0.000 0.855 448 D CB -0.747 39.929 40.800 -0.207 0.000 0.951 448 D HN 0.461 nan 8.370 nan 0.000 0.500 449 G N 1.069 109.611 108.800 -0.429 0.000 2.484 449 G HA2 -0.282 3.678 3.960 0.001 0.000 0.215 449 G HA3 -0.282 3.678 3.960 0.001 0.000 0.215 449 G C 1.850 176.692 174.900 -0.096 0.000 1.219 449 G CA 1.463 46.072 45.100 -0.819 0.000 0.791 449 G HN 0.335 nan 8.290 nan 0.000 0.550 450 S N -0.180 115.621 115.700 0.168 0.000 2.359 450 S HA -0.152 4.319 4.470 0.001 0.000 0.224 450 S C 2.342 177.109 174.600 0.279 0.000 1.035 450 S CA 1.146 59.544 58.200 0.331 0.000 1.018 450 S CB -0.591 62.720 63.200 0.185 0.000 0.876 450 S HN 0.159 nan 8.310 nan 0.000 0.448 451 V N 1.991 121.950 119.914 0.076 0.000 2.469 451 V HA -0.162 3.958 4.120 0.001 0.000 0.251 451 V C 2.241 178.433 176.094 0.163 0.000 1.064 451 V CA 2.013 64.371 62.300 0.097 0.000 1.066 451 V CB -1.104 30.680 31.823 -0.065 0.000 0.667 451 V HN 0.594 nan 8.190 nan 0.000 0.461 452 G N -2.345 106.512 108.800 0.095 0.000 2.509 452 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 452 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 452 G C 1.245 176.193 174.900 0.080 0.000 1.124 452 G CA 0.694 45.855 45.100 0.102 0.000 0.776 452 G HN 0.578 nan 8.290 nan 0.000 0.547 453 Y N 1.722 122.081 120.300 0.099 0.000 2.165 453 Y HA -0.085 4.465 4.550 0.000 0.000 0.286 453 Y C 2.118 177.999 175.900 -0.032 0.000 1.155 453 Y CA 1.738 59.871 58.100 0.055 0.000 1.164 453 Y CB 0.293 38.784 38.460 0.052 0.000 0.978 453 Y HN 0.166 nan 8.280 nan 0.000 0.513 454 S N -1.300 114.449 115.700 0.081 0.000 2.977 454 S HA 0.168 4.638 4.470 0.001 0.000 0.250 454 S C 1.085 175.401 174.600 -0.473 0.000 1.005 454 S CA -0.347 57.748 58.200 -0.175 0.000 1.081 454 S CB -0.218 62.855 63.200 -0.211 0.000 1.018 454 S HN 0.335 nan 8.310 nan 0.000 0.539 455 I N 2.375 122.843 120.570 -0.171 0.000 2.454 455 I HA -0.123 4.048 4.170 0.001 0.000 0.254 455 I C 2.291 178.299 176.117 -0.183 0.000 1.156 455 I CA 1.191 62.453 61.300 -0.064 0.000 1.433 455 I CB -0.223 37.950 38.000 0.287 0.000 1.082 455 I HN 0.531 nan 8.210 nan 0.000 0.432 456 G N 0.060 108.719 108.800 -0.234 0.000 2.499 456 G HA2 -0.254 3.707 3.960 0.001 0.000 0.221 456 G HA3 -0.254 3.707 3.960 0.001 0.000 0.221 456 G C 1.364 175.842 174.900 -0.704 0.000 1.109 456 G CA 0.485 45.316 45.100 -0.449 0.000 0.749 456 G HN 0.342 nan 8.290 nan 0.000 0.568 457 E N 0.388 120.109 120.200 -0.798 0.000 2.333 457 E HA -0.050 4.300 4.350 0.001 0.000 0.198 457 E C 1.888 178.136 176.600 -0.587 0.000 1.007 457 E CA 0.128 56.045 56.400 -0.805 0.000 0.845 457 E CB -0.444 28.591 29.700 -1.108 0.000 0.766 457 E HN 0.628 nan 8.360 nan 0.000 0.507 458 F N 1.032 120.745 119.950 -0.395 0.000 2.250 458 F HA -0.214 4.313 4.527 0.000 0.000 0.301 458 F C 2.179 177.882 175.800 -0.163 0.000 1.077 458 F CA 1.284 59.256 58.000 -0.047 0.000 1.348 458 F CB -0.178 38.911 39.000 0.149 0.000 1.040 458 F HN 0.060 nan 8.300 nan 0.000 0.509 459 D N -0.377 119.786 120.400 -0.394 0.000 2.117 459 D HA -0.147 4.493 4.640 0.001 0.000 0.197 459 D C 2.026 178.288 176.300 -0.063 0.000 0.987 459 D CA 1.865 55.710 54.000 -0.259 0.000 0.829 459 D CB -0.129 40.373 40.800 -0.496 0.000 0.961 459 D HN 0.103 nan 8.370 nan 0.000 0.460 460 T N 0.177 114.669 114.554 -0.103 0.000 2.770 460 T HA -0.076 4.274 4.350 0.001 0.000 0.263 460 T C 1.761 176.491 174.700 0.050 0.000 1.039 460 T CA 0.439 62.528 62.100 -0.018 0.000 1.142 460 T CB -0.278 68.569 68.868 -0.036 0.000 0.868 460 T HN 0.044 nan 8.240 nan 0.000 0.435 461 L N 1.261 122.531 121.223 0.077 0.000 2.034 461 L HA -0.150 4.190 4.340 0.001 0.000 0.217 461 L C 2.599 179.553 176.870 0.139 0.000 1.077 461 L CA 1.542 56.468 54.840 0.142 0.000 0.769 461 L CB -1.283 40.913 42.059 0.229 0.000 0.890 461 L HN 0.158 nan 8.230 nan 0.000 0.435 462 V N -1.147 118.854 119.914 0.145 0.000 2.283 462 V HA -0.238 3.883 4.120 0.001 0.000 0.243 462 V C 2.587 178.740 176.094 0.098 0.000 1.039 462 V CA 1.582 63.961 62.300 0.131 0.000 1.016 462 V CB -0.553 31.364 31.823 0.157 0.000 0.650 462 V HN 0.378 nan 8.190 nan 0.000 0.449 463 R N 0.469 121.019 120.500 0.084 0.000 2.105 463 R HA -0.121 4.220 4.340 0.001 0.000 0.239 463 R C 1.718 178.057 176.300 0.064 0.000 1.135 463 R CA 1.142 57.283 56.100 0.068 0.000 0.967 463 R CB -0.119 30.215 30.300 0.057 0.000 0.861 463 R HN 0.385 nan 8.270 nan 0.000 0.442 464 K N 0.589 121.031 120.400 0.070 0.000 2.372 464 K HA 0.081 4.402 4.320 0.001 0.000 0.200 464 K C -0.307 176.338 176.600 0.075 0.000 1.022 464 K CA 0.069 56.396 56.287 0.067 0.000 1.125 464 K CB 0.535 33.077 32.500 0.070 0.000 0.855 464 K HN 0.224 nan 8.250 nan 0.000 0.524 465 Q N 1.072 120.920 119.800 0.081 0.000 2.448 465 Q HA -0.178 4.163 4.340 0.001 0.000 0.356 465 Q C -0.861 175.192 176.000 0.089 0.000 1.430 465 Q CA 0.388 56.242 55.803 0.085 0.000 1.011 465 Q CB -1.985 26.796 28.738 0.071 0.000 1.203 465 Q HN 0.288 nan 8.270 nan 0.000 0.351 466 L N 2.265 123.550 121.223 0.103 0.000 2.294 466 L HA 0.310 4.650 4.340 0.001 0.000 0.283 466 L C -1.273 175.660 176.870 0.106 0.000 1.015 466 L CA -2.178 52.723 54.840 0.101 0.000 0.831 466 L CB 1.096 43.221 42.059 0.111 0.000 1.217 466 L HN 0.072 nan 8.230 nan 0.000 0.420 467 P HA -0.095 nan 4.420 nan 0.000 0.288 467 P C 0.181 177.531 177.300 0.083 0.000 1.448 467 P CA -0.070 63.085 63.100 0.092 0.000 0.764 467 P CB -0.160 31.583 31.700 0.073 0.000 1.472 468 L N 0.601 121.875 121.223 0.084 0.000 2.483 468 L HA 0.076 4.417 4.340 0.001 0.000 0.276 468 L C 0.191 177.099 176.870 0.063 0.000 1.213 468 L CA 0.316 55.183 54.840 0.046 0.000 0.843 468 L CB -0.113 41.954 42.059 0.014 0.000 1.107 468 L HN -0.092 nan 8.230 nan 0.000 0.487 469 I N 5.450 126.032 120.570 0.021 0.000 2.355 469 I HA 0.293 4.464 4.170 0.001 0.000 0.288 469 I C -0.816 175.296 176.117 -0.010 0.000 0.999 469 I CA -0.776 60.546 61.300 0.037 0.000 1.163 469 I CB 1.527 39.531 38.000 0.008 0.000 1.316 469 I HN 0.235 nan 8.210 nan 0.000 0.454 470 V N 7.690 127.624 119.914 0.034 0.000 2.370 470 V HA 0.441 4.562 4.120 0.001 0.000 0.283 470 V C 0.081 176.206 176.094 0.052 0.000 1.023 470 V CA -0.411 61.857 62.300 -0.054 0.000 0.857 470 V CB 1.584 33.348 31.823 -0.098 0.000 0.985 470 V HN 0.485 nan 8.190 nan 0.000 0.443 471 I N 5.963 126.544 120.570 0.018 0.000 2.362 471 I HA 0.478 4.648 4.170 0.001 0.000 0.289 471 I C -0.440 175.682 176.117 0.009 0.000 0.994 471 I CA -0.354 60.989 61.300 0.071 0.000 1.158 471 I CB 1.728 39.813 38.000 0.141 0.000 1.315 471 I HN 0.432 nan 8.210 nan 0.000 0.451 472 I N 6.678 127.247 120.570 -0.002 0.000 2.328 472 I HA 0.261 4.432 4.170 0.001 0.000 0.287 472 I C -0.153 175.920 176.117 -0.073 0.000 1.012 472 I CA -0.644 60.622 61.300 -0.057 0.000 1.195 472 I CB 1.147 39.096 38.000 -0.084 0.000 1.350 472 I HN 0.408 nan 8.210 nan 0.000 0.464 473 M N 5.568 125.127 119.600 -0.068 0.000 2.618 473 M HA 0.105 4.585 4.480 0.001 0.000 0.322 473 M C 0.012 176.279 176.300 -0.056 0.000 1.471 473 M CA -0.049 55.208 55.300 -0.072 0.000 1.450 473 M CB -0.991 31.590 32.600 -0.032 0.000 1.444 473 M HN 0.378 nan 8.290 nan 0.000 0.471 474 N N 3.689 122.366 118.700 -0.039 0.000 2.469 474 N HA 0.096 4.836 4.740 0.001 0.000 0.239 474 N C -0.002 175.518 175.510 0.017 0.000 1.053 474 N CA -0.038 53.016 53.050 0.006 0.000 0.937 474 N CB 0.350 38.885 38.487 0.080 0.000 1.163 474 N HN 0.424 nan 8.380 nan 0.000 0.509 475 N N 2.399 121.102 118.700 0.004 0.000 2.235 475 N HA 0.028 4.768 4.740 0.001 0.000 0.231 475 N C -0.647 174.876 175.510 0.022 0.000 1.177 475 N CA -0.175 52.883 53.050 0.014 0.000 0.874 475 N CB -0.072 38.422 38.487 0.011 0.000 1.097 475 N HN 0.472 nan 8.380 nan 0.000 0.518 476 Q N -0.377 119.435 119.800 0.018 0.000 2.457 476 Q HA -0.200 4.140 4.340 0.001 0.000 0.283 476 Q C -0.961 175.031 176.000 -0.014 0.000 1.234 476 Q CA 1.108 56.918 55.803 0.013 0.000 0.877 476 Q CB -2.631 26.126 28.738 0.031 0.000 1.250 476 Q HN 0.807 nan 8.270 nan 0.000 0.481 477 S N -2.784 112.880 115.700 -0.059 0.000 2.611 477 S HA 0.495 4.965 4.470 0.001 0.000 0.270 477 S C -1.278 173.269 174.600 -0.089 0.000 1.131 477 S CA -1.185 56.988 58.200 -0.045 0.000 0.826 477 S CB 0.449 63.692 63.200 0.072 0.000 1.095 477 S HN 0.324 nan 8.310 nan 0.000 0.461 478 W N 1.849 123.191 121.300 0.070 0.000 2.510 478 W HA 0.495 5.156 4.660 0.001 0.000 0.388 478 W C 1.500 178.045 176.519 0.042 0.000 1.092 478 W CA -0.072 57.310 57.345 0.062 0.000 1.562 478 W CB 0.153 29.655 29.460 0.069 0.000 1.603 478 W HN 1.062 nan 8.180 nan 0.000 0.396 479 G N 1.613 110.519 108.800 0.178 0.000 2.421 479 G HA2 -0.232 3.728 3.960 0.001 0.000 0.216 479 G HA3 -0.232 3.728 3.960 0.001 0.000 0.216 479 G C 1.637 176.489 174.900 -0.080 0.000 1.171 479 G CA 1.057 46.173 45.100 0.027 0.000 0.775 479 G HN 0.544 nan 8.290 nan 0.000 0.543 480 A N 0.614 123.417 122.820 -0.028 0.000 1.968 480 A HA 0.047 4.367 4.320 0.001 0.000 0.217 480 A C 2.608 180.266 177.584 0.124 0.000 1.169 480 A CA 2.461 54.480 52.037 -0.029 0.000 0.638 480 A CB -0.806 18.183 19.000 -0.019 0.000 0.812 480 A HN 0.468 nan 8.150 nan 0.000 0.446 481 T N -1.439 113.204 114.554 0.148 0.000 2.851 481 T HA -0.037 4.313 4.350 0.001 0.000 0.262 481 T C 1.904 176.760 174.700 0.259 0.000 1.043 481 T CA 1.106 63.312 62.100 0.177 0.000 1.140 481 T CB -0.581 68.344 68.868 0.094 0.000 0.872 481 T HN 0.264 nan 8.240 nan 0.000 0.446 482 L N 0.672 122.045 121.223 0.250 0.000 1.989 482 L HA -0.194 4.147 4.340 0.001 0.000 0.211 482 L C 2.840 179.890 176.870 0.299 0.000 1.071 482 L CA 1.864 56.858 54.840 0.257 0.000 0.749 482 L CB -0.566 41.641 42.059 0.246 0.000 0.890 482 L HN 0.385 nan 8.230 nan 0.000 0.431 483 H N -1.549 117.604 119.070 0.140 0.000 2.357 483 H HA -0.300 4.256 4.556 0.001 0.000 0.296 483 H C 2.083 177.472 175.328 0.102 0.000 1.108 483 H CA 1.967 58.078 56.048 0.106 0.000 1.273 483 H CB -0.252 29.569 29.762 0.099 0.000 1.367 483 H HN 0.519 nan 8.280 nan 0.000 0.498 484 F N 2.000 122.047 119.950 0.162 0.000 2.134 484 F HA -0.198 4.329 4.527 0.001 0.000 0.299 484 F C 2.464 178.301 175.800 0.062 0.000 1.097 484 F CA 1.306 59.358 58.000 0.086 0.000 1.264 484 F CB -0.226 38.810 39.000 0.060 0.000 1.001 484 F HN 0.066 nan 8.300 nan 0.000 0.479 485 Q N -0.251 119.629 119.800 0.134 0.000 2.170 485 Q HA -0.272 4.068 4.340 0.001 0.000 0.203 485 Q C 2.174 178.125 176.000 -0.082 0.000 0.976 485 Q CA 1.930 57.754 55.803 0.035 0.000 0.858 485 Q CB -0.271 28.553 28.738 0.143 0.000 0.907 485 Q HN 0.596 nan 8.270 nan 0.000 0.433 486 Q N 0.188 119.958 119.800 -0.049 0.000 2.165 486 Q HA -0.002 4.338 4.340 0.001 0.000 0.197 486 Q C 1.833 177.767 176.000 -0.109 0.000 0.952 486 Q CA 0.516 56.286 55.803 -0.054 0.000 0.848 486 Q CB 0.316 29.039 28.738 -0.025 0.000 0.931 486 Q HN 0.295 nan 8.270 nan 0.000 0.470 487 L N -0.524 120.613 121.223 -0.143 0.000 2.270 487 L HA 0.132 4.473 4.340 0.001 0.000 0.210 487 L C 2.074 178.821 176.870 -0.205 0.000 1.104 487 L CA 0.823 55.576 54.840 -0.144 0.000 0.804 487 L CB -0.102 41.892 42.059 -0.109 0.000 0.937 487 L HN 0.207 nan 8.230 nan 0.000 0.450 488 A N -1.283 121.317 122.820 -0.367 0.000 2.063 488 A HA 0.160 4.480 4.320 0.001 0.000 0.211 488 A C 1.927 179.318 177.584 -0.321 0.000 1.177 488 A CA 0.672 52.424 52.037 -0.476 0.000 0.759 488 A CB 0.214 18.522 19.000 -1.153 0.000 0.857 488 A HN 0.129 nan 8.150 nan 0.000 0.468 489 V N -1.905 117.853 119.914 -0.260 0.000 3.137 489 V HA 0.502 4.622 4.120 0.001 0.000 0.236 489 V C 0.873 176.918 176.094 -0.081 0.000 1.260 489 V CA 0.772 62.987 62.300 -0.141 0.000 1.244 489 V CB 0.669 32.431 31.823 -0.101 0.000 1.016 489 V HN 0.867 nan 8.190 nan 0.000 0.477 490 G N 0.465 109.219 108.800 -0.076 0.000 2.308 490 G HA2 0.251 4.212 3.960 0.001 0.000 0.288 490 G HA3 0.251 4.212 3.960 0.001 0.000 0.288 490 G C -2.574 172.308 174.900 -0.030 0.000 1.722 490 G CA 0.091 45.164 45.100 -0.044 0.000 0.924 490 G HN -0.086 nan 8.290 nan 0.000 0.732 491 P HA -0.170 nan 4.420 nan 0.000 0.216 491 P C 1.365 178.667 177.300 0.004 0.000 1.153 491 P CA 1.733 64.826 63.100 -0.011 0.000 0.858 491 P CB 0.020 31.713 31.700 -0.012 0.000 0.789 492 N N -0.600 118.102 118.700 0.003 0.000 2.550 492 N HA -0.099 4.641 4.740 0.001 0.000 0.186 492 N C 1.037 176.558 175.510 0.018 0.000 1.110 492 N CA 0.611 53.669 53.050 0.012 0.000 0.912 492 N CB -0.813 37.679 38.487 0.009 0.000 0.968 492 N HN 0.103 nan 8.380 nan 0.000 0.448 493 R N 0.650 121.160 120.500 0.016 0.000 2.702 493 R HA 0.260 4.601 4.340 0.001 0.000 0.314 493 R C -0.501 175.827 176.300 0.046 0.000 1.152 493 R CA -0.391 55.724 56.100 0.025 0.000 1.097 493 R CB -0.384 29.922 30.300 0.011 0.000 1.343 493 R HN 0.092 nan 8.270 nan 0.000 0.575 494 V N 2.195 122.142 119.914 0.055 0.000 2.455 494 V HA 0.197 4.317 4.120 0.001 0.000 0.273 494 V C 0.259 176.400 176.094 0.079 0.000 1.045 494 V CA 0.395 62.742 62.300 0.079 0.000 0.976 494 V CB 1.102 32.975 31.823 0.083 0.000 0.993 494 V HN 0.313 nan 8.190 nan 0.000 0.475 495 T N 1.982 116.591 114.554 0.091 0.000 2.956 495 T HA 0.607 4.958 4.350 0.001 0.000 0.312 495 T C 0.691 175.452 174.700 0.101 0.000 1.151 495 T CA 0.002 62.154 62.100 0.086 0.000 1.024 495 T CB 1.661 70.569 68.868 0.066 0.000 1.140 495 T HN 1.196 nan 8.240 nan 0.000 0.473 496 G N 1.502 110.368 108.800 0.111 0.000 2.155 496 G HA2 -0.300 3.660 3.960 0.001 0.000 0.257 496 G HA3 -0.300 3.660 3.960 0.001 0.000 0.257 496 G C 0.548 175.579 174.900 0.217 0.000 0.983 496 G CA 0.995 46.173 45.100 0.129 0.000 0.676 496 G HN 1.469 nan 8.290 nan 0.000 0.528 497 T N -3.015 111.689 114.554 0.249 0.000 3.091 497 T HA 0.468 4.818 4.350 0.001 0.000 0.277 497 T C 0.755 175.650 174.700 0.326 0.000 0.996 497 T CA -0.236 62.096 62.100 0.386 0.000 0.897 497 T CB 0.595 69.631 68.868 0.281 0.000 1.109 497 T HN 0.465 nan 8.240 nan 0.000 0.534 498 R N 0.996 121.624 120.500 0.212 0.000 2.404 498 R HA 0.616 4.957 4.340 0.001 0.000 0.291 498 R C -0.631 175.709 176.300 0.067 0.000 1.025 498 R CA -0.564 55.608 56.100 0.119 0.000 0.991 498 R CB 1.255 31.611 30.300 0.092 0.000 1.053 498 R HN 0.263 nan 8.270 nan 0.000 0.479 499 L N 2.967 124.182 121.223 -0.014 0.000 2.594 499 L HA 0.256 4.596 4.340 0.001 0.000 0.245 499 L C -0.270 176.585 176.870 -0.025 0.000 1.460 499 L CA 0.039 54.841 54.840 -0.063 0.000 0.865 499 L CB 0.931 42.853 42.059 -0.227 0.000 1.131 499 L HN 0.569 nan 8.230 nan 0.000 0.506 500 E N 2.061 122.259 120.200 -0.003 0.000 2.232 500 E HA 0.206 4.556 4.350 0.001 0.000 0.296 500 E C -0.577 176.012 176.600 -0.019 0.000 1.372 500 E CA -0.168 56.232 56.400 0.000 0.000 1.527 500 E CB 0.247 29.956 29.700 0.015 0.000 1.424 500 E HN 0.383 nan 8.360 nan 0.000 0.485 501 N N 0.106 118.777 118.700 -0.048 0.000 3.340 501 N HA 0.362 5.102 4.740 0.001 0.000 0.234 501 N C -1.399 173.996 175.510 -0.192 0.000 1.196 501 N CA 0.281 53.277 53.050 -0.091 0.000 0.958 501 N CB 1.532 39.979 38.487 -0.067 0.000 1.608 501 N HN 0.249 nan 8.380 nan 0.000 0.515 502 G N 0.758 109.401 108.800 -0.262 0.000 2.906 502 G HA2 0.219 4.179 3.960 0.001 0.000 0.686 502 G HA3 0.219 4.179 3.960 0.001 0.000 0.686 502 G C -1.060 173.454 174.900 -0.643 0.000 1.170 502 G CA -0.330 44.490 45.100 -0.467 0.000 0.775 502 G HN 0.982 nan 8.290 nan 0.000 0.630 503 S N 1.774 117.131 115.700 -0.571 0.000 2.505 503 S HA 0.579 5.049 4.470 0.001 0.000 0.280 503 S C 1.255 175.497 174.600 -0.597 0.000 1.197 503 S CA -0.455 57.398 58.200 -0.579 0.000 1.138 503 S CB 0.091 63.005 63.200 -0.476 0.000 1.010 503 S HN 0.599 nan 8.310 nan 0.000 0.480 504 Y N 3.465 123.617 120.300 -0.248 0.000 2.242 504 Y HA -0.137 4.413 4.550 0.000 0.000 0.291 504 Y C 2.674 178.475 175.900 -0.165 0.000 1.137 504 Y CA 1.905 59.935 58.100 -0.116 0.000 1.181 504 Y CB -0.690 37.776 38.460 0.009 0.000 0.989 504 Y HN 0.860 nan 8.280 nan 0.000 0.527 505 H N -1.847 117.232 119.070 0.015 0.000 2.422 505 H HA -0.043 4.513 4.556 0.000 0.000 0.298 505 H C 2.304 177.573 175.328 -0.097 0.000 1.098 505 H CA 1.305 57.320 56.048 -0.055 0.000 1.315 505 H CB -0.932 28.817 29.762 -0.021 0.000 1.382 505 H HN 0.374 nan 8.280 nan 0.000 0.523 506 G N 1.177 109.627 108.800 -0.583 0.000 2.408 506 G HA2 -0.149 3.811 3.960 0.001 0.000 0.217 506 G HA3 -0.149 3.811 3.960 0.001 0.000 0.217 506 G C 1.903 176.675 174.900 -0.213 0.000 1.150 506 G CA 1.135 46.036 45.100 -0.331 0.000 0.776 506 G HN 0.369 nan 8.290 nan 0.000 0.542 507 V N 1.630 121.439 119.914 -0.175 0.000 2.295 507 V HA -0.152 3.968 4.120 0.001 0.000 0.246 507 V C 3.337 179.418 176.094 -0.022 0.000 1.049 507 V CA 2.064 64.331 62.300 -0.055 0.000 1.024 507 V CB -0.961 30.931 31.823 0.115 0.000 0.648 507 V HN 0.465 nan 8.190 nan 0.000 0.447 508 A N 0.076 122.780 122.820 -0.192 0.000 1.883 508 A HA -0.168 4.152 4.320 0.001 0.000 0.217 508 A C 2.433 179.927 177.584 -0.150 0.000 1.186 508 A CA 2.347 54.100 52.037 -0.473 0.000 0.624 508 A CB -0.900 17.499 19.000 -1.001 0.000 0.822 508 A HN 0.593 nan 8.150 nan 0.000 0.444 509 A N -0.225 122.517 122.820 -0.130 0.000 1.902 509 A HA 0.159 4.480 4.320 0.001 0.000 0.217 509 A C 2.484 180.023 177.584 -0.074 0.000 1.181 509 A CA 2.065 54.055 52.037 -0.079 0.000 0.623 509 A CB -1.030 17.926 19.000 -0.074 0.000 0.818 509 A HN 1.160 nan 8.150 nan 0.000 0.443 510 A N -1.545 121.192 122.820 -0.138 0.000 2.024 510 A HA -0.014 4.306 4.320 0.001 0.000 0.220 510 A C 1.681 179.106 177.584 -0.266 0.000 1.164 510 A CA 1.397 53.295 52.037 -0.232 0.000 0.643 510 A CB -0.665 18.126 19.000 -0.347 0.000 0.806 510 A HN 0.465 nan 8.150 nan 0.000 0.451 511 F N -1.022 118.928 119.950 0.000 0.000 2.797 511 F HA 0.333 4.861 4.527 0.000 0.000 0.302 511 F C 1.841 177.670 175.800 0.048 0.000 1.130 511 F CA 0.474 58.504 58.000 0.050 0.000 1.387 511 F CB 0.070 39.149 39.000 0.131 0.000 1.107 511 F HN 0.364 nan 8.300 nan 0.000 0.577 512 G N -0.010 108.879 108.800 0.148 0.000 2.134 512 G HA2 0.006 3.967 3.960 0.001 0.000 0.209 512 G HA3 0.006 3.967 3.960 0.001 0.000 0.209 512 G C 0.142 175.101 174.900 0.098 0.000 0.993 512 G CA -0.167 44.994 45.100 0.102 0.000 0.669 512 G HN 0.616 nan 8.290 nan 0.000 0.519 513 A N -0.344 122.532 122.820 0.092 0.000 2.299 513 A HA 0.735 5.056 4.320 0.001 0.000 0.332 513 A C -0.135 177.450 177.584 0.002 0.000 1.131 513 A CA -0.427 51.658 52.037 0.080 0.000 0.844 513 A CB 0.874 19.961 19.000 0.146 0.000 1.251 513 A HN 0.143 nan 8.150 nan 0.000 0.486 514 D N 0.324 120.733 120.400 0.015 0.000 2.345 514 D HA 0.460 5.100 4.640 0.001 0.000 0.247 514 D C 0.123 176.387 176.300 -0.060 0.000 1.108 514 D CA 0.800 54.760 54.000 -0.067 0.000 0.894 514 D CB 1.367 42.143 40.800 -0.040 0.000 1.203 514 D HN 0.692 nan 8.370 nan 0.000 0.430 515 G N 1.388 110.088 108.800 -0.166 0.000 2.683 515 G HA2 0.468 4.428 3.960 0.001 0.000 0.299 515 G HA3 0.468 4.428 3.960 0.001 0.000 0.299 515 G C -1.408 173.411 174.900 -0.135 0.000 1.432 515 G CA -0.555 44.531 45.100 -0.025 0.000 0.978 515 G HN 0.267 nan 8.290 nan 0.000 0.513 516 Y N 0.939 121.262 120.300 0.039 0.000 2.387 516 Y HA 0.504 5.054 4.550 0.000 0.000 0.336 516 Y C 0.564 176.415 175.900 -0.081 0.000 1.067 516 Y CA -0.670 57.423 58.100 -0.011 0.000 1.114 516 Y CB 2.002 40.496 38.460 0.057 0.000 1.208 516 Y HN 0.605 nan 8.280 nan 0.000 0.458 517 H N 2.131 121.062 119.070 -0.232 0.000 2.524 517 H HA 0.772 5.328 4.556 0.000 0.000 0.353 517 H C -1.400 173.886 175.328 -0.070 0.000 1.136 517 H CA -1.069 54.832 56.048 -0.245 0.000 1.193 517 H CB 1.708 31.148 29.762 -0.536 0.000 1.558 517 H HN 0.574 nan 8.280 nan 0.000 0.515 518 V N 1.823 121.746 119.914 0.014 0.000 3.120 518 V HA 0.310 4.430 4.120 0.001 0.000 0.303 518 V C -1.098 174.911 176.094 -0.142 0.000 1.238 518 V CA -0.790 61.484 62.300 -0.044 0.000 1.008 518 V CB 2.129 34.012 31.823 0.100 0.000 1.064 518 V HN 0.994 nan 8.190 nan 0.000 0.434 519 D N 0.496 120.820 120.400 -0.126 0.000 2.615 519 D HA 0.287 4.928 4.640 0.001 0.000 0.274 519 D C 0.083 176.350 176.300 -0.056 0.000 1.512 519 D CA 0.683 54.610 54.000 -0.122 0.000 0.803 519 D CB 0.232 40.924 40.800 -0.180 0.000 1.182 519 D HN 1.178 nan 8.370 nan 0.000 0.473 520 S N -1.442 114.253 115.700 -0.009 0.000 2.564 520 S HA 0.474 4.944 4.470 0.001 0.000 0.274 520 S C 0.967 175.620 174.600 0.089 0.000 1.124 520 S CA -0.417 57.799 58.200 0.026 0.000 0.869 520 S CB 1.720 64.927 63.200 0.012 0.000 1.105 520 S HN -0.188 nan 8.310 nan 0.000 0.472 521 V N 1.725 121.695 119.914 0.092 0.000 2.250 521 V HA -0.236 3.884 4.120 0.001 0.000 0.250 521 V C 2.762 178.918 176.094 0.103 0.000 1.060 521 V CA 2.623 64.995 62.300 0.121 0.000 1.030 521 V CB -1.107 30.742 31.823 0.043 0.000 0.643 521 V HN 1.054 nan 8.190 nan 0.000 0.445 522 E N 0.346 120.577 120.200 0.053 0.000 2.058 522 E HA -0.231 4.120 4.350 0.001 0.000 0.194 522 E C 2.328 178.957 176.600 0.049 0.000 0.997 522 E CA 1.874 58.293 56.400 0.032 0.000 0.801 522 E CB -0.102 29.606 29.700 0.014 0.000 0.746 522 E HN 0.795 nan 8.360 nan 0.000 0.450 523 S N -0.118 115.624 115.700 0.070 0.000 2.436 523 S HA -0.102 4.368 4.470 0.001 0.000 0.228 523 S C 1.815 176.500 174.600 0.142 0.000 1.014 523 S CA 0.301 58.549 58.200 0.079 0.000 0.950 523 S CB -0.405 62.829 63.200 0.056 0.000 0.784 523 S HN 0.289 nan 8.310 nan 0.000 0.504 524 F N 3.797 123.735 119.950 -0.020 0.000 2.075 524 F HA -0.063 4.465 4.527 0.001 0.000 0.297 524 F C 2.408 178.178 175.800 -0.049 0.000 1.113 524 F CA 1.148 59.129 58.000 -0.032 0.000 1.218 524 F CB -1.133 37.859 39.000 -0.014 0.000 0.984 524 F HN 0.229 nan 8.300 nan 0.000 0.472 525 S N 0.799 116.424 115.700 -0.123 0.000 2.383 525 S HA -0.192 4.278 4.470 0.001 0.000 0.229 525 S C 2.355 176.865 174.600 -0.150 0.000 1.030 525 S CA 1.113 59.195 58.200 -0.198 0.000 1.002 525 S CB -1.107 62.051 63.200 -0.071 0.000 0.829 525 S HN 0.510 nan 8.310 nan 0.000 0.467 526 A N 1.923 124.700 122.820 -0.072 0.000 1.898 526 A HA 0.234 4.554 4.320 0.001 0.000 0.216 526 A C 2.443 179.956 177.584 -0.118 0.000 1.181 526 A CA 1.559 53.563 52.037 -0.054 0.000 0.620 526 A CB -1.266 17.738 19.000 0.007 0.000 0.819 526 A HN 0.544 nan 8.150 nan 0.000 0.442 527 A N -0.325 122.408 122.820 -0.146 0.000 1.865 527 A HA -0.106 4.215 4.320 0.001 0.000 0.217 527 A C 2.132 179.382 177.584 -0.558 0.000 1.191 527 A CA 1.905 53.687 52.037 -0.425 0.000 0.623 527 A CB -0.764 18.080 19.000 -0.261 0.000 0.826 527 A HN 0.600 nan 8.150 nan 0.000 0.444 528 L N -0.165 120.779 121.223 -0.465 0.000 1.970 528 L HA -0.144 4.196 4.340 0.001 0.000 0.212 528 L C 2.806 179.375 176.870 -0.502 0.000 1.071 528 L CA 2.450 56.961 54.840 -0.548 0.000 0.751 528 L CB -1.226 40.363 42.059 -0.782 0.000 0.889 528 L HN 0.397 nan 8.230 nan 0.000 0.432 529 A N -1.394 121.179 122.820 -0.413 0.000 1.917 529 A HA -0.323 3.998 4.320 0.001 0.000 0.219 529 A C 2.305 179.776 177.584 -0.187 0.000 1.182 529 A CA 2.118 54.013 52.037 -0.237 0.000 0.633 529 A CB -0.700 18.256 19.000 -0.072 0.000 0.819 529 A HN 0.665 nan 8.150 nan 0.000 0.448 530 Q N -0.997 118.712 119.800 -0.152 0.000 2.046 530 Q HA -0.086 4.255 4.340 0.001 0.000 0.200 530 Q C 2.391 178.423 176.000 0.053 0.000 0.975 530 Q CA 1.466 57.252 55.803 -0.027 0.000 0.836 530 Q CB -0.352 28.469 28.738 0.138 0.000 0.896 530 Q HN 0.663 nan 8.270 nan 0.000 0.428 531 A N 0.631 123.417 122.820 -0.057 0.000 1.865 531 A HA -0.219 4.101 4.320 0.001 0.000 0.217 531 A C 2.035 179.609 177.584 -0.016 0.000 1.191 531 A CA 1.439 53.491 52.037 0.026 0.000 0.623 531 A CB -0.945 17.967 19.000 -0.146 0.000 0.826 531 A HN 0.420 nan 8.150 nan 0.000 0.444 532 L N -0.774 120.364 121.223 -0.141 0.000 2.079 532 L HA -0.238 4.102 4.340 0.001 0.000 0.210 532 L C 2.967 179.769 176.870 -0.113 0.000 1.081 532 L CA 1.134 55.899 54.840 -0.126 0.000 0.752 532 L CB -0.466 41.488 42.059 -0.175 0.000 0.896 532 L HN 0.449 nan 8.230 nan 0.000 0.433 533 A N -1.771 120.927 122.820 -0.203 0.000 2.121 533 A HA -0.076 4.244 4.320 0.001 0.000 0.218 533 A C 0.775 178.144 177.584 -0.358 0.000 1.154 533 A CA 0.852 52.699 52.037 -0.316 0.000 0.679 533 A CB -0.551 18.192 19.000 -0.428 0.000 0.795 533 A HN 0.357 nan 8.150 nan 0.000 0.458 534 H N -1.724 117.361 119.070 0.024 0.000 2.616 534 H HA 0.272 4.828 4.556 0.000 0.000 0.353 534 H C -0.744 174.609 175.328 0.042 0.000 1.170 534 H CA -0.828 55.245 56.048 0.042 0.000 1.212 534 H CB 1.020 30.823 29.762 0.068 0.000 1.653 534 H HN 0.242 nan 8.280 nan 0.000 0.537 535 N N 1.590 120.400 118.700 0.184 0.000 3.131 535 N HA 0.095 4.835 4.740 0.001 0.000 0.312 535 N C -0.818 174.763 175.510 0.119 0.000 1.433 535 N CA -0.202 52.919 53.050 0.118 0.000 1.141 535 N CB -0.112 38.427 38.487 0.088 0.000 1.431 535 N HN 0.439 nan 8.380 nan 0.000 0.523 536 R N 0.101 120.685 120.500 0.139 0.000 2.740 536 R HA 0.475 4.816 4.340 0.001 0.000 0.273 536 R C -2.780 173.607 176.300 0.144 0.000 0.998 536 R CA -1.889 54.285 56.100 0.125 0.000 0.900 536 R CB 1.513 31.872 30.300 0.099 0.000 1.223 536 R HN 0.174 nan 8.270 nan 0.000 0.466 537 P HA 0.147 nan 4.420 nan 0.000 0.268 537 P C -1.336 176.099 177.300 0.224 0.000 1.204 537 P CA -0.073 63.150 63.100 0.204 0.000 0.768 537 P CB 0.976 32.822 31.700 0.244 0.000 0.842 538 A N 2.371 125.345 122.820 0.256 0.000 2.475 538 A HA 0.620 4.941 4.320 0.001 0.000 0.301 538 A C -1.175 176.592 177.584 0.306 0.000 1.059 538 A CA -0.538 51.664 52.037 0.274 0.000 0.710 538 A CB 1.361 20.537 19.000 0.293 0.000 1.288 538 A HN 0.627 nan 8.150 nan 0.000 0.408 539 C N 2.463 121.921 119.300 0.264 0.000 2.455 539 C HA 0.843 5.303 4.460 0.001 0.000 0.320 539 C C -0.945 174.231 174.990 0.309 0.000 1.226 539 C CA -0.535 58.629 59.018 0.244 0.000 1.569 539 C CB -0.487 27.240 27.740 -0.021 0.000 2.200 539 C HN 0.644 nan 8.230 nan 0.000 0.491 540 I N 5.907 126.630 120.570 0.255 0.000 2.493 540 I HA 0.267 4.437 4.170 0.001 0.000 0.279 540 I C -0.597 175.624 176.117 0.173 0.000 1.045 540 I CA -0.169 61.283 61.300 0.254 0.000 1.106 540 I CB 1.020 39.149 38.000 0.215 0.000 1.216 540 I HN 0.613 nan 8.210 nan 0.000 0.459 541 N N 6.257 125.066 118.700 0.182 0.000 2.406 541 N HA 0.296 5.036 4.740 0.001 0.000 0.251 541 N C -1.061 174.553 175.510 0.172 0.000 1.069 541 N CA -0.097 53.030 53.050 0.128 0.000 0.947 541 N CB 1.172 39.711 38.487 0.086 0.000 1.111 541 N HN 0.247 nan 8.380 nan 0.000 0.497 542 V N 2.473 122.395 119.914 0.013 0.000 2.384 542 V HA 0.575 4.695 4.120 0.001 0.000 0.287 542 V C 0.417 176.491 176.094 -0.033 0.000 1.020 542 V CA -1.321 60.906 62.300 -0.122 0.000 0.850 542 V CB 0.967 32.447 31.823 -0.572 0.000 0.987 542 V HN 0.756 nan 8.190 nan 0.000 0.436 543 A N 5.046 127.883 122.820 0.029 0.000 2.454 543 A HA 0.660 4.980 4.320 0.001 0.000 0.260 543 A C -0.364 177.191 177.584 -0.047 0.000 1.106 543 A CA -0.099 51.961 52.037 0.037 0.000 0.780 543 A CB 0.423 19.443 19.000 0.034 0.000 1.044 543 A HN 0.752 nan 8.150 nan 0.000 0.498 544 V N 2.166 122.057 119.914 -0.039 0.000 2.686 544 V HA 0.566 4.686 4.120 0.001 0.000 0.306 544 V C 0.623 176.683 176.094 -0.058 0.000 1.065 544 V CA -0.428 61.825 62.300 -0.079 0.000 0.894 544 V CB 1.629 33.384 31.823 -0.113 0.000 1.004 544 V HN 1.343 nan 8.190 nan 0.000 0.424 545 A N 3.170 125.941 122.820 -0.081 0.000 2.561 545 A HA 0.308 4.629 4.320 0.001 0.000 0.234 545 A C 0.736 178.299 177.584 -0.034 0.000 1.055 545 A CA 0.474 52.480 52.037 -0.053 0.000 0.756 545 A CB 0.151 19.103 19.000 -0.080 0.000 0.986 545 A HN 1.010 nan 8.150 nan 0.000 0.505 546 L N 0.933 122.183 121.223 0.044 0.000 2.269 546 L HA 0.118 4.459 4.340 0.001 0.000 0.200 546 L C 1.734 178.771 176.870 0.277 0.000 1.069 546 L CA 2.099 57.015 54.840 0.127 0.000 0.804 546 L CB -0.385 41.753 42.059 0.133 0.000 0.987 546 L HN 0.796 nan 8.230 nan 0.000 0.468 547 D N -0.883 119.635 120.400 0.196 0.000 2.363 547 D HA 0.022 4.663 4.640 0.001 0.000 0.220 547 D C -1.520 174.877 176.300 0.161 0.000 0.994 547 D CA -0.414 53.687 54.000 0.167 0.000 0.890 547 D CB -1.570 39.264 40.800 0.057 0.000 0.906 547 D HN 0.322 nan 8.370 nan 0.000 0.530 548 P HA 0.148 nan 4.420 nan 0.000 0.268 548 P C -0.071 177.557 177.300 0.546 0.000 1.204 548 P CA 0.072 63.339 63.100 0.279 0.000 0.768 548 P CB 0.754 32.459 31.700 0.009 0.000 0.842 549 I N 5.312 126.158 120.570 0.460 0.000 2.362 549 I HA 0.295 4.465 4.170 0.001 0.000 0.289 549 I C -1.949 174.219 176.117 0.087 0.000 0.994 549 I CA -2.582 58.898 61.300 0.300 0.000 1.158 549 I CB 1.846 39.911 38.000 0.108 0.000 1.315 549 I HN 0.201 nan 8.210 nan 0.000 0.451 550 P HA 0.200 nan 4.420 nan 0.000 0.272 550 P C -2.346 174.695 177.300 -0.433 0.000 1.230 550 P CA -1.407 61.033 63.100 -1.099 0.000 0.788 550 P CB 0.345 31.136 31.700 -1.516 0.000 0.949 551 P HA -0.171 nan 4.420 nan 0.000 0.216 551 P C 1.161 178.348 177.300 -0.188 0.000 1.154 551 P CA 1.708 64.703 63.100 -0.175 0.000 0.865 551 P CB -0.102 31.522 31.700 -0.128 0.000 0.789 552 E N -0.895 119.173 120.200 -0.221 0.000 2.516 552 E HA -0.077 4.273 4.350 0.001 0.000 0.199 552 E C 1.208 177.725 176.600 -0.140 0.000 1.069 552 E CA 0.426 56.718 56.400 -0.180 0.000 0.876 552 E CB 0.091 29.706 29.700 -0.141 0.000 0.843 552 E HN 0.496 nan 8.360 nan 0.000 0.530 553 E N -0.201 119.917 120.200 -0.137 0.000 3.310 553 E HA 0.104 4.454 4.350 0.001 0.000 0.423 553 E C 0.862 177.429 176.600 -0.055 0.000 0.353 553 E CA -0.555 55.806 56.400 -0.064 0.000 2.521 553 E CB 0.393 30.072 29.700 -0.035 0.000 2.229 553 E HN -0.096 nan 8.360 nan 0.000 0.443 554 L N -0.466 120.739 121.223 -0.029 0.000 4.830 554 L HA -0.318 4.023 4.340 0.001 0.000 0.053 554 L C 0.202 177.059 176.870 -0.022 0.000 3.209 554 L CA 2.033 56.858 54.840 -0.026 0.000 1.500 554 L CB -1.211 40.829 42.059 -0.032 0.000 2.957 554 L HN 0.530 nan 8.230 nan 0.000 0.877 555 I N 0.000 120.554 120.570 -0.026 0.000 2.984 555 I HA 0.000 4.170 4.170 0.001 0.000 0.288 555 I CA 0.000 61.300 61.300 0.000 0.000 1.566 555 I CB 0.000 38.020 38.000 0.034 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494