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 3bmx_1_B DATA FIRST_RESID 26 DATA SEQUENCE ASASKRAIDA NQIVNRMSLD EKLGQMLMPD FRNWQKEGES SPQALTKMND DATA SEQUENCE EVASLVKKYQ FGGIILFAEN VKTTKQTVQL TDDYQKASPK IPLMLSIDQE DATA SEQUENCE GGIVTRLGEG TNFPGNMALG AARSRINAYQ TGSIIGKELS ALGINTDFSP DATA SEQUENCE VVDINNNPDN PVIGVRSFSS NRELTSRLGL YTMKGLQRQD IASALKHFPG DATA SEQUENCE HGDTDVDSHY GLPLVSHGQE RLREVELYPF QKAIDAGADM VMTAHVQFPA DATA SEQUENCE FDDTTYKSKL DGSDILVPAT LSKKVMTGLL RQEMGFNGVI VTDALNMKAI DATA SEQUENCE ADHFGQEEAV VMAVKAGVDI ALMPASVTSL KEEQKFARVI QALKEAVKNG DATA SEQUENCE DIPEQQINNS VERIISLKIK RGMYPARNSD STKEKIAKAK KIVGSKQHLK DATA SEQUENCE AEKKLAEKAV TVLKNEQHTL PFKPKKGSRI LIVAPYEEQT ASIEQTIHDL DATA SEQUENCE IKRKKIKPVS LSKMNFASQV FKTEHEKQVK EADYIITGSY VVKNDPVVND DATA SEQUENCE GVIDDTISDS SKWATVFPRA VMKAALQHNK PFVLMSLRNP YDAANFEEAK DATA SEQUENCE ALIAVYGFKG YANGRYLQPN IPAGVMAIFG QAKPKGTLPV DIPSVTKPGN DATA SEQUENCE TLYPLGYGLN IKTGRPL 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 26 A HA 0.000 nan 4.320 nan 0.000 0.244 26 A C 0.000 177.572 177.584 -0.021 0.000 1.274 26 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 26 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 27 S N 0.672 116.360 115.700 -0.021 0.000 2.368 27 S HA 0.072 4.542 4.470 -0.000 0.000 0.224 27 S C 2.032 176.617 174.600 -0.025 0.000 1.029 27 S CA 1.575 59.761 58.200 -0.023 0.000 0.988 27 S CB -0.597 62.591 63.200 -0.021 0.000 0.838 27 S HN 1.514 nan 8.310 nan 0.000 0.462 28 A N 1.450 124.256 122.820 -0.024 0.000 1.933 28 A HA -0.013 4.307 4.320 -0.000 0.000 0.218 28 A C 2.454 180.021 177.584 -0.028 0.000 1.175 28 A CA 1.903 53.924 52.037 -0.027 0.000 0.628 28 A CB -1.337 17.646 19.000 -0.027 0.000 0.814 28 A HN 0.583 nan 8.150 nan 0.000 0.444 29 S N -0.540 115.145 115.700 -0.026 0.000 2.355 29 S HA -0.185 4.285 4.470 -0.000 0.000 0.222 29 S C 2.137 176.721 174.600 -0.027 0.000 1.031 29 S CA 1.841 60.026 58.200 -0.025 0.000 0.993 29 S CB -0.308 62.879 63.200 -0.022 0.000 0.859 29 S HN 0.631 nan 8.310 nan 0.000 0.453 30 K N 0.715 121.098 120.400 -0.027 0.000 2.057 30 K HA -0.113 4.207 4.320 -0.000 0.000 0.207 30 K C 2.452 179.031 176.600 -0.035 0.000 1.049 30 K CA 1.319 57.588 56.287 -0.031 0.000 0.931 30 K CB -0.280 32.201 32.500 -0.032 0.000 0.714 30 K HN 0.297 nan 8.250 nan 0.000 0.440 31 R N 0.116 120.595 120.500 -0.035 0.000 2.091 31 R HA -0.137 4.203 4.340 -0.000 0.000 0.238 31 R C 2.154 178.435 176.300 -0.032 0.000 1.136 31 R CA 1.524 57.602 56.100 -0.036 0.000 0.959 31 R CB -0.354 29.927 30.300 -0.032 0.000 0.856 31 R HN 0.319 nan 8.270 nan 0.000 0.437 32 A N 0.754 123.556 122.820 -0.030 0.000 1.902 32 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 32 A C 2.147 179.716 177.584 -0.025 0.000 1.181 32 A CA 1.400 53.420 52.037 -0.029 0.000 0.623 32 A CB -0.453 18.529 19.000 -0.031 0.000 0.818 32 A HN 0.366 nan 8.150 nan 0.000 0.443 33 I N -0.201 120.353 120.570 -0.026 0.000 2.252 33 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 33 I C 1.917 178.019 176.117 -0.024 0.000 1.102 33 I CA 1.406 62.692 61.300 -0.023 0.000 1.385 33 I CB -0.422 37.564 38.000 -0.024 0.000 1.064 33 I HN 0.225 nan 8.210 nan 0.000 0.414 34 D N 1.135 121.516 120.400 -0.032 0.000 2.104 34 D HA -0.180 4.460 4.640 -0.000 0.000 0.194 34 D C 2.268 178.553 176.300 -0.025 0.000 0.994 34 D CA 1.705 55.680 54.000 -0.042 0.000 0.830 34 D CB -0.287 40.472 40.800 -0.068 0.000 0.959 34 D HN 0.343 nan 8.370 nan 0.000 0.452 35 A N 0.942 123.753 122.820 -0.015 0.000 1.902 35 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 35 A C 2.005 179.596 177.584 0.011 0.000 1.181 35 A CA 1.696 53.739 52.037 0.011 0.000 0.623 35 A CB -0.779 18.226 19.000 0.009 0.000 0.818 35 A HN 0.288 nan 8.150 nan 0.000 0.443 36 N N -0.937 117.762 118.700 -0.002 0.000 2.120 36 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 36 N C 1.736 177.247 175.510 0.002 0.000 1.024 36 N CA 1.492 54.540 53.050 -0.002 0.000 0.852 36 N CB -0.161 38.320 38.487 -0.009 0.000 1.003 36 N HN 0.408 nan 8.380 nan 0.000 0.424 37 Q N 0.862 120.661 119.800 -0.002 0.000 2.084 37 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 37 Q C 2.289 178.296 176.000 0.011 0.000 0.978 37 Q CA 0.819 56.622 55.803 -0.000 0.000 0.844 37 Q CB -0.331 28.401 28.738 -0.009 0.000 0.898 37 Q HN 0.555 nan 8.270 nan 0.000 0.426 38 I N -0.192 120.391 120.570 0.022 0.000 2.202 38 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 38 I C 2.241 178.386 176.117 0.046 0.000 1.091 38 I CA 0.763 62.094 61.300 0.052 0.000 1.368 38 I CB -0.259 37.802 38.000 0.101 0.000 1.058 38 I HN -0.041 nan 8.210 nan 0.000 0.410 39 V N 1.053 120.989 119.914 0.037 0.000 2.407 39 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 39 V C 2.041 178.144 176.094 0.016 0.000 1.055 39 V CA 1.671 63.987 62.300 0.026 0.000 1.049 39 V CB -0.903 30.932 31.823 0.019 0.000 0.662 39 V HN 0.443 nan 8.190 nan 0.000 0.455 40 N N 0.500 119.208 118.700 0.012 0.000 2.272 40 N HA -0.134 4.606 4.740 -0.000 0.000 0.185 40 N C 1.832 177.347 175.510 0.008 0.000 1.014 40 N CA 1.150 54.205 53.050 0.008 0.000 0.870 40 N CB -0.282 38.207 38.487 0.004 0.000 0.975 40 N HN 0.513 nan 8.380 nan 0.000 0.433 41 R N -0.644 119.864 120.500 0.013 0.000 2.276 41 R HA 0.225 4.565 4.340 -0.000 0.000 0.196 41 R C 0.364 176.670 176.300 0.010 0.000 0.961 41 R CA 0.030 56.137 56.100 0.011 0.000 1.024 41 R CB 0.165 30.474 30.300 0.015 0.000 0.940 41 R HN 0.204 nan 8.270 nan 0.000 0.480 42 M N 1.236 120.842 119.600 0.012 0.000 2.242 42 M HA 0.057 4.537 4.480 -0.000 0.000 0.344 42 M C 0.695 176.998 176.300 0.004 0.000 1.140 42 M CA -0.064 55.240 55.300 0.007 0.000 1.160 42 M CB 1.411 34.016 32.600 0.008 0.000 1.491 42 M HN -0.010 nan 8.290 nan 0.000 0.459 43 S N 1.656 117.356 115.700 -0.000 0.000 2.614 43 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 43 S C 0.726 175.328 174.600 0.004 0.000 1.303 43 S CA -0.846 57.354 58.200 0.001 0.000 1.000 43 S CB 0.805 64.003 63.200 -0.004 0.000 0.935 43 S HN 0.739 nan 8.310 nan 0.000 0.551 44 L N 0.823 122.051 121.223 0.008 0.000 2.042 44 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 44 L C 1.969 178.848 176.870 0.016 0.000 1.076 44 L CA 1.970 56.818 54.840 0.013 0.000 0.749 44 L CB -1.155 40.914 42.059 0.016 0.000 0.893 44 L HN 0.804 nan 8.230 nan 0.000 0.432 45 D N -0.572 119.836 120.400 0.014 0.000 2.144 45 D HA -0.207 4.433 4.640 -0.000 0.000 0.199 45 D C 1.927 178.231 176.300 0.006 0.000 0.984 45 D CA 1.570 55.581 54.000 0.018 0.000 0.834 45 D CB 0.128 40.934 40.800 0.009 0.000 0.955 45 D HN 0.569 nan 8.370 nan 0.000 0.465 46 E N 0.831 121.027 120.200 -0.007 0.000 2.072 46 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 46 E C 2.120 178.717 176.600 -0.005 0.000 0.985 46 E CA 0.782 57.172 56.400 -0.017 0.000 0.801 46 E CB 0.135 29.823 29.700 -0.020 0.000 0.750 46 E HN 0.224 nan 8.360 nan 0.000 0.452 47 K N 0.559 120.962 120.400 0.004 0.000 2.025 47 K HA -0.099 4.221 4.320 -0.000 0.000 0.207 47 K C 2.235 178.846 176.600 0.018 0.000 1.049 47 K CA 0.957 57.250 56.287 0.010 0.000 0.933 47 K CB -0.146 32.361 32.500 0.011 0.000 0.714 47 K HN 0.107 nan 8.250 nan 0.000 0.438 48 L N 0.303 121.541 121.223 0.025 0.000 2.083 48 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 48 L C 2.574 179.474 176.870 0.050 0.000 1.083 48 L CA 1.274 56.137 54.840 0.039 0.000 0.752 48 L CB -0.961 41.126 42.059 0.047 0.000 0.899 48 L HN 0.370 nan 8.230 nan 0.000 0.433 49 G N -0.787 108.037 108.800 0.039 0.000 2.469 49 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 49 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 49 G C 1.514 176.453 174.900 0.065 0.000 1.150 49 G CA 0.330 45.452 45.100 0.036 0.000 0.763 49 G HN 0.273 nan 8.290 nan 0.000 0.561 50 Q N -0.188 119.632 119.800 0.034 0.000 2.226 50 Q HA 0.054 4.394 4.340 -0.000 0.000 0.204 50 Q C 2.491 178.519 176.000 0.046 0.000 0.975 50 Q CA 0.868 56.690 55.803 0.032 0.000 0.866 50 Q CB -0.230 28.513 28.738 0.008 0.000 0.915 50 Q HN 0.566 nan 8.270 nan 0.000 0.440 51 M N 0.101 119.730 119.600 0.048 0.000 2.618 51 M HA 0.101 4.581 4.480 -0.000 0.000 0.240 51 M C 0.050 176.384 176.300 0.056 0.000 1.123 51 M CA 0.274 55.601 55.300 0.045 0.000 1.060 51 M CB 0.275 32.896 32.600 0.035 0.000 1.535 51 M HN -0.063 nan 8.290 nan 0.000 0.507 52 L N 0.672 121.948 121.223 0.087 0.000 2.329 52 L HA 0.547 4.887 4.340 -0.000 0.000 0.279 52 L C -0.441 176.448 176.870 0.033 0.000 1.014 52 L CA -0.277 54.611 54.840 0.080 0.000 0.814 52 L CB 1.914 44.070 42.059 0.160 0.000 1.257 52 L HN 0.202 nan 8.230 nan 0.000 0.424 53 M N 6.331 125.902 119.600 -0.048 0.000 1.960 53 M HA 0.389 4.869 4.480 -0.000 0.000 0.271 53 M C -2.653 173.525 176.300 -0.203 0.000 0.862 53 M CA -1.531 53.703 55.300 -0.109 0.000 0.854 53 M CB 1.548 34.146 32.600 -0.004 0.000 1.575 53 M HN 0.191 nan 8.290 nan 0.000 0.375 54 P HA 0.208 nan 4.420 nan 0.000 0.276 54 P C -1.403 175.665 177.300 -0.386 0.000 1.261 54 P CA -0.019 62.790 63.100 -0.484 0.000 0.800 54 P CB 0.837 31.958 31.700 -0.964 0.000 1.066 55 D N -0.247 119.982 120.400 -0.284 0.000 2.268 55 D HA 0.257 4.897 4.640 -0.000 0.000 0.249 55 D C -1.105 174.950 176.300 -0.408 0.000 1.008 55 D CA -0.537 53.384 54.000 -0.132 0.000 0.939 55 D CB 1.094 42.040 40.800 0.243 0.000 1.170 55 D HN 0.228 nan 8.370 nan 0.000 0.468 56 F N 0.426 120.504 119.950 0.214 0.000 2.584 56 F HA 0.292 4.819 4.527 -0.000 0.000 0.328 56 F C 1.722 177.691 175.800 0.282 0.000 1.407 56 F CA -0.894 57.272 58.000 0.276 0.000 1.145 56 F CB 0.861 40.005 39.000 0.241 0.000 1.440 56 F HN 0.293 nan 8.300 nan 0.000 0.580 57 R N 0.662 121.379 120.500 0.361 0.000 2.070 57 R HA -0.044 4.296 4.340 -0.000 0.000 0.233 57 R C 0.086 176.553 176.300 0.277 0.000 1.137 57 R CA 1.382 57.669 56.100 0.311 0.000 0.945 57 R CB 0.163 30.563 30.300 0.167 0.000 0.845 57 R HN 0.313 nan 8.270 nan 0.000 0.430 58 N N -1.161 117.706 118.700 0.277 0.000 2.328 58 N HA 0.198 4.938 4.740 -0.000 0.000 0.299 58 N C -1.663 174.096 175.510 0.414 0.000 1.179 58 N CA -0.380 52.828 53.050 0.264 0.000 0.793 58 N CB 1.669 40.242 38.487 0.144 0.000 1.366 58 N HN 0.216 nan 8.380 nan 0.000 0.493 59 W N 1.096 122.466 121.300 0.116 0.000 3.256 59 W HA 0.216 4.876 4.660 0.000 0.000 0.324 59 W C -1.432 175.129 176.519 0.070 0.000 1.196 59 W CA -0.351 57.062 57.345 0.113 0.000 1.206 59 W CB 1.722 31.247 29.460 0.109 0.000 1.385 59 W HN 0.441 nan 8.180 nan 0.000 0.522 60 Q N 5.272 124.720 119.800 -0.587 0.000 2.425 60 Q HA 0.251 4.591 4.340 -0.000 0.000 0.254 60 Q C -0.338 175.414 176.000 -0.414 0.000 1.032 60 Q CA -0.237 55.352 55.803 -0.357 0.000 0.798 60 Q CB 1.132 29.682 28.738 -0.314 0.000 1.210 60 Q HN 0.335 nan 8.270 nan 0.000 0.491 61 K N 1.767 122.151 120.400 -0.026 0.000 2.230 61 K HA -0.005 4.315 4.320 -0.000 0.000 0.253 61 K C -0.016 176.605 176.600 0.036 0.000 1.008 61 K CA -0.279 56.092 56.287 0.139 0.000 0.910 61 K CB 0.464 33.085 32.500 0.203 0.000 0.994 61 K HN 0.539 nan 8.250 nan 0.000 0.495 62 E N 0.327 120.572 120.200 0.075 0.000 2.652 62 E HA -0.095 4.255 4.350 -0.000 0.000 0.255 62 E C 0.772 177.389 176.600 0.028 0.000 0.952 62 E CA 1.746 58.170 56.400 0.040 0.000 0.947 62 E CB -0.239 29.495 29.700 0.056 0.000 0.912 62 E HN 0.692 nan 8.360 nan 0.000 0.489 63 G N 3.654 112.459 108.800 0.009 0.000 2.213 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.236 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.236 63 G C 0.082 174.983 174.900 0.002 0.000 0.991 63 G CA 0.262 45.367 45.100 0.007 0.000 0.629 63 G HN 0.557 nan 8.290 nan 0.000 0.517 64 E N 0.152 120.350 120.200 -0.004 0.000 2.280 64 E HA 0.580 4.930 4.350 -0.000 0.000 0.264 64 E C 1.176 177.759 176.600 -0.029 0.000 1.064 64 E CA 0.015 56.409 56.400 -0.010 0.000 0.900 64 E CB 1.173 30.871 29.700 -0.002 0.000 1.123 64 E HN 0.422 nan 8.360 nan 0.000 0.418 65 S N -0.638 115.046 115.700 -0.026 0.000 2.540 65 S HA 0.189 4.659 4.470 -0.000 0.000 0.222 65 S C 0.343 174.918 174.600 -0.041 0.000 1.008 65 S CA -0.390 57.790 58.200 -0.033 0.000 0.939 65 S CB 0.692 63.879 63.200 -0.022 0.000 0.865 65 S HN 0.240 nan 8.310 nan 0.000 0.499 66 S N 1.421 117.096 115.700 -0.042 0.000 2.537 66 S HA 0.615 5.085 4.470 -0.000 0.000 0.271 66 S C -3.238 171.337 174.600 -0.042 0.000 1.148 66 S CA -1.086 57.087 58.200 -0.044 0.000 0.868 66 S CB 1.274 64.458 63.200 -0.026 0.000 1.115 66 S HN 0.014 nan 8.310 nan 0.000 0.461 67 P HA 0.252 nan 4.420 nan 0.000 0.266 67 P C -1.079 176.238 177.300 0.029 0.000 1.195 67 P CA -0.055 63.032 63.100 -0.022 0.000 0.768 67 P CB 0.373 32.064 31.700 -0.015 0.000 0.838 68 Q N 0.993 120.837 119.800 0.074 0.000 2.433 68 Q HA 0.600 4.940 4.340 -0.000 0.000 0.279 68 Q C -0.448 175.629 176.000 0.128 0.000 1.105 68 Q CA -1.088 54.765 55.803 0.084 0.000 0.815 68 Q CB 1.966 30.752 28.738 0.078 0.000 1.403 68 Q HN 0.459 nan 8.270 nan 0.000 0.435 69 A N 1.416 124.300 122.820 0.107 0.000 2.567 69 A HA 0.122 4.442 4.320 -0.000 0.000 0.240 69 A C -0.191 177.481 177.584 0.146 0.000 1.053 69 A CA -0.084 52.028 52.037 0.125 0.000 0.755 69 A CB -0.222 18.834 19.000 0.094 0.000 0.978 69 A HN 0.549 nan 8.150 nan 0.000 0.507 70 L N 4.190 125.523 121.223 0.182 0.000 2.302 70 L HA 0.339 4.679 4.340 -0.000 0.000 0.285 70 L C 1.373 178.311 176.870 0.115 0.000 1.090 70 L CA 0.848 55.784 54.840 0.161 0.000 0.866 70 L CB 0.446 42.626 42.059 0.202 0.000 1.244 70 L HN 0.809 nan 8.230 nan 0.000 0.435 71 T N 0.292 114.892 114.554 0.076 0.000 3.022 71 T HA 0.193 4.543 4.350 -0.000 0.000 0.250 71 T C 0.600 175.311 174.700 0.020 0.000 1.060 71 T CA -0.136 61.998 62.100 0.056 0.000 1.013 71 T CB 0.041 68.938 68.868 0.048 0.000 0.982 71 T HN 0.419 nan 8.240 nan 0.000 0.508 72 K N 0.696 121.092 120.400 -0.007 0.000 2.468 72 K HA 0.565 4.885 4.320 -0.000 0.000 0.252 72 K C -0.885 175.646 176.600 -0.116 0.000 0.932 72 K CA -1.038 55.220 56.287 -0.049 0.000 0.794 72 K CB 1.963 34.445 32.500 -0.030 0.000 1.241 72 K HN 0.025 nan 8.250 nan 0.000 0.428 73 M N 3.262 122.752 119.600 -0.183 0.000 2.248 73 M HA 0.155 4.635 4.480 -0.000 0.000 0.337 73 M C -0.785 175.382 176.300 -0.220 0.000 1.121 73 M CA 0.636 55.761 55.300 -0.292 0.000 1.155 73 M CB 0.196 32.596 32.600 -0.333 0.000 1.514 73 M HN 0.722 nan 8.290 nan 0.000 0.452 74 N N 0.861 119.395 118.700 -0.277 0.000 2.455 74 N HA 0.427 5.167 4.740 -0.000 0.000 0.278 74 N C -0.711 174.670 175.510 -0.216 0.000 1.291 74 N CA -0.789 52.146 53.050 -0.192 0.000 0.780 74 N CB 0.700 39.109 38.487 -0.129 0.000 1.520 74 N HN 0.521 nan 8.380 nan 0.000 0.486 75 D N -0.180 120.144 120.400 -0.128 0.000 2.310 75 D HA -0.079 4.561 4.640 -0.000 0.000 0.212 75 D C 0.707 176.941 176.300 -0.110 0.000 0.965 75 D CA 0.965 54.899 54.000 -0.109 0.000 0.879 75 D CB 0.150 40.917 40.800 -0.056 0.000 0.921 75 D HN 0.660 nan 8.370 nan 0.000 0.510 76 E N 0.234 120.373 120.200 -0.102 0.000 2.028 76 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 76 E C 2.293 178.736 176.600 -0.262 0.000 0.988 76 E CA 0.615 56.992 56.400 -0.038 0.000 0.799 76 E CB 0.072 29.904 29.700 0.220 0.000 0.755 76 E HN 0.047 nan 8.360 nan 0.000 0.447 77 V N 1.732 121.235 119.914 -0.685 0.000 2.332 77 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 77 V C 2.392 178.190 176.094 -0.494 0.000 1.055 77 V CA 1.891 63.625 62.300 -0.944 0.000 1.038 77 V CB -0.818 30.276 31.823 -1.216 0.000 0.651 77 V HN 0.327 nan 8.190 nan 0.000 0.450 78 A N 0.750 123.352 122.820 -0.364 0.000 1.940 78 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 78 A C 2.553 180.062 177.584 -0.125 0.000 1.176 78 A CA 2.414 54.321 52.037 -0.216 0.000 0.631 78 A CB -0.786 18.103 19.000 -0.185 0.000 0.814 78 A HN 0.715 nan 8.150 nan 0.000 0.446 79 S N -0.235 115.400 115.700 -0.108 0.000 2.423 79 S HA -0.040 4.430 4.470 -0.000 0.000 0.231 79 S C 1.818 176.403 174.600 -0.026 0.000 1.014 79 S CA 1.330 59.497 58.200 -0.055 0.000 0.965 79 S CB -0.589 62.598 63.200 -0.021 0.000 0.785 79 S HN 0.478 nan 8.310 nan 0.000 0.495 80 L N 0.874 122.117 121.223 0.035 0.000 2.131 80 L HA 0.042 4.382 4.340 -0.000 0.000 0.206 80 L C 2.660 179.601 176.870 0.119 0.000 1.087 80 L CA 0.622 55.592 54.840 0.215 0.000 0.767 80 L CB -0.695 41.662 42.059 0.497 0.000 0.917 80 L HN 0.232 nan 8.230 nan 0.000 0.441 81 V N 0.372 120.352 119.914 0.110 0.000 2.332 81 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 81 V C 2.482 178.513 176.094 -0.104 0.000 1.055 81 V CA 1.827 64.177 62.300 0.084 0.000 1.038 81 V CB -0.561 31.371 31.823 0.183 0.000 0.651 81 V HN 0.428 nan 8.190 nan 0.000 0.450 82 K N -0.016 120.329 120.400 -0.092 0.000 2.097 82 K HA -0.199 4.121 4.320 -0.000 0.000 0.205 82 K C 2.283 178.770 176.600 -0.188 0.000 1.050 82 K CA 1.506 57.722 56.287 -0.118 0.000 0.938 82 K CB -0.172 32.273 32.500 -0.091 0.000 0.718 82 K HN 0.398 nan 8.250 nan 0.000 0.442 83 K N 0.047 120.295 120.400 -0.254 0.000 2.031 83 K HA -0.123 4.197 4.320 -0.000 0.000 0.205 83 K C 1.436 177.705 176.600 -0.552 0.000 1.049 83 K CA 1.351 57.389 56.287 -0.416 0.000 0.939 83 K CB 0.056 32.229 32.500 -0.545 0.000 0.717 83 K HN 0.084 nan 8.250 nan 0.000 0.438 84 Y N 0.804 120.867 120.300 -0.396 0.000 2.497 84 Y HA 0.179 4.729 4.550 -0.000 0.000 0.265 84 Y C 0.040 175.567 175.900 -0.621 0.000 1.111 84 Y CA 0.123 57.880 58.100 -0.571 0.000 1.288 84 Y CB 0.366 38.258 38.460 -0.948 0.000 1.082 84 Y HN 0.116 nan 8.280 nan 0.000 0.536 85 Q N -0.139 119.390 119.800 -0.451 0.000 2.460 85 Q HA -0.212 4.128 4.340 -0.000 0.000 0.311 85 Q C -0.992 174.896 176.000 -0.187 0.000 1.396 85 Q CA 0.024 55.676 55.803 -0.252 0.000 0.838 85 Q CB -2.408 26.242 28.738 -0.147 0.000 1.140 85 Q HN 0.284 nan 8.270 nan 0.000 0.415 86 F N -0.285 119.667 119.950 0.003 0.000 2.595 86 F HA 0.107 4.634 4.527 -0.000 0.000 0.359 86 F C 1.901 177.674 175.800 -0.044 0.000 1.147 86 F CA 0.884 58.863 58.000 -0.035 0.000 1.341 86 F CB 0.230 39.197 39.000 -0.055 0.000 1.104 86 F HN 0.195 nan 8.300 nan 0.000 0.603 87 G N 0.558 109.452 108.800 0.157 0.000 2.484 87 G HA2 0.385 4.345 3.960 -0.000 0.000 0.218 87 G HA3 0.385 4.345 3.960 -0.000 0.000 0.218 87 G C 0.500 175.417 174.900 0.028 0.000 1.130 87 G CA 0.636 45.770 45.100 0.055 0.000 0.784 87 G HN 1.071 nan 8.290 nan 0.000 0.543 88 G N -1.045 107.778 108.800 0.039 0.000 2.506 88 G HA2 0.465 4.425 3.960 -0.000 0.000 0.292 88 G HA3 0.465 4.425 3.960 -0.000 0.000 0.292 88 G C -1.984 172.847 174.900 -0.115 0.000 1.425 88 G CA -0.724 44.349 45.100 -0.045 0.000 0.788 88 G HN 0.048 nan 8.290 nan 0.000 0.490 89 I N 0.680 121.127 120.570 -0.206 0.000 2.619 89 I HA 0.461 4.631 4.170 -0.000 0.000 0.292 89 I C -0.535 175.432 176.117 -0.250 0.000 1.100 89 I CA -0.729 60.405 61.300 -0.277 0.000 1.043 89 I CB 1.764 39.459 38.000 -0.509 0.000 1.239 89 I HN 0.624 nan 8.210 nan 0.000 0.420 90 I N 6.194 126.645 120.570 -0.198 0.000 2.353 90 I HA 0.396 4.566 4.170 -0.000 0.000 0.293 90 I C -0.911 175.028 176.117 -0.297 0.000 0.992 90 I CA -0.476 60.674 61.300 -0.250 0.000 1.268 90 I CB 0.996 38.896 38.000 -0.167 0.000 1.387 90 I HN 0.414 nan 8.210 nan 0.000 0.478 91 L N 7.660 128.664 121.223 -0.365 0.000 2.322 91 L HA 0.492 4.832 4.340 -0.000 0.000 0.279 91 L C -0.821 175.778 176.870 -0.452 0.000 1.036 91 L CA -0.435 54.259 54.840 -0.243 0.000 0.807 91 L CB 1.338 43.316 42.059 -0.135 0.000 1.226 91 L HN 0.526 nan 8.230 nan 0.000 0.433 92 F N -0.457 119.527 119.950 0.058 0.000 2.631 92 F HA 0.482 5.009 4.527 0.000 0.000 0.350 92 F C 1.219 177.053 175.800 0.056 0.000 1.080 92 F CA -0.474 57.562 58.000 0.061 0.000 1.026 92 F CB 1.441 40.483 39.000 0.069 0.000 1.347 92 F HN 0.494 nan 8.300 nan 0.000 0.501 93 A N 0.003 122.992 122.820 0.281 0.000 1.978 93 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 93 A C 1.786 179.451 177.584 0.136 0.000 1.170 93 A CA 1.918 54.049 52.037 0.157 0.000 0.636 93 A CB -0.743 18.334 19.000 0.128 0.000 0.810 93 A HN 0.832 nan 8.150 nan 0.000 0.448 94 E N 0.311 120.609 120.200 0.163 0.000 2.209 94 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 94 E C 1.368 178.048 176.600 0.135 0.000 0.993 94 E CA 1.652 58.132 56.400 0.133 0.000 0.819 94 E CB -0.345 29.443 29.700 0.145 0.000 0.745 94 E HN 0.857 nan 8.360 nan 0.000 0.477 95 N N -0.779 118.016 118.700 0.159 0.000 2.353 95 N HA 0.008 4.748 4.740 -0.000 0.000 0.185 95 N C 0.014 175.585 175.510 0.102 0.000 1.098 95 N CA 0.579 53.715 53.050 0.144 0.000 0.872 95 N CB 1.105 39.700 38.487 0.179 0.000 0.970 95 N HN 0.049 nan 8.380 nan 0.000 0.467 96 V N -2.949 117.015 119.914 0.083 0.000 2.792 96 V HA 0.334 4.454 4.120 -0.000 0.000 0.360 96 V C 0.696 176.817 176.094 0.045 0.000 1.306 96 V CA -0.639 61.694 62.300 0.056 0.000 1.245 96 V CB 0.216 32.064 31.823 0.042 0.000 1.382 96 V HN -0.029 nan 8.190 nan 0.000 0.636 97 K N 1.689 122.117 120.400 0.045 0.000 2.097 97 K HA 0.041 4.361 4.320 -0.000 0.000 0.205 97 K C 1.075 177.687 176.600 0.021 0.000 1.050 97 K CA 1.729 58.035 56.287 0.032 0.000 0.938 97 K CB 0.019 32.536 32.500 0.030 0.000 0.718 97 K HN 0.808 nan 8.250 nan 0.000 0.442 98 T N -3.282 111.285 114.554 0.021 0.000 2.907 98 T HA 0.213 4.563 4.350 -0.000 0.000 0.292 98 T C 0.912 175.622 174.700 0.016 0.000 1.043 98 T CA -0.852 61.257 62.100 0.014 0.000 1.003 98 T CB 1.993 70.867 68.868 0.009 0.000 1.084 98 T HN -0.160 nan 8.240 nan 0.000 0.483 99 T N 1.232 115.794 114.554 0.013 0.000 2.708 99 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 99 T C 1.815 176.522 174.700 0.013 0.000 1.037 99 T CA 1.716 63.824 62.100 0.014 0.000 1.146 99 T CB -0.339 68.537 68.868 0.012 0.000 0.865 99 T HN 0.773 nan 8.240 nan 0.000 0.435 100 K N 0.738 121.143 120.400 0.009 0.000 2.026 100 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 100 K C 2.419 179.024 176.600 0.009 0.000 1.048 100 K CA 1.410 57.702 56.287 0.007 0.000 0.929 100 K CB -0.087 32.416 32.500 0.004 0.000 0.713 100 K HN 0.370 nan 8.250 nan 0.000 0.439 101 Q N -0.424 119.382 119.800 0.011 0.000 2.119 101 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 101 Q C 1.998 178.010 176.000 0.020 0.000 0.972 101 Q CA 1.899 57.709 55.803 0.013 0.000 0.847 101 Q CB 0.036 28.784 28.738 0.016 0.000 0.903 101 Q HN 0.369 nan 8.270 nan 0.000 0.433 102 T N 0.432 115.001 114.554 0.025 0.000 2.708 102 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 102 T C 2.015 176.734 174.700 0.032 0.000 1.037 102 T CA 1.241 63.362 62.100 0.034 0.000 1.146 102 T CB -0.206 68.680 68.868 0.030 0.000 0.865 102 T HN 0.050 nan 8.240 nan 0.000 0.435 103 V N 1.525 121.452 119.914 0.022 0.000 2.343 103 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 103 V C 2.647 178.752 176.094 0.018 0.000 1.051 103 V CA 1.852 64.163 62.300 0.019 0.000 1.036 103 V CB -0.695 31.136 31.823 0.013 0.000 0.654 103 V HN 0.371 nan 8.190 nan 0.000 0.451 104 Q N -0.131 119.675 119.800 0.010 0.000 2.084 104 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 104 Q C 1.970 177.968 176.000 -0.004 0.000 0.978 104 Q CA 1.928 57.730 55.803 -0.001 0.000 0.844 104 Q CB -0.541 28.191 28.738 -0.009 0.000 0.898 104 Q HN 0.538 nan 8.270 nan 0.000 0.426 105 L N 0.054 121.284 121.223 0.010 0.000 2.056 105 L HA -0.121 4.219 4.340 -0.000 0.000 0.207 105 L C 2.243 179.173 176.870 0.099 0.000 1.078 105 L CA 2.552 57.402 54.840 0.016 0.000 0.749 105 L CB -1.131 40.962 42.059 0.056 0.000 0.901 105 L HN 0.538 nan 8.230 nan 0.000 0.433 106 T N -4.445 110.178 114.554 0.115 0.000 2.821 106 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 106 T C 1.710 176.469 174.700 0.099 0.000 1.046 106 T CA 1.176 63.359 62.100 0.138 0.000 1.139 106 T CB -0.628 68.281 68.868 0.068 0.000 0.871 106 T HN 0.252 nan 8.240 nan 0.000 0.454 107 D N 1.751 122.181 120.400 0.050 0.000 2.104 107 D HA -0.077 4.563 4.640 -0.000 0.000 0.194 107 D C 1.986 178.298 176.300 0.020 0.000 0.994 107 D CA 1.160 55.177 54.000 0.029 0.000 0.830 107 D CB -0.447 40.359 40.800 0.011 0.000 0.959 107 D HN 0.377 nan 8.370 nan 0.000 0.452 108 D N -0.864 119.531 120.400 -0.009 0.000 2.144 108 D HA -0.136 4.504 4.640 -0.000 0.000 0.200 108 D C 2.002 178.264 176.300 -0.063 0.000 0.978 108 D CA 0.655 54.615 54.000 -0.066 0.000 0.833 108 D CB -0.435 40.284 40.800 -0.136 0.000 0.961 108 D HN 0.379 nan 8.370 nan 0.000 0.470 109 Y N 1.155 121.435 120.300 -0.034 0.000 2.181 109 Y HA -0.198 4.352 4.550 -0.000 0.000 0.288 109 Y C 2.615 178.501 175.900 -0.022 0.000 1.146 109 Y CA 0.902 58.985 58.100 -0.028 0.000 1.164 109 Y CB 0.175 38.628 38.460 -0.012 0.000 0.982 109 Y HN -0.068 nan 8.280 nan 0.000 0.515 110 Q N 0.311 120.196 119.800 0.143 0.000 2.167 110 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 110 Q C 2.098 178.120 176.000 0.036 0.000 0.970 110 Q CA 1.314 57.158 55.803 0.069 0.000 0.855 110 Q CB -0.337 28.428 28.738 0.044 0.000 0.911 110 Q HN 0.483 nan 8.270 nan 0.000 0.438 111 K N 0.518 120.930 120.400 0.021 0.000 2.097 111 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 111 K C 1.911 178.505 176.600 -0.010 0.000 1.049 111 K CA 1.129 57.414 56.287 -0.003 0.000 0.933 111 K CB -0.007 32.482 32.500 -0.018 0.000 0.717 111 K HN 0.112 nan 8.250 nan 0.000 0.442 112 A N 0.534 123.350 122.820 -0.006 0.000 2.014 112 A HA -0.008 4.312 4.320 -0.000 0.000 0.218 112 A C 1.234 178.820 177.584 0.003 0.000 1.163 112 A CA 0.702 52.730 52.037 -0.016 0.000 0.652 112 A CB -0.247 18.733 19.000 -0.033 0.000 0.808 112 A HN 0.299 nan 8.150 nan 0.000 0.449 113 S N 0.806 116.523 115.700 0.028 0.000 2.481 113 S HA 0.274 4.744 4.470 -0.000 0.000 0.282 113 S C -0.984 173.603 174.600 -0.022 0.000 1.243 113 S CA -1.097 57.109 58.200 0.011 0.000 1.078 113 S CB 0.742 63.951 63.200 0.015 0.000 0.916 113 S HN 0.333 nan 8.310 nan 0.000 0.495 114 P HA 0.067 nan 4.420 nan 0.000 0.221 114 P C 0.393 177.669 177.300 -0.039 0.000 1.155 114 P CA 0.984 64.059 63.100 -0.041 0.000 0.812 114 P CB 0.277 31.945 31.700 -0.054 0.000 0.801 115 K N -1.694 118.672 120.400 -0.056 0.000 2.556 115 K HA 0.307 4.627 4.320 -0.000 0.000 0.201 115 K C 0.628 177.160 176.600 -0.113 0.000 1.423 115 K CA 0.171 56.425 56.287 -0.054 0.000 1.010 115 K CB 0.993 33.466 32.500 -0.045 0.000 1.409 115 K HN 0.031 nan 8.250 nan 0.000 0.538 116 I N 2.964 123.418 120.570 -0.193 0.000 2.466 116 I HA 0.283 4.453 4.170 -0.000 0.000 0.289 116 I C -2.674 173.261 176.117 -0.304 0.000 1.026 116 I CA -2.669 58.376 61.300 -0.425 0.000 1.078 116 I CB 2.054 39.791 38.000 -0.437 0.000 1.249 116 I HN -0.197 nan 8.210 nan 0.000 0.429 117 P HA 0.102 nan 4.420 nan 0.000 0.266 117 P C -0.707 176.518 177.300 -0.125 0.000 1.195 117 P CA -0.020 62.993 63.100 -0.145 0.000 0.768 117 P CB 0.425 32.079 31.700 -0.076 0.000 0.838 118 L N 2.847 124.031 121.223 -0.066 0.000 2.397 118 L HA 0.244 4.584 4.340 -0.000 0.000 0.271 118 L C 1.000 177.829 176.870 -0.069 0.000 1.148 118 L CA -0.252 54.552 54.840 -0.060 0.000 0.825 118 L CB 0.040 42.066 42.059 -0.055 0.000 1.117 118 L HN 0.291 nan 8.230 nan 0.000 0.456 119 M N 4.325 123.883 119.600 -0.070 0.000 2.217 119 M HA 0.223 4.703 4.480 -0.000 0.000 0.352 119 M C -0.781 175.436 176.300 -0.138 0.000 1.376 119 M CA 0.371 55.620 55.300 -0.086 0.000 1.107 119 M CB 0.271 32.835 32.600 -0.061 0.000 1.723 119 M HN 0.370 nan 8.290 nan 0.000 0.461 120 L N 3.897 125.024 121.223 -0.161 0.000 2.295 120 L HA 0.434 4.774 4.340 -0.000 0.000 0.281 120 L C 0.022 176.736 176.870 -0.260 0.000 1.018 120 L CA -0.492 54.221 54.840 -0.211 0.000 0.841 120 L CB 1.135 43.094 42.059 -0.167 0.000 1.218 120 L HN 0.743 nan 8.230 nan 0.000 0.424 121 S N 3.857 119.345 115.700 -0.354 0.000 2.704 121 S HA 0.891 5.361 4.470 -0.000 0.000 0.305 121 S C -0.609 173.680 174.600 -0.519 0.000 1.107 121 S CA -0.754 57.096 58.200 -0.583 0.000 0.993 121 S CB 2.850 65.464 63.200 -0.976 0.000 1.110 121 S HN 0.555 nan 8.310 nan 0.000 0.534 122 I N -0.370 119.847 120.570 -0.588 0.000 2.947 122 I HA 0.278 4.448 4.170 -0.000 0.000 0.301 122 I C -1.829 174.156 176.117 -0.220 0.000 1.453 122 I CA -0.566 60.522 61.300 -0.354 0.000 0.984 122 I CB 2.146 40.009 38.000 -0.228 0.000 1.333 122 I HN 0.707 nan 8.210 nan 0.000 0.475 123 D N 5.457 125.813 120.400 -0.073 0.000 2.767 123 D HA 0.111 4.751 4.640 -0.000 0.000 0.241 123 D C -0.521 175.803 176.300 0.039 0.000 1.187 123 D CA 0.087 54.125 54.000 0.064 0.000 0.999 123 D CB 0.836 41.726 40.800 0.150 0.000 1.042 123 D HN 0.271 nan 8.370 nan 0.000 0.510 124 Q N 1.201 121.003 119.800 0.003 0.000 2.810 124 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 124 Q C 0.703 176.717 176.000 0.024 0.000 1.278 124 Q CA -0.013 55.800 55.803 0.017 0.000 1.065 124 Q CB 0.189 28.926 28.738 -0.001 0.000 1.364 124 Q HN 0.220 nan 8.270 nan 0.000 0.570 125 E N 1.277 121.499 120.200 0.037 0.000 2.112 125 E HA 0.177 4.527 4.350 -0.000 0.000 0.190 125 E C 0.384 176.993 176.600 0.016 0.000 0.979 125 E CA 0.573 56.983 56.400 0.016 0.000 0.814 125 E CB 0.221 29.931 29.700 0.017 0.000 0.762 125 E HN 0.756 nan 8.360 nan 0.000 0.460 126 G N -0.448 108.388 108.800 0.060 0.000 2.663 126 G HA2 0.115 4.075 3.960 -0.000 0.000 0.686 126 G HA3 0.115 4.075 3.960 -0.000 0.000 0.686 126 G C 0.428 175.374 174.900 0.077 0.000 1.246 126 G CA -0.679 44.487 45.100 0.111 0.000 0.795 126 G HN 0.599 nan 8.290 nan 0.000 0.627 127 G N -0.041 108.818 108.800 0.099 0.000 2.565 127 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.295 127 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.295 127 G C 1.569 176.466 174.900 -0.005 0.000 1.165 127 G CA 2.263 47.393 45.100 0.050 0.000 0.977 127 G HN 2.495 nan 8.290 nan 0.000 0.546 128 I N -0.685 119.881 120.570 -0.007 0.000 3.428 128 I HA 0.493 4.663 4.170 -0.000 0.000 0.286 128 I C 0.380 176.518 176.117 0.036 0.000 1.287 128 I CA 0.391 61.665 61.300 -0.043 0.000 1.396 128 I CB 0.028 38.065 38.000 0.061 0.000 1.062 128 I HN 0.229 nan 8.210 nan 0.000 0.471 129 V N 2.734 122.680 119.914 0.054 0.000 2.340 129 V HA 0.420 4.540 4.120 -0.000 0.000 0.277 129 V C -0.060 176.076 176.094 0.069 0.000 1.017 129 V CA -0.052 62.295 62.300 0.079 0.000 0.820 129 V CB 0.820 32.704 31.823 0.102 0.000 1.028 129 V HN 0.530 nan 8.190 nan 0.000 0.436 130 T N 1.423 116.016 114.554 0.064 0.000 2.896 130 T HA 0.671 5.021 4.350 -0.000 0.000 0.297 130 T C 0.221 174.961 174.700 0.067 0.000 1.108 130 T CA -0.876 61.261 62.100 0.062 0.000 1.004 130 T CB 3.096 71.996 68.868 0.053 0.000 1.159 130 T HN 0.284 nan 8.240 nan 0.000 0.499 131 R N 0.137 120.672 120.500 0.058 0.000 2.412 131 R HA 0.333 4.673 4.340 -0.000 0.000 0.212 131 R C 0.411 176.741 176.300 0.049 0.000 0.878 131 R CA -0.120 56.020 56.100 0.066 0.000 1.022 131 R CB -0.347 29.989 30.300 0.059 0.000 1.265 131 R HN 0.619 nan 8.270 nan 0.000 0.620 132 L N 1.491 122.736 121.223 0.036 0.000 2.477 132 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 132 L C 1.698 178.583 176.870 0.026 0.000 1.157 132 L CA 0.109 54.968 54.840 0.030 0.000 0.889 132 L CB 0.704 42.781 42.059 0.030 0.000 1.158 132 L HN 0.235 nan 8.230 nan 0.000 0.473 133 G N 2.384 111.198 108.800 0.024 0.000 2.471 133 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 133 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 133 G C 0.968 175.871 174.900 0.005 0.000 1.125 133 G CA 0.290 45.398 45.100 0.013 0.000 0.775 133 G HN 0.797 nan 8.290 nan 0.000 0.548 134 E N -0.369 119.838 120.200 0.010 0.000 2.714 134 E HA 0.224 4.574 4.350 -0.000 0.000 0.219 134 E C 1.141 177.750 176.600 0.014 0.000 0.979 134 E CA -0.380 56.025 56.400 0.007 0.000 1.092 134 E CB 1.137 30.841 29.700 0.007 0.000 1.049 134 E HN 0.266 nan 8.360 nan 0.000 0.487 135 G N 0.616 109.428 108.800 0.019 0.000 2.557 135 G HA2 0.213 4.173 3.960 -0.000 0.000 0.292 135 G HA3 0.213 4.173 3.960 -0.000 0.000 0.292 135 G C -0.037 174.862 174.900 -0.003 0.000 1.237 135 G CA -0.285 44.833 45.100 0.029 0.000 0.978 135 G HN -0.089 nan 8.290 nan 0.000 0.498 136 T N 1.522 116.064 114.554 -0.021 0.000 2.737 136 T HA 0.119 4.469 4.350 -0.000 0.000 0.296 136 T C 1.258 175.841 174.700 -0.196 0.000 0.922 136 T CA -0.449 61.533 62.100 -0.196 0.000 1.079 136 T CB 0.862 69.516 68.868 -0.357 0.000 0.892 136 T HN 0.451 nan 8.240 nan 0.000 0.514 137 N N 2.385 120.975 118.700 -0.183 0.000 2.207 137 N HA 0.045 4.785 4.740 -0.000 0.000 0.182 137 N C 0.187 175.750 175.510 0.088 0.000 1.020 137 N CA 0.418 53.450 53.050 -0.031 0.000 0.858 137 N CB -0.343 38.131 38.487 -0.021 0.000 0.991 137 N HN 0.657 nan 8.380 nan 0.000 0.427 138 F N -1.345 118.608 119.950 0.005 0.000 2.183 138 F HA -0.200 4.327 4.527 -0.000 0.000 0.318 138 F C -1.759 174.045 175.800 0.006 0.000 1.197 138 F CA -0.281 57.721 58.000 0.003 0.000 0.913 138 F CB -0.748 38.251 39.000 -0.003 0.000 4.134 138 F HN 0.040 nan 8.300 nan 0.000 0.138 139 P HA 0.206 nan 4.420 nan 0.000 0.235 139 P C 0.665 178.035 177.300 0.116 0.000 1.177 139 P CA 1.684 64.869 63.100 0.141 0.000 0.785 139 P CB 0.670 32.453 31.700 0.137 0.000 0.885 140 G N 0.463 109.330 108.800 0.112 0.000 2.525 140 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.685 140 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.685 140 G C 0.252 175.147 174.900 -0.008 0.000 1.290 140 G CA -0.213 44.913 45.100 0.043 0.000 0.915 140 G HN -0.024 nan 8.290 nan 0.000 0.548 141 N N -0.647 117.982 118.700 -0.119 0.000 2.142 141 N HA -0.050 4.690 4.740 -0.000 0.000 0.186 141 N C 2.448 177.891 175.510 -0.110 0.000 1.023 141 N CA 1.838 54.728 53.050 -0.266 0.000 0.852 141 N CB -0.238 37.762 38.487 -0.811 0.000 0.998 141 N HN 0.579 nan 8.380 nan 0.000 0.424 142 M N 0.088 119.607 119.600 -0.135 0.000 2.229 142 M HA -0.013 4.466 4.480 -0.000 0.000 0.264 142 M C 1.771 177.805 176.300 -0.443 0.000 1.063 142 M CA 0.997 56.166 55.300 -0.218 0.000 1.114 142 M CB 0.060 32.549 32.600 -0.184 0.000 1.387 142 M HN 0.173 nan 8.290 nan 0.000 0.420 143 A N 0.665 123.324 122.820 -0.269 0.000 1.877 143 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 143 A C 1.973 179.504 177.584 -0.088 0.000 1.186 143 A CA 1.495 53.425 52.037 -0.179 0.000 0.620 143 A CB -1.019 18.019 19.000 0.062 0.000 0.822 143 A HN 0.560 nan 8.150 nan 0.000 0.443 144 L N -0.604 120.626 121.223 0.012 0.000 2.042 144 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 144 L C 2.847 179.738 176.870 0.035 0.000 1.076 144 L CA 1.184 56.066 54.840 0.069 0.000 0.749 144 L CB -0.830 41.355 42.059 0.209 0.000 0.893 144 L HN 0.510 nan 8.230 nan 0.000 0.432 145 G N -0.548 108.291 108.800 0.065 0.000 2.446 145 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 145 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 145 G C 1.732 176.584 174.900 -0.080 0.000 1.168 145 G CA 0.860 45.965 45.100 0.009 0.000 0.771 145 G HN 0.492 nan 8.290 nan 0.000 0.551 146 A N 0.885 123.595 122.820 -0.183 0.000 1.972 146 A HA 0.330 4.650 4.320 -0.000 0.000 0.219 146 A C 2.707 180.262 177.584 -0.048 0.000 1.169 146 A CA 2.107 54.063 52.037 -0.135 0.000 0.635 146 A CB -0.545 18.329 19.000 -0.209 0.000 0.810 146 A HN 0.813 nan 8.150 nan 0.000 0.446 147 A N -2.220 120.574 122.820 -0.043 0.000 2.067 147 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 147 A C 1.370 178.929 177.584 -0.042 0.000 1.156 147 A CA 0.923 52.945 52.037 -0.025 0.000 0.683 147 A CB -0.140 18.854 19.000 -0.011 0.000 0.808 147 A HN 0.359 nan 8.150 nan 0.000 0.455 148 R N -1.208 119.258 120.500 -0.056 0.000 3.989 148 R HA -0.132 4.208 4.340 -0.000 0.000 0.377 148 R C 0.280 176.517 176.300 -0.105 0.000 1.158 148 R CA 1.095 57.151 56.100 -0.074 0.000 1.035 148 R CB -2.821 27.447 30.300 -0.055 0.000 1.557 148 R HN 0.605 nan 8.270 nan 0.000 0.551 149 S N 0.096 115.732 115.700 -0.108 0.000 2.422 149 S HA 0.417 4.887 4.470 -0.000 0.000 0.298 149 S C 1.373 175.849 174.600 -0.207 0.000 1.118 149 S CA -0.594 57.524 58.200 -0.137 0.000 1.083 149 S CB 1.134 64.281 63.200 -0.089 0.000 0.971 149 S HN 0.258 nan 8.310 nan 0.000 0.478 150 R N 3.729 124.027 120.500 -0.336 0.000 2.091 150 R HA -0.040 4.300 4.340 -0.000 0.000 0.238 150 R C 1.816 177.888 176.300 -0.380 0.000 1.136 150 R CA 1.957 57.695 56.100 -0.604 0.000 0.959 150 R CB -0.377 29.204 30.300 -1.198 0.000 0.856 150 R HN 0.694 nan 8.270 nan 0.000 0.437 151 I N 1.026 121.450 120.570 -0.243 0.000 2.226 151 I HA -0.304 3.866 4.170 -0.000 0.000 0.245 151 I C 1.522 177.646 176.117 0.012 0.000 1.100 151 I CA 1.566 62.822 61.300 -0.073 0.000 1.374 151 I CB -0.389 37.574 38.000 -0.062 0.000 1.057 151 I HN 0.275 nan 8.210 nan 0.000 0.413 152 N N 0.633 119.313 118.700 -0.034 0.000 2.188 152 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 152 N C 1.945 177.435 175.510 -0.033 0.000 1.018 152 N CA 1.143 54.182 53.050 -0.018 0.000 0.858 152 N CB -0.157 38.318 38.487 -0.021 0.000 0.989 152 N HN 0.333 nan 8.380 nan 0.000 0.426 153 A N 0.411 123.211 122.820 -0.034 0.000 1.898 153 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 153 A C 1.989 179.592 177.584 0.033 0.000 1.181 153 A CA 1.040 53.068 52.037 -0.015 0.000 0.620 153 A CB -0.965 18.000 19.000 -0.059 0.000 0.819 153 A HN 0.480 nan 8.150 nan 0.000 0.442 154 Y N 0.304 120.607 120.300 0.006 0.000 2.145 154 Y HA -0.284 4.266 4.550 -0.000 0.000 0.286 154 Y C 2.635 178.514 175.900 -0.036 0.000 1.145 154 Y CA 2.458 60.582 58.100 0.040 0.000 1.148 154 Y CB -0.302 38.239 38.460 0.134 0.000 0.981 154 Y HN 0.491 nan 8.280 nan 0.000 0.507 155 Q N -0.677 119.150 119.800 0.046 0.000 2.084 155 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 155 Q C 1.934 177.785 176.000 -0.248 0.000 0.978 155 Q CA 2.319 58.086 55.803 -0.060 0.000 0.844 155 Q CB -0.200 28.553 28.738 0.024 0.000 0.898 155 Q HN 0.478 nan 8.270 nan 0.000 0.426 156 T N -0.255 114.087 114.554 -0.353 0.000 2.708 156 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 156 T C 1.631 176.026 174.700 -0.509 0.000 1.037 156 T CA 1.268 62.935 62.100 -0.722 0.000 1.146 156 T CB -0.723 67.736 68.868 -0.681 0.000 0.865 156 T HN 0.606 nan 8.240 nan 0.000 0.435 157 G N 0.424 109.024 108.800 -0.332 0.000 2.422 157 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.218 157 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.218 157 G C 1.870 176.594 174.900 -0.293 0.000 1.146 157 G CA 1.257 46.196 45.100 -0.268 0.000 0.769 157 G HN 0.521 nan 8.290 nan 0.000 0.547 158 S N -0.046 115.421 115.700 -0.389 0.000 2.368 158 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 158 S C 2.402 176.877 174.600 -0.209 0.000 1.029 158 S CA 0.864 58.864 58.200 -0.334 0.000 0.988 158 S CB -0.238 62.715 63.200 -0.412 0.000 0.838 158 S HN 0.359 nan 8.310 nan 0.000 0.462 159 I N 1.179 121.616 120.570 -0.223 0.000 2.202 159 I HA -0.142 4.028 4.170 -0.000 0.000 0.242 159 I C 2.166 178.206 176.117 -0.129 0.000 1.091 159 I CA 1.146 62.301 61.300 -0.241 0.000 1.368 159 I CB -0.342 37.537 38.000 -0.201 0.000 1.058 159 I HN 0.322 nan 8.210 nan 0.000 0.410 160 I N 0.731 121.253 120.570 -0.081 0.000 2.163 160 I HA -0.256 3.914 4.170 -0.000 0.000 0.243 160 I C 2.663 178.757 176.117 -0.039 0.000 1.085 160 I CA 1.750 63.042 61.300 -0.012 0.000 1.347 160 I CB -0.945 37.028 38.000 -0.045 0.000 1.044 160 I HN 0.293 nan 8.210 nan 0.000 0.408 161 G N 0.696 109.446 108.800 -0.083 0.000 2.418 161 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 161 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 161 G C 1.750 176.628 174.900 -0.035 0.000 1.158 161 G CA 0.567 45.626 45.100 -0.069 0.000 0.771 161 G HN 0.321 nan 8.290 nan 0.000 0.545 162 K N 0.257 120.642 120.400 -0.026 0.000 2.097 162 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 162 K C 2.466 179.103 176.600 0.062 0.000 1.049 162 K CA 1.223 57.526 56.287 0.027 0.000 0.933 162 K CB -0.105 32.435 32.500 0.066 0.000 0.717 162 K HN 0.413 nan 8.250 nan 0.000 0.442 163 E N 0.808 121.050 120.200 0.069 0.000 2.047 163 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 163 E C 2.121 178.745 176.600 0.040 0.000 0.987 163 E CA 0.857 57.308 56.400 0.086 0.000 0.799 163 E CB -0.060 29.703 29.700 0.105 0.000 0.752 163 E HN 0.231 nan 8.360 nan 0.000 0.449 164 L N 0.673 121.904 121.223 0.012 0.000 2.046 164 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 164 L C 2.753 179.617 176.870 -0.011 0.000 1.077 164 L CA 0.905 55.738 54.840 -0.012 0.000 0.747 164 L CB -0.461 41.575 42.059 -0.039 0.000 0.896 164 L HN 0.134 nan 8.230 nan 0.000 0.432 165 S N -0.149 115.548 115.700 -0.006 0.000 2.368 165 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 165 S C 2.133 176.737 174.600 0.007 0.000 1.030 165 S CA 1.314 59.512 58.200 -0.003 0.000 0.999 165 S CB -0.117 63.083 63.200 -0.000 0.000 0.844 165 S HN 0.441 nan 8.310 nan 0.000 0.459 166 A N 0.921 123.753 122.820 0.019 0.000 1.972 166 A HA 0.074 4.394 4.320 -0.000 0.000 0.219 166 A C 2.043 179.637 177.584 0.016 0.000 1.169 166 A CA 1.264 53.314 52.037 0.021 0.000 0.635 166 A CB -0.599 18.421 19.000 0.033 0.000 0.810 166 A HN 0.595 nan 8.150 nan 0.000 0.446 167 L N -1.456 119.775 121.223 0.013 0.000 2.558 167 L HA 0.182 4.522 4.340 -0.000 0.000 0.225 167 L C 1.677 178.552 176.870 0.007 0.000 1.128 167 L CA 0.520 55.367 54.840 0.011 0.000 0.868 167 L CB -0.139 41.925 42.059 0.010 0.000 1.006 167 L HN 0.580 nan 8.230 nan 0.000 0.454 168 G N 0.851 109.652 108.800 0.002 0.000 2.143 168 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.249 168 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.249 168 G C 0.194 175.082 174.900 -0.019 0.000 0.981 168 G CA -0.187 44.912 45.100 -0.001 0.000 0.665 168 G HN 0.289 nan 8.290 nan 0.000 0.528 169 I N 1.218 121.768 120.570 -0.034 0.000 2.342 169 I HA 0.283 4.453 4.170 -0.000 0.000 0.291 169 I C 0.983 177.054 176.117 -0.077 0.000 1.010 169 I CA -0.379 60.879 61.300 -0.070 0.000 1.308 169 I CB 1.251 39.204 38.000 -0.078 0.000 1.400 169 I HN 0.264 nan 8.210 nan 0.000 0.488 170 N N 2.262 120.904 118.700 -0.097 0.000 2.171 170 N HA 0.083 4.823 4.740 -0.000 0.000 0.212 170 N C -0.330 175.116 175.510 -0.106 0.000 1.184 170 N CA -0.216 52.785 53.050 -0.080 0.000 0.888 170 N CB 0.820 39.274 38.487 -0.055 0.000 1.038 170 N HN 0.373 nan 8.380 nan 0.000 0.517 171 T N 0.178 114.629 114.554 -0.173 0.000 2.928 171 T HA 0.270 4.620 4.350 -0.000 0.000 0.296 171 T C -2.022 172.481 174.700 -0.329 0.000 1.000 171 T CA -0.615 61.346 62.100 -0.232 0.000 0.989 171 T CB 2.161 70.853 68.868 -0.293 0.000 1.005 171 T HN 0.018 nan 8.240 nan 0.000 0.442 172 D N 1.421 121.681 120.400 -0.234 0.000 2.391 172 D HA 0.349 4.989 4.640 -0.000 0.000 0.245 172 D C -0.727 175.524 176.300 -0.080 0.000 1.069 172 D CA -0.899 52.978 54.000 -0.204 0.000 0.831 172 D CB 0.779 41.522 40.800 -0.096 0.000 1.204 172 D HN 0.467 nan 8.370 nan 0.000 0.503 173 F N 2.673 122.590 119.950 -0.055 0.000 2.652 173 F HA 0.240 4.767 4.527 -0.000 0.000 0.352 173 F C 0.856 176.621 175.800 -0.058 0.000 1.259 173 F CA -0.271 57.696 58.000 -0.054 0.000 1.249 173 F CB 0.319 39.288 39.000 -0.051 0.000 1.628 173 F HN 0.068 nan 8.300 nan 0.000 0.654 174 S N 2.830 118.600 115.700 0.116 0.000 2.543 174 S HA 0.428 4.898 4.470 -0.000 0.000 0.274 174 S C -3.019 171.599 174.600 0.030 0.000 1.149 174 S CA -1.204 57.018 58.200 0.037 0.000 0.866 174 S CB 2.044 65.253 63.200 0.015 0.000 1.111 174 S HN 0.063 nan 8.310 nan 0.000 0.457 175 P HA 0.355 nan 4.420 nan 0.000 0.290 175 P C -0.705 176.568 177.300 -0.046 0.000 1.275 175 P CA -0.489 62.621 63.100 0.017 0.000 0.841 175 P CB 0.937 32.717 31.700 0.134 0.000 1.042 176 V N 3.450 123.303 119.914 -0.102 0.000 2.493 176 V HA -0.025 4.095 4.120 -0.000 0.000 0.292 176 V C 1.542 177.572 176.094 -0.107 0.000 1.016 176 V CA 0.564 62.788 62.300 -0.126 0.000 1.097 176 V CB 0.509 32.264 31.823 -0.113 0.000 0.947 176 V HN 0.499 nan 8.190 nan 0.000 0.479 177 V N 0.659 120.491 119.914 -0.138 0.000 3.070 177 V HA 0.375 4.495 4.120 -0.000 0.000 0.345 177 V C 0.301 176.294 176.094 -0.168 0.000 1.403 177 V CA -0.629 61.563 62.300 -0.181 0.000 1.155 177 V CB 0.044 31.617 31.823 -0.417 0.000 1.140 177 V HN 0.689 nan 8.190 nan 0.000 0.505 178 D N 1.952 122.367 120.400 0.026 0.000 2.423 178 D HA 0.348 4.988 4.640 -0.000 0.000 0.238 178 D C -0.084 176.294 176.300 0.129 0.000 1.142 178 D CA 0.634 54.735 54.000 0.169 0.000 0.884 178 D CB 1.945 42.897 40.800 0.252 0.000 1.199 178 D HN 0.372 nan 8.370 nan 0.000 0.438 179 I N 2.009 122.675 120.570 0.160 0.000 2.328 179 I HA 0.062 4.232 4.170 -0.000 0.000 0.287 179 I C 0.509 176.714 176.117 0.146 0.000 1.012 179 I CA -0.550 60.836 61.300 0.143 0.000 1.195 179 I CB 0.799 38.881 38.000 0.137 0.000 1.350 179 I HN 0.092 nan 8.210 nan 0.000 0.464 180 N N 4.843 123.627 118.700 0.140 0.000 3.050 180 N HA 0.029 4.769 4.740 -0.000 0.000 0.289 180 N C 0.638 176.237 175.510 0.147 0.000 1.209 180 N CA -0.187 52.954 53.050 0.151 0.000 1.154 180 N CB 0.069 38.656 38.487 0.166 0.000 1.444 180 N HN 0.501 nan 8.380 nan 0.000 0.529 181 N N -0.200 118.572 118.700 0.121 0.000 2.280 181 N HA 0.002 4.742 4.740 -0.000 0.000 0.192 181 N C -0.525 175.021 175.510 0.060 0.000 1.109 181 N CA -0.069 53.036 53.050 0.091 0.000 0.855 181 N CB 0.071 38.601 38.487 0.071 0.000 0.974 181 N HN 0.157 nan 8.380 nan 0.000 0.482 182 N N 1.036 119.771 118.700 0.059 0.000 2.511 182 N HA 0.313 5.053 4.740 -0.000 0.000 0.249 182 N C -2.072 173.395 175.510 -0.072 0.000 0.971 182 N CA -2.069 50.984 53.050 0.005 0.000 0.938 182 N CB 1.805 40.315 38.487 0.039 0.000 1.131 182 N HN -0.140 nan 8.380 nan 0.000 0.505 183 P HA -0.014 nan 4.420 nan 0.000 0.225 183 P C 0.009 177.093 177.300 -0.360 0.000 1.148 183 P CA 0.961 63.649 63.100 -0.686 0.000 0.779 183 P CB 0.427 31.423 31.700 -1.174 0.000 0.780 184 D N -1.854 118.442 120.400 -0.174 0.000 2.340 184 D HA -0.025 4.615 4.640 -0.000 0.000 0.220 184 D C 0.552 176.849 176.300 -0.005 0.000 1.039 184 D CA 0.245 54.200 54.000 -0.077 0.000 0.866 184 D CB -0.852 39.911 40.800 -0.061 0.000 0.913 184 D HN 0.087 nan 8.370 nan 0.000 0.523 185 N N 2.212 120.926 118.700 0.023 0.000 2.414 185 N HA -0.038 4.702 4.740 -0.000 0.000 0.268 185 N C -1.674 173.880 175.510 0.073 0.000 1.286 185 N CA -0.733 52.358 53.050 0.069 0.000 0.896 185 N CB 1.370 39.915 38.487 0.097 0.000 1.093 185 N HN 0.023 nan 8.380 nan 0.000 0.480 186 P HA 0.016 nan 4.420 nan 0.000 0.257 186 P C 0.833 178.184 177.300 0.085 0.000 1.241 186 P CA 0.248 63.392 63.100 0.074 0.000 0.816 186 P CB 0.805 32.553 31.700 0.081 0.000 1.150 187 V N -1.264 118.687 119.914 0.062 0.000 3.572 187 V HA 0.104 4.224 4.120 -0.000 0.000 0.260 187 V C 1.665 177.754 176.094 -0.007 0.000 1.324 187 V CA 0.255 62.574 62.300 0.031 0.000 1.068 187 V CB 0.031 31.844 31.823 -0.017 0.000 0.837 187 V HN -0.233 nan 8.190 nan 0.000 0.450 188 I N 0.457 121.026 120.570 -0.002 0.000 3.700 188 I HA 0.493 4.663 4.170 -0.000 0.000 0.232 188 I C 2.112 178.277 176.117 0.080 0.000 1.033 188 I CA 1.691 63.010 61.300 0.032 0.000 1.525 188 I CB -1.587 36.443 38.000 0.049 0.000 1.411 188 I HN 0.355 nan 8.210 nan 0.000 0.458 189 G N 1.874 110.741 108.800 0.112 0.000 2.629 189 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.313 189 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.313 189 G C 1.060 176.030 174.900 0.116 0.000 1.217 189 G CA 2.000 47.189 45.100 0.149 0.000 0.994 189 G HN 0.701 nan 8.290 nan 0.000 0.549 190 V N -0.760 119.225 119.914 0.118 0.000 3.444 190 V HA 0.181 4.301 4.120 -0.000 0.000 0.271 190 V C 2.389 178.498 176.094 0.024 0.000 1.188 190 V CA 2.354 64.710 62.300 0.093 0.000 1.168 190 V CB -0.564 31.356 31.823 0.163 0.000 0.810 190 V HN 0.590 nan 8.190 nan 0.000 0.500 191 R N 1.055 121.570 120.500 0.024 0.000 2.280 191 R HA 0.118 4.458 4.340 -0.000 0.000 0.207 191 R C 1.359 177.564 176.300 -0.159 0.000 1.043 191 R CA 0.823 56.897 56.100 -0.043 0.000 1.006 191 R CB -0.099 30.215 30.300 0.024 0.000 0.885 191 R HN 0.557 nan 8.270 nan 0.000 0.467 192 S N -0.626 115.010 115.700 -0.106 0.000 2.585 192 S HA 0.159 4.629 4.470 -0.000 0.000 0.277 192 S C 0.746 175.240 174.600 -0.177 0.000 1.241 192 S CA -0.814 57.300 58.200 -0.145 0.000 1.041 192 S CB 0.591 63.801 63.200 0.018 0.000 0.987 192 S HN 0.076 nan 8.310 nan 0.000 0.512 193 F N 2.618 122.565 119.950 -0.004 0.000 2.186 193 F HA 0.196 4.723 4.527 0.000 0.000 0.299 193 F C 1.667 177.443 175.800 -0.039 0.000 1.090 193 F CA 0.845 58.823 58.000 -0.037 0.000 1.307 193 F CB -0.098 38.883 39.000 -0.032 0.000 1.019 193 F HN 0.542 nan 8.300 nan 0.000 0.489 194 S N -1.821 113.985 115.700 0.178 0.000 2.611 194 S HA 0.266 4.736 4.470 -0.000 0.000 0.270 194 S C 0.398 175.076 174.600 0.129 0.000 1.131 194 S CA -0.203 58.074 58.200 0.129 0.000 0.826 194 S CB 0.493 63.765 63.200 0.120 0.000 1.095 194 S HN 0.025 nan 8.310 nan 0.000 0.461 195 S N 1.598 117.371 115.700 0.122 0.000 2.593 195 S HA 0.174 4.644 4.470 -0.000 0.000 0.217 195 S C 0.452 175.104 174.600 0.087 0.000 0.966 195 S CA -0.166 58.104 58.200 0.116 0.000 0.914 195 S CB -0.473 62.802 63.200 0.126 0.000 0.776 195 S HN 0.615 nan 8.310 nan 0.000 0.523 196 N N 1.913 120.661 118.700 0.080 0.000 2.421 196 N HA 0.169 4.909 4.740 -0.000 0.000 0.285 196 N C 1.140 176.687 175.510 0.062 0.000 1.027 196 N CA -0.478 52.603 53.050 0.053 0.000 0.918 196 N CB 1.370 39.881 38.487 0.041 0.000 1.152 196 N HN 0.432 nan 8.380 nan 0.000 0.485 197 R N 2.776 123.297 120.500 0.035 0.000 2.115 197 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 197 R C 0.582 176.972 176.300 0.150 0.000 1.111 197 R CA 1.325 57.473 56.100 0.080 0.000 0.976 197 R CB -0.052 30.233 30.300 -0.024 0.000 0.870 197 R HN 0.480 nan 8.270 nan 0.000 0.445 198 E N 0.995 121.232 120.200 0.062 0.000 2.076 198 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 198 E C 1.772 178.426 176.600 0.091 0.000 0.979 198 E CA 0.811 57.291 56.400 0.133 0.000 0.807 198 E CB -0.132 29.594 29.700 0.043 0.000 0.761 198 E HN 0.174 nan 8.360 nan 0.000 0.454 199 L N 0.615 121.862 121.223 0.041 0.000 2.056 199 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 199 L C 1.969 178.814 176.870 -0.042 0.000 1.078 199 L CA 1.915 56.750 54.840 -0.008 0.000 0.749 199 L CB -0.887 41.174 42.059 0.004 0.000 0.901 199 L HN 0.108 nan 8.230 nan 0.000 0.433 200 T N -1.425 113.162 114.554 0.055 0.000 2.708 200 T HA -0.200 4.150 4.350 -0.000 0.000 0.266 200 T C 2.087 176.789 174.700 0.004 0.000 1.037 200 T CA 1.656 63.823 62.100 0.112 0.000 1.146 200 T CB -0.396 68.589 68.868 0.194 0.000 0.865 200 T HN 0.462 nan 8.240 nan 0.000 0.435 201 S N 0.632 116.362 115.700 0.051 0.000 2.368 201 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 201 S C 2.202 176.768 174.600 -0.056 0.000 1.030 201 S CA 1.439 59.636 58.200 -0.005 0.000 0.999 201 S CB -0.235 62.994 63.200 0.047 0.000 0.844 201 S HN 0.476 nan 8.310 nan 0.000 0.459 202 R N 0.315 120.792 120.500 -0.037 0.000 2.070 202 R HA 0.010 4.350 4.340 -0.000 0.000 0.233 202 R C 2.331 178.594 176.300 -0.061 0.000 1.137 202 R CA 1.715 57.816 56.100 0.001 0.000 0.945 202 R CB -0.466 29.822 30.300 -0.019 0.000 0.845 202 R HN 0.451 nan 8.270 nan 0.000 0.430 203 L N -0.053 120.948 121.223 -0.369 0.000 2.141 203 L HA -0.013 4.327 4.340 -0.000 0.000 0.209 203 L C 2.614 179.103 176.870 -0.634 0.000 1.094 203 L CA 1.134 55.564 54.840 -0.683 0.000 0.763 203 L CB -0.732 40.518 42.059 -1.349 0.000 0.908 203 L HN 0.483 nan 8.230 nan 0.000 0.437 204 G N 0.503 109.014 108.800 -0.481 0.000 2.446 204 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 204 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 204 G C 1.659 176.546 174.900 -0.023 0.000 1.168 204 G CA 0.780 45.867 45.100 -0.021 0.000 0.771 204 G HN 0.266 nan 8.290 nan 0.000 0.551 205 L N -1.162 120.029 121.223 -0.053 0.000 2.017 205 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 205 L C 2.711 179.529 176.870 -0.086 0.000 1.073 205 L CA 1.473 56.265 54.840 -0.079 0.000 0.745 205 L CB -0.203 41.787 42.059 -0.116 0.000 0.894 205 L HN 0.289 nan 8.230 nan 0.000 0.432 206 Y N -0.418 119.852 120.300 -0.051 0.000 2.242 206 Y HA -0.204 4.346 4.550 -0.000 0.000 0.291 206 Y C 2.645 178.575 175.900 0.050 0.000 1.137 206 Y CA 1.738 59.861 58.100 0.038 0.000 1.181 206 Y CB -0.774 37.691 38.460 0.008 0.000 0.989 206 Y HN 0.176 nan 8.280 nan 0.000 0.527 207 T N 0.386 115.004 114.554 0.107 0.000 2.708 207 T HA -0.284 4.066 4.350 -0.000 0.000 0.266 207 T C 2.038 176.732 174.700 -0.009 0.000 1.037 207 T CA 1.681 63.806 62.100 0.042 0.000 1.146 207 T CB -0.409 68.530 68.868 0.118 0.000 0.865 207 T HN 0.362 nan 8.240 nan 0.000 0.435 208 M N 0.642 120.245 119.600 0.005 0.000 2.080 208 M HA -0.156 4.324 4.480 -0.000 0.000 0.260 208 M C 1.984 178.266 176.300 -0.029 0.000 1.068 208 M CA 1.660 56.951 55.300 -0.015 0.000 1.109 208 M CB -0.097 32.494 32.600 -0.015 0.000 1.342 208 M HN -0.033 nan 8.290 nan 0.000 0.405 209 K N 0.118 120.510 120.400 -0.013 0.000 2.097 209 K HA -0.039 4.281 4.320 -0.000 0.000 0.205 209 K C 2.002 178.599 176.600 -0.004 0.000 1.050 209 K CA 1.508 57.816 56.287 0.034 0.000 0.938 209 K CB -0.968 31.572 32.500 0.066 0.000 0.718 209 K HN 0.581 nan 8.250 nan 0.000 0.442 210 G N 1.385 110.053 108.800 -0.219 0.000 2.402 210 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.216 210 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.216 210 G C 1.705 176.407 174.900 -0.330 0.000 1.162 210 G CA 0.391 45.084 45.100 -0.679 0.000 0.777 210 G HN 0.146 nan 8.290 nan 0.000 0.539 211 L N -0.199 120.911 121.223 -0.190 0.000 2.017 211 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 211 L C 3.153 179.973 176.870 -0.083 0.000 1.073 211 L CA 1.292 56.059 54.840 -0.122 0.000 0.745 211 L CB -0.412 41.599 42.059 -0.080 0.000 0.894 211 L HN 0.257 nan 8.230 nan 0.000 0.432 212 Q N -0.707 119.057 119.800 -0.059 0.000 2.167 212 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 212 Q C 2.210 178.198 176.000 -0.021 0.000 0.970 212 Q CA 0.877 56.663 55.803 -0.028 0.000 0.855 212 Q CB -0.091 28.640 28.738 -0.012 0.000 0.911 212 Q HN 0.192 nan 8.270 nan 0.000 0.438 213 R N 0.929 121.413 120.500 -0.026 0.000 2.159 213 R HA -0.118 4.222 4.340 -0.000 0.000 0.237 213 R C 1.206 177.497 176.300 -0.015 0.000 1.131 213 R CA 1.337 57.438 56.100 0.002 0.000 0.982 213 R CB 0.088 30.407 30.300 0.033 0.000 0.868 213 R HN 0.165 nan 8.270 nan 0.000 0.453 214 Q N 0.809 120.584 119.800 -0.042 0.000 2.222 214 Q HA 0.110 4.450 4.340 -0.000 0.000 0.206 214 Q C -0.543 175.443 176.000 -0.023 0.000 0.877 214 Q CA 0.204 55.988 55.803 -0.031 0.000 0.958 214 Q CB 0.457 29.166 28.738 -0.048 0.000 1.075 214 Q HN 0.317 nan 8.270 nan 0.000 0.483 215 D N 0.318 120.707 120.400 -0.018 0.000 2.870 215 D HA -0.174 4.466 4.640 -0.000 0.000 0.228 215 D C -0.336 175.952 176.300 -0.021 0.000 1.147 215 D CA 0.577 54.569 54.000 -0.013 0.000 0.757 215 D CB -0.865 39.931 40.800 -0.006 0.000 1.091 215 D HN 0.271 nan 8.370 nan 0.000 0.429 216 I N 0.591 121.142 120.570 -0.032 0.000 2.336 216 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 216 I C 1.162 177.260 176.117 -0.033 0.000 0.991 216 I CA -1.136 60.139 61.300 -0.042 0.000 1.227 216 I CB 1.056 39.022 38.000 -0.057 0.000 1.366 216 I HN -0.001 nan 8.210 nan 0.000 0.466 217 A N 5.154 127.956 122.820 -0.030 0.000 2.524 217 A HA 0.295 4.615 4.320 -0.000 0.000 0.250 217 A C 0.468 178.053 177.584 0.000 0.000 1.078 217 A CA 0.120 52.154 52.037 -0.006 0.000 0.761 217 A CB 0.118 19.119 19.000 0.001 0.000 1.012 217 A HN 0.722 nan 8.150 nan 0.000 0.500 218 S N 1.595 117.313 115.700 0.030 0.000 2.472 218 S HA 0.687 5.157 4.470 -0.000 0.000 0.303 218 S C -0.269 174.384 174.600 0.088 0.000 1.099 218 S CA 0.018 58.244 58.200 0.043 0.000 1.077 218 S CB 1.067 64.278 63.200 0.017 0.000 1.031 218 S HN 1.673 nan 8.310 nan 0.000 0.487 219 A N 5.369 128.266 122.820 0.128 0.000 2.303 219 A HA 0.661 4.981 4.320 -0.000 0.000 0.320 219 A C -0.392 177.218 177.584 0.044 0.000 1.192 219 A CA -0.761 51.348 52.037 0.120 0.000 0.821 219 A CB 0.429 19.569 19.000 0.233 0.000 1.188 219 A HN 0.886 nan 8.150 nan 0.000 0.492 220 L N 2.350 123.579 121.223 0.010 0.000 2.416 220 L HA 0.350 4.690 4.340 -0.000 0.000 0.272 220 L C 0.204 177.117 176.870 0.072 0.000 1.161 220 L CA 0.204 55.059 54.840 0.024 0.000 0.845 220 L CB 0.456 42.561 42.059 0.077 0.000 1.119 220 L HN 0.680 nan 8.230 nan 0.000 0.464 221 K N 2.022 122.423 120.400 0.002 0.000 2.469 221 K HA 0.591 4.911 4.320 -0.000 0.000 0.254 221 K C -1.475 175.165 176.600 0.066 0.000 0.939 221 K CA -1.077 55.106 56.287 -0.174 0.000 0.812 221 K CB 2.186 34.174 32.500 -0.852 0.000 1.301 221 K HN 0.440 nan 8.250 nan 0.000 0.433 222 H N 0.848 120.177 119.070 0.431 0.000 2.708 222 H HA 0.247 4.803 4.556 0.000 0.000 0.320 222 H C -1.315 174.149 175.328 0.226 0.000 0.991 222 H CA -0.563 55.653 56.048 0.280 0.000 1.243 222 H CB 0.646 30.535 29.762 0.212 0.000 1.446 222 H HN 0.423 nan 8.280 nan 0.000 0.502 223 F N 6.128 126.001 119.950 -0.129 0.000 2.443 223 F HA 0.259 4.786 4.527 -0.000 0.000 0.353 223 F C -1.753 173.814 175.800 -0.389 0.000 1.101 223 F CA -2.294 55.296 58.000 -0.683 0.000 1.226 223 F CB 1.228 39.733 39.000 -0.825 0.000 1.140 223 F HN 0.421 nan 8.300 nan 0.000 0.557 224 P HA 0.269 nan 4.420 nan 0.000 0.254 224 P C -0.691 176.168 177.300 -0.734 0.000 1.620 224 P CA 0.156 62.112 63.100 -1.906 0.000 1.050 224 P CB 0.264 30.833 31.700 -1.884 0.000 1.539 225 G N 0.688 109.404 108.800 -0.141 0.000 3.160 225 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.573 225 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.573 225 G C -0.396 174.759 174.900 0.425 0.000 1.286 225 G CA -0.620 44.679 45.100 0.332 0.000 1.151 225 G HN 0.207 nan 8.290 nan 0.000 0.555 226 H N 1.867 121.132 119.070 0.324 0.000 2.551 226 H HA 0.203 4.759 4.556 -0.000 0.000 0.271 226 H C 2.167 177.602 175.328 0.178 0.000 0.984 226 H CA 1.212 57.397 56.048 0.229 0.000 1.164 226 H CB 0.345 30.189 29.762 0.137 0.000 1.437 226 H HN 0.683 nan 8.280 nan 0.000 0.550 227 G N -0.207 108.798 108.800 0.342 0.000 2.484 227 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.218 227 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.218 227 G C 1.259 176.281 174.900 0.203 0.000 1.130 227 G CA 0.563 45.810 45.100 0.245 0.000 0.784 227 G HN 0.313 nan 8.290 nan 0.000 0.543 228 D N 0.409 120.933 120.400 0.207 0.000 2.328 228 D HA 0.072 4.712 4.640 -0.000 0.000 0.221 228 D C 1.330 177.697 176.300 0.111 0.000 1.072 228 D CA 0.066 54.165 54.000 0.164 0.000 0.850 228 D CB -0.061 40.872 40.800 0.222 0.000 0.922 228 D HN 0.264 nan 8.370 nan 0.000 0.516 229 T N -1.482 113.152 114.554 0.133 0.000 2.910 229 T HA 0.214 4.564 4.350 -0.000 0.000 0.293 229 T C 0.647 175.397 174.700 0.084 0.000 1.015 229 T CA -0.614 61.538 62.100 0.086 0.000 1.094 229 T CB 1.518 70.476 68.868 0.150 0.000 0.968 229 T HN 0.010 nan 8.240 nan 0.000 0.521 230 D N 0.468 120.894 120.400 0.043 0.000 2.395 230 D HA 0.187 4.827 4.640 -0.000 0.000 0.213 230 D C 0.028 176.363 176.300 0.058 0.000 1.110 230 D CA -0.318 53.705 54.000 0.038 0.000 0.835 230 D CB -0.063 40.740 40.800 0.005 0.000 0.965 230 D HN 0.377 nan 8.370 nan 0.000 0.505 231 V N 0.637 120.603 119.914 0.087 0.000 2.680 231 V HA 0.277 4.397 4.120 -0.000 0.000 0.309 231 V C -0.716 175.494 176.094 0.193 0.000 1.052 231 V CA -1.031 61.338 62.300 0.116 0.000 0.908 231 V CB 2.149 34.023 31.823 0.085 0.000 1.001 231 V HN -0.008 nan 8.190 nan 0.000 0.431 232 D N 2.124 122.658 120.400 0.223 0.000 2.280 232 D HA 0.167 4.807 4.640 -0.000 0.000 0.243 232 D C 1.236 177.698 176.300 0.270 0.000 1.129 232 D CA 0.053 54.221 54.000 0.278 0.000 0.848 232 D CB 1.814 42.838 40.800 0.373 0.000 1.107 232 D HN 0.583 nan 8.370 nan 0.000 0.471 233 S N 2.905 118.747 115.700 0.237 0.000 2.507 233 S HA -0.173 4.297 4.470 -0.000 0.000 0.235 233 S C 1.297 175.899 174.600 0.004 0.000 0.988 233 S CA 0.676 58.969 58.200 0.155 0.000 0.944 233 S CB -0.490 62.849 63.200 0.231 0.000 0.762 233 S HN 0.596 nan 8.310 nan 0.000 0.526 234 H N -0.381 118.669 119.070 -0.033 0.000 2.457 234 H HA 0.100 4.656 4.556 -0.000 0.000 0.294 234 H C 0.888 175.926 175.328 -0.485 0.000 1.064 234 H CA 1.699 57.565 56.048 -0.303 0.000 1.330 234 H CB -0.142 29.293 29.762 -0.546 0.000 1.395 234 H HN 0.545 nan 8.280 nan 0.000 0.541 235 Y N -1.387 119.021 120.300 0.180 0.000 2.430 235 Y HA 0.420 4.970 4.550 -0.000 0.000 0.254 235 Y C 1.252 177.206 175.900 0.091 0.000 1.088 235 Y CA 0.272 58.441 58.100 0.114 0.000 1.267 235 Y CB 1.286 39.805 38.460 0.099 0.000 1.204 235 Y HN 0.146 nan 8.280 nan 0.000 0.515 236 G N -0.412 108.523 108.800 0.225 0.000 2.559 236 G HA2 0.431 4.391 3.960 -0.000 0.000 0.291 236 G HA3 0.431 4.391 3.960 -0.000 0.000 0.291 236 G C -2.300 172.701 174.900 0.168 0.000 1.424 236 G CA -0.923 44.289 45.100 0.188 0.000 0.786 236 G HN -0.134 nan 8.290 nan 0.000 0.485 237 L N 1.721 123.046 121.223 0.169 0.000 2.283 237 L HA 0.602 4.942 4.340 -0.000 0.000 0.287 237 L C -2.072 174.811 176.870 0.021 0.000 1.073 237 L CA -1.983 52.912 54.840 0.093 0.000 0.822 237 L CB 0.678 42.753 42.059 0.028 0.000 1.186 237 L HN 0.220 nan 8.230 nan 0.000 0.436 238 P HA 0.415 nan 4.420 nan 0.000 0.278 238 P C -1.593 175.604 177.300 -0.173 0.000 1.258 238 P CA -0.608 62.446 63.100 -0.076 0.000 0.811 238 P CB 1.158 32.801 31.700 -0.095 0.000 1.063 239 L N 1.638 122.744 121.223 -0.195 0.000 2.385 239 L HA 0.554 4.894 4.340 -0.000 0.000 0.273 239 L C -1.458 175.215 176.870 -0.328 0.000 0.990 239 L CA -0.583 54.099 54.840 -0.263 0.000 0.821 239 L CB 1.991 43.945 42.059 -0.176 0.000 1.279 239 L HN 0.036 nan 8.230 nan 0.000 0.412 240 V N 4.484 124.099 119.914 -0.498 0.000 2.378 240 V HA 0.394 4.514 4.120 -0.000 0.000 0.288 240 V C 0.575 176.467 176.094 -0.336 0.000 1.016 240 V CA -0.161 61.883 62.300 -0.428 0.000 0.840 240 V CB 1.267 32.783 31.823 -0.510 0.000 0.994 240 V HN 0.925 nan 8.190 nan 0.000 0.431 241 S N 2.326 117.825 115.700 -0.335 0.000 2.556 241 S HA 0.170 4.640 4.470 -0.000 0.000 0.216 241 S C 0.701 175.172 174.600 -0.215 0.000 0.970 241 S CA -0.237 57.811 58.200 -0.255 0.000 0.912 241 S CB -0.221 62.836 63.200 -0.239 0.000 0.790 241 S HN 0.780 nan 8.310 nan 0.000 0.504 242 H N 1.512 120.544 119.070 -0.064 0.000 2.852 242 H HA 0.189 4.745 4.556 0.000 0.000 0.362 242 H C 1.128 176.399 175.328 -0.095 0.000 1.122 242 H CA 0.552 56.566 56.048 -0.057 0.000 1.419 242 H CB 0.051 29.795 29.762 -0.029 0.000 1.401 242 H HN 0.295 nan 8.280 nan 0.000 0.609 243 G N 0.599 109.432 108.800 0.054 0.000 2.616 243 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.268 243 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.268 243 G C 0.808 175.643 174.900 -0.108 0.000 1.213 243 G CA -0.452 44.623 45.100 -0.043 0.000 0.926 243 G HN 0.654 nan 8.290 nan 0.000 0.523 244 Q N -0.871 118.838 119.800 -0.152 0.000 2.170 244 Q HA -0.129 4.211 4.340 -0.000 0.000 0.203 244 Q C 2.257 178.229 176.000 -0.046 0.000 0.976 244 Q CA 1.430 57.125 55.803 -0.181 0.000 0.858 244 Q CB 0.009 28.698 28.738 -0.082 0.000 0.907 244 Q HN 0.850 nan 8.270 nan 0.000 0.433 245 E N 0.976 121.165 120.200 -0.018 0.000 2.038 245 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 245 E C 2.053 178.653 176.600 0.000 0.000 1.000 245 E CA 1.319 57.723 56.400 0.006 0.000 0.803 245 E CB 0.050 29.752 29.700 0.003 0.000 0.750 245 E HN 0.050 nan 8.360 nan 0.000 0.448 246 R N 0.814 121.300 120.500 -0.024 0.000 2.073 246 R HA -0.110 4.230 4.340 -0.000 0.000 0.234 246 R C 2.285 178.572 176.300 -0.021 0.000 1.134 246 R CA 1.597 57.667 56.100 -0.051 0.000 0.952 246 R CB -0.802 29.430 30.300 -0.113 0.000 0.850 246 R HN 0.293 nan 8.270 nan 0.000 0.433 247 L N -0.107 121.109 121.223 -0.013 0.000 2.093 247 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 247 L C 2.647 179.599 176.870 0.137 0.000 1.085 247 L CA 1.599 56.463 54.840 0.040 0.000 0.755 247 L CB -0.351 41.642 42.059 -0.111 0.000 0.904 247 L HN 0.209 nan 8.230 nan 0.000 0.435 248 R N -0.585 120.003 120.500 0.146 0.000 2.148 248 R HA -0.082 4.258 4.340 -0.000 0.000 0.223 248 R C 2.035 178.426 176.300 0.152 0.000 1.088 248 R CA 0.633 56.844 56.100 0.185 0.000 0.985 248 R CB 0.005 30.410 30.300 0.174 0.000 0.880 248 R HN 0.269 nan 8.270 nan 0.000 0.451 249 E N -0.076 120.182 120.200 0.098 0.000 2.250 249 E HA -0.016 4.334 4.350 -0.000 0.000 0.192 249 E C 1.645 178.278 176.600 0.056 0.000 0.986 249 E CA 0.740 57.181 56.400 0.069 0.000 0.849 249 E CB 0.563 30.272 29.700 0.015 0.000 0.797 249 E HN 0.105 nan 8.360 nan 0.000 0.482 250 V N 0.094 120.051 119.914 0.070 0.000 3.204 250 V HA -0.027 4.093 4.120 -0.000 0.000 0.218 250 V C 1.855 178.047 176.094 0.163 0.000 1.159 250 V CA 0.449 62.790 62.300 0.069 0.000 1.282 250 V CB -0.417 31.410 31.823 0.008 0.000 1.225 250 V HN -0.027 nan 8.190 nan 0.000 0.509 251 E N 0.893 121.189 120.200 0.160 0.000 2.070 251 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 251 E C 2.005 178.797 176.600 0.319 0.000 1.004 251 E CA 1.603 58.137 56.400 0.223 0.000 0.805 251 E CB -0.353 29.458 29.700 0.185 0.000 0.744 251 E HN 0.448 nan 8.360 nan 0.000 0.451 252 L N -0.538 120.846 121.223 0.269 0.000 2.395 252 L HA -0.086 4.254 4.340 -0.000 0.000 0.218 252 L C 2.054 179.147 176.870 0.373 0.000 1.130 252 L CA 0.536 55.569 54.840 0.323 0.000 0.826 252 L CB -0.359 41.825 42.059 0.207 0.000 0.941 252 L HN 0.240 nan 8.230 nan 0.000 0.451 253 Y N 2.441 122.847 120.300 0.178 0.000 2.097 253 Y HA -0.189 4.361 4.550 -0.000 0.000 0.282 253 Y C -0.316 175.639 175.900 0.091 0.000 1.152 253 Y CA 1.966 60.137 58.100 0.117 0.000 1.136 253 Y CB -1.165 37.340 38.460 0.076 0.000 0.975 253 Y HN 0.120 nan 8.280 nan 0.000 0.498 254 P HA -0.151 nan 4.420 nan 0.000 0.221 254 P C 1.287 178.471 177.300 -0.194 0.000 1.150 254 P CA 1.612 64.624 63.100 -0.146 0.000 0.800 254 P CB -0.383 31.239 31.700 -0.131 0.000 0.787 255 F N 0.373 120.334 119.950 0.018 0.000 2.113 255 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 255 F C 2.907 178.674 175.800 -0.054 0.000 1.103 255 F CA 1.337 59.343 58.000 0.011 0.000 1.248 255 F CB -1.145 37.949 39.000 0.158 0.000 0.999 255 F HN -0.076 nan 8.300 nan 0.000 0.475 256 Q N 0.914 120.798 119.800 0.141 0.000 2.084 256 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 256 Q C 2.039 178.000 176.000 -0.066 0.000 0.978 256 Q CA 1.614 57.438 55.803 0.034 0.000 0.844 256 Q CB -0.120 28.635 28.738 0.029 0.000 0.898 256 Q HN 0.030 nan 8.270 nan 0.000 0.426 257 K N -0.183 120.101 120.400 -0.193 0.000 2.057 257 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 257 K C 1.949 178.477 176.600 -0.120 0.000 1.049 257 K CA 1.337 57.497 56.287 -0.212 0.000 0.931 257 K CB -0.606 31.681 32.500 -0.355 0.000 0.714 257 K HN 0.313 nan 8.250 nan 0.000 0.440 258 A N 1.034 123.792 122.820 -0.102 0.000 1.970 258 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 258 A C 2.272 179.842 177.584 -0.022 0.000 1.170 258 A CA 0.711 52.707 52.037 -0.069 0.000 0.645 258 A CB -0.427 18.527 19.000 -0.076 0.000 0.816 258 A HN 0.159 nan 8.150 nan 0.000 0.447 259 I N 0.114 120.682 120.570 -0.003 0.000 2.179 259 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 259 I C 1.709 177.863 176.117 0.063 0.000 1.088 259 I CA 1.526 62.862 61.300 0.060 0.000 1.357 259 I CB -0.349 37.683 38.000 0.054 0.000 1.051 259 I HN 0.225 nan 8.210 nan 0.000 0.409 260 D N 0.942 121.352 120.400 0.016 0.000 2.178 260 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 260 D C 1.852 178.147 176.300 -0.009 0.000 0.980 260 D CA 1.313 55.315 54.000 0.003 0.000 0.842 260 D CB -0.074 40.715 40.800 -0.018 0.000 0.948 260 D HN 0.350 nan 8.370 nan 0.000 0.472 261 A N -0.585 122.221 122.820 -0.023 0.000 2.337 261 A HA 0.492 4.812 4.320 -0.000 0.000 0.227 261 A C 1.430 179.002 177.584 -0.021 0.000 1.259 261 A CA 0.680 52.693 52.037 -0.039 0.000 0.870 261 A CB -0.115 18.840 19.000 -0.075 0.000 0.927 261 A HN 0.199 nan 8.150 nan 0.000 0.497 262 G N -1.531 107.277 108.800 0.012 0.000 2.141 262 G HA2 0.181 4.141 3.960 -0.000 0.000 0.195 262 G HA3 0.181 4.141 3.960 -0.000 0.000 0.195 262 G C 0.345 175.281 174.900 0.059 0.000 1.012 262 G CA 0.005 45.123 45.100 0.029 0.000 0.696 262 G HN 1.564 nan 8.290 nan 0.000 0.508 263 A N -0.063 122.810 122.820 0.087 0.000 2.565 263 A HA 0.452 4.771 4.320 -0.000 0.000 0.237 263 A C 1.320 179.034 177.584 0.218 0.000 1.053 263 A CA 1.108 53.213 52.037 0.113 0.000 0.755 263 A CB 0.320 19.358 19.000 0.065 0.000 0.980 263 A HN 0.267 nan 8.150 nan 0.000 0.506 264 D N 1.074 121.572 120.400 0.163 0.000 2.183 264 D HA 0.084 4.724 4.640 -0.000 0.000 0.205 264 D C 0.464 176.935 176.300 0.285 0.000 0.962 264 D CA 1.425 55.524 54.000 0.166 0.000 0.849 264 D CB 0.057 40.914 40.800 0.096 0.000 0.978 264 D HN 0.663 nan 8.370 nan 0.000 0.488 265 M N -0.178 119.590 119.600 0.281 0.000 2.520 265 M HA 0.392 4.872 4.480 -0.000 0.000 0.283 265 M C -1.421 174.901 176.300 0.036 0.000 1.237 265 M CA -0.764 54.703 55.300 0.279 0.000 0.885 265 M CB 3.802 36.517 32.600 0.192 0.000 1.727 265 M HN -0.446 nan 8.290 nan 0.000 0.468 266 V N 2.119 121.973 119.914 -0.100 0.000 2.577 266 V HA 0.493 4.613 4.120 -0.000 0.000 0.303 266 V C -0.754 175.245 176.094 -0.158 0.000 1.042 266 V CA -0.557 61.575 62.300 -0.281 0.000 0.872 266 V CB 2.094 33.464 31.823 -0.756 0.000 0.998 266 V HN 0.938 nan 8.190 nan 0.000 0.423 267 M N 4.483 124.006 119.600 -0.128 0.000 2.233 267 M HA 0.490 4.970 4.480 -0.000 0.000 0.355 267 M C 0.607 176.880 176.300 -0.046 0.000 1.191 267 M CA -0.152 55.059 55.300 -0.149 0.000 1.101 267 M CB 1.658 34.097 32.600 -0.269 0.000 1.592 267 M HN 0.915 nan 8.290 nan 0.000 0.461 268 T N 2.095 116.627 114.554 -0.036 0.000 2.828 268 T HA 0.633 4.983 4.350 -0.000 0.000 0.290 268 T C -0.166 174.558 174.700 0.040 0.000 1.019 268 T CA -0.757 61.359 62.100 0.027 0.000 1.031 268 T CB 0.903 69.783 68.868 0.020 0.000 1.001 268 T HN 0.778 nan 8.240 nan 0.000 0.531 269 A N 1.697 124.562 122.820 0.074 0.000 2.304 269 A HA 0.512 4.832 4.320 -0.000 0.000 0.323 269 A C 0.011 177.631 177.584 0.060 0.000 1.195 269 A CA -0.880 51.196 52.037 0.064 0.000 0.826 269 A CB 0.317 19.409 19.000 0.153 0.000 1.184 269 A HN 0.954 nan 8.150 nan 0.000 0.496 270 H N 2.188 121.282 119.070 0.040 0.000 2.970 270 H HA 0.368 4.924 4.556 0.000 0.000 0.226 270 H C -0.653 174.654 175.328 -0.036 0.000 1.909 270 H CA 0.165 56.220 56.048 0.012 0.000 1.388 270 H CB -0.660 29.106 29.762 0.007 0.000 1.773 270 H HN 0.244 nan 8.280 nan 0.000 0.559 271 V N 1.878 121.840 119.914 0.079 0.000 2.808 271 V HA 0.144 4.264 4.120 -0.000 0.000 0.308 271 V C -0.088 175.956 176.094 -0.085 0.000 1.099 271 V CA -1.077 61.153 62.300 -0.117 0.000 0.920 271 V CB 2.917 34.543 31.823 -0.328 0.000 1.014 271 V HN 0.453 nan 8.190 nan 0.000 0.425 272 Q N 3.147 122.811 119.800 -0.228 0.000 2.286 272 Q HA 0.524 4.864 4.340 -0.000 0.000 0.257 272 Q C -1.483 174.264 176.000 -0.421 0.000 0.941 272 Q CA 0.204 55.915 55.803 -0.153 0.000 0.912 272 Q CB 1.022 29.687 28.738 -0.121 0.000 1.192 272 Q HN 0.615 nan 8.270 nan 0.000 0.410 273 F N 3.425 123.385 119.950 0.017 0.000 2.686 273 F HA 0.260 4.787 4.527 0.000 0.000 0.365 273 F C -1.709 174.092 175.800 0.001 0.000 1.196 273 F CA -1.944 56.060 58.000 0.007 0.000 1.198 273 F CB 1.361 40.429 39.000 0.113 0.000 1.454 273 F HN 0.479 nan 8.300 nan 0.000 0.539 274 P HA -0.206 nan 4.420 nan 0.000 0.219 274 P C 1.507 178.826 177.300 0.032 0.000 1.146 274 P CA 1.334 64.459 63.100 0.041 0.000 0.808 274 P CB 0.298 31.988 31.700 -0.015 0.000 0.779 275 A N -1.015 121.788 122.820 -0.030 0.000 1.972 275 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 275 A C 1.871 179.412 177.584 -0.072 0.000 1.169 275 A CA 1.290 53.260 52.037 -0.111 0.000 0.635 275 A CB -1.395 17.459 19.000 -0.243 0.000 0.810 275 A HN 0.063 nan 8.150 nan 0.000 0.446 276 F N -0.716 119.284 119.950 0.084 0.000 2.317 276 F HA 0.217 4.744 4.527 -0.000 0.000 0.293 276 F C 0.384 176.214 175.800 0.050 0.000 1.085 276 F CA 0.241 58.269 58.000 0.046 0.000 1.390 276 F CB 0.283 39.283 39.000 0.001 0.000 1.077 276 F HN 0.116 nan 8.300 nan 0.000 0.517 277 D N -0.375 120.179 120.400 0.256 0.000 2.613 277 D HA 0.121 4.761 4.640 -0.000 0.000 0.230 277 D C -0.766 175.605 176.300 0.118 0.000 1.365 277 D CA -0.213 53.886 54.000 0.165 0.000 0.976 277 D CB 1.038 41.937 40.800 0.166 0.000 1.415 277 D HN 0.107 nan 8.370 nan 0.000 0.589 278 D N 1.151 121.594 120.400 0.071 0.000 2.340 278 D HA 0.034 4.674 4.640 -0.000 0.000 0.217 278 D C 0.136 176.442 176.300 0.010 0.000 1.081 278 D CA -0.095 53.927 54.000 0.036 0.000 0.842 278 D CB -0.198 40.613 40.800 0.018 0.000 0.934 278 D HN 0.109 nan 8.370 nan 0.000 0.511 279 T N 1.206 115.767 114.554 0.012 0.000 2.934 279 T HA 0.288 4.638 4.350 -0.000 0.000 0.306 279 T C 0.557 175.207 174.700 -0.084 0.000 1.042 279 T CA 0.349 62.413 62.100 -0.060 0.000 1.145 279 T CB 0.685 69.528 68.868 -0.042 0.000 0.982 279 T HN 0.414 nan 8.240 nan 0.000 0.544 280 T N 0.783 115.217 114.554 -0.201 0.000 2.932 280 T HA 0.719 5.069 4.350 -0.000 0.000 0.289 280 T C -1.181 173.288 174.700 -0.384 0.000 1.039 280 T CA -0.856 61.155 62.100 -0.148 0.000 1.024 280 T CB 1.081 69.904 68.868 -0.075 0.000 1.090 280 T HN 0.467 nan 8.240 nan 0.000 0.496 281 Y N -0.403 119.939 120.300 0.070 0.000 2.576 281 Y HA 0.536 5.086 4.550 -0.000 0.000 0.346 281 Y C 0.123 176.015 175.900 -0.013 0.000 1.018 281 Y CA -1.470 56.675 58.100 0.075 0.000 1.050 281 Y CB 1.758 40.353 38.460 0.225 0.000 1.280 281 Y HN 0.401 nan 8.280 nan 0.000 0.474 282 K N 1.369 121.850 120.400 0.135 0.000 2.316 282 K HA 0.180 4.500 4.320 -0.000 0.000 0.289 282 K C 0.013 176.584 176.600 -0.049 0.000 1.070 282 K CA -0.179 56.126 56.287 0.031 0.000 0.928 282 K CB 1.371 33.890 32.500 0.032 0.000 1.039 282 K HN 0.640 nan 8.250 nan 0.000 0.480 283 S N 2.221 117.876 115.700 -0.075 0.000 2.549 283 S HA 0.013 4.483 4.470 -0.000 0.000 0.279 283 S C 1.199 175.746 174.600 -0.089 0.000 1.321 283 S CA -0.346 57.788 58.200 -0.111 0.000 1.054 283 S CB 0.519 63.767 63.200 0.079 0.000 0.899 283 S HN 0.633 nan 8.310 nan 0.000 0.497 284 K N 3.965 124.277 120.400 -0.147 0.000 2.439 284 K HA -0.030 4.290 4.320 -0.000 0.000 0.197 284 K C 1.634 178.182 176.600 -0.086 0.000 1.041 284 K CA 0.674 56.901 56.287 -0.100 0.000 0.970 284 K CB -0.216 32.223 32.500 -0.102 0.000 0.773 284 K HN 0.545 nan 8.250 nan 0.000 0.479 285 L N 2.271 123.433 121.223 -0.102 0.000 2.023 285 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 285 L C 0.768 177.610 176.870 -0.047 0.000 1.073 285 L CA 2.215 56.992 54.840 -0.105 0.000 0.745 285 L CB -0.013 41.936 42.059 -0.182 0.000 0.900 285 L HN 0.526 nan 8.230 nan 0.000 0.435 286 D N -3.344 117.047 120.400 -0.016 0.000 2.516 286 D HA 0.232 4.872 4.640 -0.000 0.000 0.241 286 D C 1.311 177.608 176.300 -0.005 0.000 1.246 286 D CA 0.506 54.502 54.000 -0.007 0.000 0.808 286 D CB -0.043 40.760 40.800 0.006 0.000 1.147 286 D HN 0.327 nan 8.370 nan 0.000 0.527 287 G N 0.718 109.513 108.800 -0.008 0.000 2.162 287 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 287 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 287 G C 0.459 175.356 174.900 -0.006 0.000 0.976 287 G CA 0.554 45.649 45.100 -0.009 0.000 0.655 287 G HN 0.972 nan 8.290 nan 0.000 0.533 288 S N 0.041 115.739 115.700 -0.002 0.000 2.603 288 S HA 0.498 4.968 4.470 -0.000 0.000 0.268 288 S C -0.124 174.468 174.600 -0.013 0.000 1.317 288 S CA -0.354 57.842 58.200 -0.006 0.000 1.012 288 S CB 1.494 64.692 63.200 -0.003 0.000 0.926 288 S HN 0.183 nan 8.310 nan 0.000 0.539 289 D N 1.825 122.216 120.400 -0.015 0.000 2.371 289 D HA 0.311 4.951 4.640 -0.000 0.000 0.256 289 D C 0.177 176.461 176.300 -0.026 0.000 1.193 289 D CA 0.133 54.123 54.000 -0.017 0.000 0.881 289 D CB 0.418 41.205 40.800 -0.022 0.000 1.143 289 D HN 0.662 nan 8.370 nan 0.000 0.473 290 I N -0.971 119.585 120.570 -0.022 0.000 2.530 290 I HA 0.399 4.569 4.170 -0.000 0.000 0.297 290 I C -0.108 176.027 176.117 0.031 0.000 1.011 290 I CA -1.159 60.114 61.300 -0.045 0.000 1.107 290 I CB 1.401 39.301 38.000 -0.168 0.000 1.285 290 I HN -0.003 nan 8.210 nan 0.000 0.436 291 L N 5.047 126.278 121.223 0.012 0.000 2.483 291 L HA 0.118 4.458 4.340 -0.000 0.000 0.276 291 L C 0.532 177.487 176.870 0.142 0.000 1.213 291 L CA -0.060 54.814 54.840 0.057 0.000 0.843 291 L CB 0.943 43.012 42.059 0.017 0.000 1.107 291 L HN 0.530 nan 8.230 nan 0.000 0.487 292 V N 5.697 125.741 119.914 0.218 0.000 2.585 292 V HA 0.115 4.235 4.120 -0.000 0.000 0.296 292 V C -1.853 174.344 176.094 0.171 0.000 1.035 292 V CA -1.287 61.187 62.300 0.290 0.000 1.084 292 V CB 0.973 33.006 31.823 0.350 0.000 0.953 292 V HN 0.581 nan 8.190 nan 0.000 0.483 293 P HA 0.189 nan 4.420 nan 0.000 0.271 293 P C 0.306 177.679 177.300 0.122 0.000 1.218 293 P CA 0.229 63.393 63.100 0.107 0.000 0.780 293 P CB 0.812 32.554 31.700 0.070 0.000 0.901 294 A N 2.463 125.400 122.820 0.195 0.000 1.940 294 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 294 A C 1.977 179.620 177.584 0.098 0.000 1.176 294 A CA 2.248 54.387 52.037 0.170 0.000 0.631 294 A CB -1.982 17.127 19.000 0.180 0.000 0.814 294 A HN 0.548 nan 8.150 nan 0.000 0.446 295 T N 0.382 115.006 114.554 0.117 0.000 2.760 295 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 295 T C 1.263 175.961 174.700 -0.004 0.000 1.047 295 T CA 1.576 63.730 62.100 0.089 0.000 1.139 295 T CB -0.335 68.664 68.868 0.219 0.000 0.855 295 T HN 0.432 nan 8.240 nan 0.000 0.471 296 L N 0.514 121.700 121.223 -0.061 0.000 2.769 296 L HA 0.319 4.659 4.340 -0.000 0.000 0.240 296 L C 0.834 177.678 176.870 -0.044 0.000 1.163 296 L CA -0.246 54.508 54.840 -0.144 0.000 0.962 296 L CB 0.286 42.111 42.059 -0.390 0.000 1.258 296 L HN 0.031 nan 8.230 nan 0.000 0.513 297 S N 0.546 116.258 115.700 0.020 0.000 2.410 297 S HA 0.162 4.632 4.470 -0.000 0.000 0.304 297 S C 1.034 175.657 174.600 0.038 0.000 1.095 297 S CA -0.576 57.662 58.200 0.063 0.000 1.089 297 S CB 1.299 64.554 63.200 0.091 0.000 0.968 297 S HN 0.269 nan 8.310 nan 0.000 0.480 298 K N 4.399 124.825 120.400 0.043 0.000 2.097 298 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 298 K C 1.683 178.293 176.600 0.017 0.000 1.049 298 K CA 1.339 57.641 56.287 0.025 0.000 0.933 298 K CB -0.035 32.484 32.500 0.032 0.000 0.717 298 K HN 0.615 nan 8.250 nan 0.000 0.442 299 K N 0.005 120.424 120.400 0.031 0.000 2.057 299 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 299 K C 1.998 178.579 176.600 -0.031 0.000 1.049 299 K CA 1.461 57.759 56.287 0.018 0.000 0.931 299 K CB -0.014 32.519 32.500 0.055 0.000 0.714 299 K HN -0.000 nan 8.250 nan 0.000 0.440 300 V N 1.121 121.016 119.914 -0.033 0.000 2.407 300 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 300 V C 2.200 178.276 176.094 -0.029 0.000 1.041 300 V CA 1.356 63.593 62.300 -0.106 0.000 1.040 300 V CB -0.215 31.551 31.823 -0.096 0.000 0.671 300 V HN 0.305 nan 8.190 nan 0.000 0.455 301 M N -0.573 119.020 119.600 -0.011 0.000 2.357 301 M HA -0.001 4.479 4.480 -0.000 0.000 0.266 301 M C 2.109 178.380 176.300 -0.047 0.000 1.095 301 M CA 1.477 56.760 55.300 -0.029 0.000 1.156 301 M CB -1.289 31.301 32.600 -0.016 0.000 1.365 301 M HN 0.378 nan 8.290 nan 0.000 0.447 302 T N -0.095 114.441 114.554 -0.030 0.000 2.925 302 T HA 0.119 4.469 4.350 -0.000 0.000 0.245 302 T C 1.923 176.604 174.700 -0.031 0.000 1.025 302 T CA 1.142 63.225 62.100 -0.028 0.000 1.149 302 T CB -0.676 68.182 68.868 -0.016 0.000 0.866 302 T HN 0.462 nan 8.240 nan 0.000 0.437 303 G N 1.616 110.400 108.800 -0.027 0.000 2.459 303 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 303 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 303 G C 1.511 176.384 174.900 -0.045 0.000 1.183 303 G CA 0.949 46.033 45.100 -0.026 0.000 0.776 303 G HN 0.347 nan 8.290 nan 0.000 0.552 304 L N -0.529 120.645 121.223 -0.081 0.000 2.062 304 L HA 0.317 4.657 4.340 -0.000 0.000 0.202 304 L C 2.498 179.325 176.870 -0.072 0.000 1.079 304 L CA 1.249 56.024 54.840 -0.108 0.000 0.755 304 L CB -0.717 41.180 42.059 -0.270 0.000 0.913 304 L HN 0.177 nan 8.230 nan 0.000 0.445 305 L N -0.297 120.860 121.223 -0.110 0.000 2.007 305 L HA -0.093 4.247 4.340 -0.000 0.000 0.205 305 L C 2.736 179.544 176.870 -0.104 0.000 1.073 305 L CA 1.924 56.601 54.840 -0.271 0.000 0.744 305 L CB -0.847 40.850 42.059 -0.603 0.000 0.898 305 L HN 0.327 nan 8.230 nan 0.000 0.435 306 R N -0.707 119.757 120.500 -0.060 0.000 2.070 306 R HA -0.117 4.223 4.340 -0.000 0.000 0.233 306 R C 2.243 178.527 176.300 -0.026 0.000 1.137 306 R CA 2.046 58.131 56.100 -0.025 0.000 0.945 306 R CB -0.300 29.978 30.300 -0.038 0.000 0.845 306 R HN 0.607 nan 8.270 nan 0.000 0.430 307 Q N -0.857 118.926 119.800 -0.029 0.000 2.123 307 Q HA -0.012 4.328 4.340 -0.000 0.000 0.193 307 Q C 2.066 178.059 176.000 -0.011 0.000 0.981 307 Q CA 1.095 56.886 55.803 -0.020 0.000 0.833 307 Q CB -0.198 28.529 28.738 -0.017 0.000 0.914 307 Q HN 0.384 nan 8.270 nan 0.000 0.484 308 E N 0.590 120.784 120.200 -0.011 0.000 2.110 308 E HA -0.145 4.205 4.350 -0.000 0.000 0.193 308 E C 1.797 178.403 176.600 0.010 0.000 0.988 308 E CA 0.972 57.373 56.400 0.002 0.000 0.804 308 E CB 0.133 29.836 29.700 0.004 0.000 0.745 308 E HN 0.272 nan 8.360 nan 0.000 0.458 309 M N -1.102 118.501 119.600 0.005 0.000 2.541 309 M HA 0.143 4.623 4.480 -0.000 0.000 0.252 309 M C 1.187 177.506 176.300 0.032 0.000 1.125 309 M CA 0.705 56.017 55.300 0.020 0.000 1.091 309 M CB 0.834 33.438 32.600 0.007 0.000 1.420 309 M HN 0.290 nan 8.290 nan 0.000 0.486 310 G N 1.672 110.486 108.800 0.022 0.000 2.198 310 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.260 310 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.260 310 G C -0.182 174.745 174.900 0.045 0.000 1.025 310 G CA -0.307 44.804 45.100 0.017 0.000 0.769 310 G HN 0.472 nan 8.290 nan 0.000 0.507 311 F N 1.244 121.130 119.950 -0.106 0.000 2.471 311 F HA 0.488 5.015 4.527 -0.000 0.000 0.365 311 F C 0.874 176.612 175.800 -0.102 0.000 1.095 311 F CA -0.777 57.152 58.000 -0.119 0.000 1.174 311 F CB 0.299 39.184 39.000 -0.192 0.000 1.105 311 F HN 0.068 nan 8.300 nan 0.000 0.535 312 N N 3.019 121.310 118.700 -0.681 0.000 2.203 312 N HA 0.199 4.939 4.740 -0.000 0.000 0.207 312 N C 0.826 175.862 175.510 -0.790 0.000 1.130 312 N CA -0.173 52.524 53.050 -0.588 0.000 0.861 312 N CB 0.529 38.838 38.487 -0.295 0.000 1.005 312 N HN 0.702 nan 8.380 nan 0.000 0.507 313 G N 0.023 107.867 108.800 -1.593 0.000 2.494 313 G HA2 0.317 4.277 3.960 -0.000 0.000 0.270 313 G HA3 0.317 4.277 3.960 -0.000 0.000 0.270 313 G C -0.302 174.253 174.900 -0.576 0.000 1.423 313 G CA -0.365 44.153 45.100 -0.970 0.000 1.055 313 G HN -0.040 nan 8.290 nan 0.000 0.536 314 V N 0.675 120.569 119.914 -0.034 0.000 2.432 314 V HA 0.236 4.356 4.120 -0.000 0.000 0.271 314 V C 0.193 176.438 176.094 0.252 0.000 1.046 314 V CA -0.067 62.283 62.300 0.083 0.000 0.945 314 V CB 0.816 32.688 31.823 0.081 0.000 0.992 314 V HN 0.355 nan 8.190 nan 0.000 0.471 315 I N 5.704 126.379 120.570 0.174 0.000 2.331 315 I HA 0.421 4.590 4.170 -0.000 0.000 0.292 315 I C -0.194 175.944 176.117 0.035 0.000 0.998 315 I CA -0.247 61.122 61.300 0.116 0.000 1.267 315 I CB 1.621 39.661 38.000 0.066 0.000 1.386 315 I HN 0.381 nan 8.210 nan 0.000 0.476 316 V N 6.165 126.072 119.914 -0.012 0.000 2.604 316 V HA 0.468 4.588 4.120 -0.000 0.000 0.305 316 V C 0.320 176.365 176.094 -0.081 0.000 1.043 316 V CA -0.339 61.932 62.300 -0.048 0.000 0.888 316 V CB 2.365 34.134 31.823 -0.089 0.000 0.995 316 V HN 0.891 nan 8.190 nan 0.000 0.429 317 T N 2.423 116.950 114.554 -0.045 0.000 2.898 317 T HA 0.210 4.560 4.350 -0.000 0.000 0.301 317 T C 0.139 174.794 174.700 -0.075 0.000 1.049 317 T CA -0.341 61.752 62.100 -0.012 0.000 1.095 317 T CB 0.805 69.712 68.868 0.065 0.000 0.976 317 T HN 0.773 nan 8.240 nan 0.000 0.539 318 D N 0.799 121.128 120.400 -0.120 0.000 2.354 318 D HA 0.289 4.929 4.640 -0.000 0.000 0.238 318 D C 0.425 176.759 176.300 0.056 0.000 1.250 318 D CA -0.027 53.855 54.000 -0.196 0.000 0.911 318 D CB 0.420 40.872 40.800 -0.581 0.000 1.163 318 D HN 0.955 nan 8.370 nan 0.000 0.456 319 A N 2.227 125.105 122.820 0.098 0.000 2.548 319 A HA 0.073 4.393 4.320 -0.000 0.000 0.247 319 A C 1.384 179.106 177.584 0.231 0.000 1.067 319 A CA 0.061 52.195 52.037 0.162 0.000 0.757 319 A CB -0.175 18.924 19.000 0.167 0.000 0.996 319 A HN 0.647 nan 8.150 nan 0.000 0.504 320 L N 2.153 123.445 121.223 0.116 0.000 2.552 320 L HA -0.076 4.264 4.340 -0.000 0.000 0.227 320 L C 1.958 178.816 176.870 -0.020 0.000 1.146 320 L CA 0.679 55.530 54.840 0.019 0.000 0.858 320 L CB -0.378 41.681 42.059 0.001 0.000 0.969 320 L HN 0.941 nan 8.230 nan 0.000 0.451 321 N N -0.089 118.618 118.700 0.012 0.000 2.467 321 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 321 N C 0.618 176.116 175.510 -0.019 0.000 1.106 321 N CA 0.177 53.221 53.050 -0.010 0.000 0.892 321 N CB -0.116 38.366 38.487 -0.009 0.000 0.969 321 N HN 0.258 nan 8.380 nan 0.000 0.454 322 M N 0.903 120.500 119.600 -0.006 0.000 2.249 322 M HA 0.063 4.543 4.480 -0.000 0.000 0.340 322 M C 1.364 177.638 176.300 -0.044 0.000 1.166 322 M CA 0.162 55.446 55.300 -0.026 0.000 1.115 322 M CB 0.879 33.488 32.600 0.015 0.000 1.606 322 M HN -0.053 nan 8.290 nan 0.000 0.448 323 K N 1.861 122.238 120.400 -0.037 0.000 2.209 323 K HA -0.138 4.182 4.320 -0.000 0.000 0.204 323 K C 1.910 178.534 176.600 0.040 0.000 1.048 323 K CA 1.342 57.621 56.287 -0.013 0.000 0.940 323 K CB -0.232 32.272 32.500 0.006 0.000 0.729 323 K HN 0.831 nan 8.250 nan 0.000 0.451 324 A N 1.348 124.212 122.820 0.072 0.000 1.948 324 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 324 A C 1.940 179.626 177.584 0.169 0.000 1.177 324 A CA 1.430 53.555 52.037 0.147 0.000 0.636 324 A CB -0.288 18.797 19.000 0.141 0.000 0.815 324 A HN 0.107 nan 8.150 nan 0.000 0.449 325 I N -1.288 119.267 120.570 -0.024 0.000 2.685 325 I HA 0.043 4.213 4.170 -0.000 0.000 0.251 325 I C 2.821 179.020 176.117 0.136 0.000 1.102 325 I CA 1.179 62.492 61.300 0.022 0.000 1.442 325 I CB -1.633 36.186 38.000 -0.303 0.000 1.194 325 I HN 0.296 nan 8.210 nan 0.000 0.448 326 A N 0.493 123.318 122.820 0.009 0.000 2.015 326 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 326 A C 1.781 179.327 177.584 -0.064 0.000 1.163 326 A CA 1.562 53.593 52.037 -0.010 0.000 0.646 326 A CB -0.543 18.437 19.000 -0.033 0.000 0.806 326 A HN 0.338 nan 8.150 nan 0.000 0.448 327 D N -1.217 119.093 120.400 -0.149 0.000 2.269 327 D HA -0.056 4.584 4.640 -0.000 0.000 0.208 327 D C 1.339 177.338 176.300 -0.502 0.000 0.963 327 D CA 0.994 54.778 54.000 -0.360 0.000 0.864 327 D CB -0.110 40.367 40.800 -0.538 0.000 0.936 327 D HN 0.621 nan 8.370 nan 0.000 0.505 328 H N -2.177 116.823 119.070 -0.118 0.000 3.017 328 H HA 0.212 4.768 4.556 -0.000 0.000 0.255 328 H C -0.122 174.790 175.328 -0.693 0.000 0.990 328 H CA 0.151 55.966 56.048 -0.388 0.000 1.205 328 H CB 0.881 30.362 29.762 -0.468 0.000 1.460 328 H HN 0.036 nan 8.280 nan 0.000 0.478 329 F N 0.382 120.347 119.950 0.024 0.000 2.576 329 F HA 0.510 5.037 4.527 0.000 0.000 0.313 329 F C 1.040 176.815 175.800 -0.042 0.000 1.078 329 F CA -1.078 56.907 58.000 -0.026 0.000 0.921 329 F CB 1.428 40.385 39.000 -0.070 0.000 1.232 329 F HN -0.086 nan 8.300 nan 0.000 0.459 330 G N 0.633 109.511 108.800 0.130 0.000 2.636 330 G HA2 0.147 4.107 3.960 -0.000 0.000 0.246 330 G HA3 0.147 4.107 3.960 -0.000 0.000 0.246 330 G C 0.500 175.434 174.900 0.056 0.000 1.216 330 G CA -0.229 44.909 45.100 0.062 0.000 0.854 330 G HN 0.812 nan 8.290 nan 0.000 0.572 331 Q N -0.367 119.447 119.800 0.024 0.000 2.016 331 Q HA -0.124 4.216 4.340 -0.000 0.000 0.200 331 Q C 2.275 178.283 176.000 0.012 0.000 0.978 331 Q CA 1.980 57.789 55.803 0.010 0.000 0.833 331 Q CB -0.067 28.667 28.738 -0.005 0.000 0.895 331 Q HN 0.809 nan 8.270 nan 0.000 0.427 332 E N 0.338 120.548 120.200 0.017 0.000 2.072 332 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 332 E C 1.918 178.526 176.600 0.013 0.000 0.985 332 E CA 1.158 57.570 56.400 0.020 0.000 0.801 332 E CB -0.100 29.615 29.700 0.025 0.000 0.750 332 E HN 0.434 nan 8.360 nan 0.000 0.452 333 E N 0.892 121.104 120.200 0.021 0.000 2.097 333 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 333 E C 2.009 178.587 176.600 -0.038 0.000 1.000 333 E CA 1.190 57.599 56.400 0.015 0.000 0.804 333 E CB -0.080 29.659 29.700 0.064 0.000 0.740 333 E HN 0.238 nan 8.360 nan 0.000 0.454 334 A N 0.382 123.180 122.820 -0.037 0.000 1.898 334 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 334 A C 2.394 179.911 177.584 -0.111 0.000 1.181 334 A CA 1.366 53.327 52.037 -0.127 0.000 0.620 334 A CB -0.529 18.417 19.000 -0.090 0.000 0.819 334 A HN 0.230 nan 8.150 nan 0.000 0.442 335 V N -0.422 119.462 119.914 -0.050 0.000 2.307 335 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 335 V C 2.573 178.649 176.094 -0.031 0.000 1.045 335 V CA 1.944 64.228 62.300 -0.027 0.000 1.024 335 V CB -0.747 31.080 31.823 0.007 0.000 0.651 335 V HN 0.363 nan 8.190 nan 0.000 0.449 336 V N -0.491 119.407 119.914 -0.027 0.000 2.343 336 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 336 V C 2.382 178.448 176.094 -0.047 0.000 1.051 336 V CA 2.377 64.665 62.300 -0.021 0.000 1.036 336 V CB -0.587 31.232 31.823 -0.007 0.000 0.654 336 V HN 0.454 nan 8.190 nan 0.000 0.451 337 M N -0.285 119.259 119.600 -0.094 0.000 2.117 337 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 337 M C 2.362 178.589 176.300 -0.121 0.000 1.065 337 M CA 2.099 57.313 55.300 -0.143 0.000 1.114 337 M CB -0.554 31.867 32.600 -0.299 0.000 1.361 337 M HN 0.415 nan 8.290 nan 0.000 0.408 338 A N -0.208 122.544 122.820 -0.113 0.000 1.898 338 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 338 A C 2.214 179.774 177.584 -0.040 0.000 1.181 338 A CA 1.544 53.536 52.037 -0.076 0.000 0.620 338 A CB -0.940 18.026 19.000 -0.058 0.000 0.819 338 A HN 0.293 nan 8.150 nan 0.000 0.442 339 V N 0.206 120.103 119.914 -0.029 0.000 2.343 339 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 339 V C 2.416 178.502 176.094 -0.012 0.000 1.051 339 V CA 2.326 64.618 62.300 -0.013 0.000 1.036 339 V CB -0.709 31.111 31.823 -0.004 0.000 0.654 339 V HN 0.537 nan 8.190 nan 0.000 0.451 340 K N 0.335 120.726 120.400 -0.015 0.000 2.103 340 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 340 K C 2.166 178.764 176.600 -0.004 0.000 1.048 340 K CA 1.499 57.783 56.287 -0.005 0.000 0.930 340 K CB -0.386 32.113 32.500 -0.001 0.000 0.716 340 K HN 0.496 nan 8.250 nan 0.000 0.444 341 A N 0.050 122.862 122.820 -0.014 0.000 2.119 341 A HA 0.053 4.373 4.320 -0.000 0.000 0.217 341 A C 1.529 179.108 177.584 -0.008 0.000 1.153 341 A CA 1.415 53.448 52.037 -0.007 0.000 0.692 341 A CB -0.191 18.799 19.000 -0.016 0.000 0.799 341 A HN 0.461 nan 8.150 nan 0.000 0.458 342 G N -1.710 107.084 108.800 -0.011 0.000 2.183 342 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.168 342 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.168 342 G C 0.349 175.242 174.900 -0.012 0.000 1.008 342 G CA 0.237 45.330 45.100 -0.013 0.000 0.677 342 G HN 1.624 nan 8.290 nan 0.000 0.498 343 V N -1.389 118.519 119.914 -0.010 0.000 2.924 343 V HA 0.586 4.706 4.120 -0.000 0.000 0.305 343 V C 0.944 177.038 176.094 0.000 0.000 1.073 343 V CA 0.754 63.052 62.300 -0.004 0.000 1.098 343 V CB 1.372 33.193 31.823 -0.004 0.000 1.000 343 V HN 0.090 nan 8.190 nan 0.000 0.484 344 D N 2.443 122.847 120.400 0.008 0.000 2.324 344 D HA 0.276 4.916 4.640 -0.000 0.000 0.212 344 D C 0.445 176.756 176.300 0.018 0.000 0.984 344 D CA 1.086 55.092 54.000 0.009 0.000 0.885 344 D CB 0.761 41.565 40.800 0.007 0.000 0.996 344 D HN 0.573 nan 8.370 nan 0.000 0.505 345 I N 0.918 121.501 120.570 0.021 0.000 2.499 345 I HA 0.338 4.508 4.170 -0.000 0.000 0.288 345 I C -0.681 175.446 176.117 0.018 0.000 1.048 345 I CA -0.985 60.332 61.300 0.027 0.000 1.062 345 I CB 2.343 40.369 38.000 0.043 0.000 1.238 345 I HN -0.224 nan 8.210 nan 0.000 0.426 346 A N 6.878 129.710 122.820 0.021 0.000 2.279 346 A HA 0.518 4.838 4.320 -0.000 0.000 0.306 346 A C -0.696 176.900 177.584 0.019 0.000 1.300 346 A CA -0.325 51.723 52.037 0.019 0.000 0.925 346 A CB 0.271 19.284 19.000 0.022 0.000 1.152 346 A HN 0.591 nan 8.150 nan 0.000 0.544 347 L N 3.548 124.783 121.223 0.019 0.000 2.290 347 L HA 0.476 4.816 4.340 -0.000 0.000 0.284 347 L C 0.514 177.408 176.870 0.040 0.000 1.078 347 L CA 0.336 55.192 54.840 0.026 0.000 0.815 347 L CB -0.127 41.936 42.059 0.007 0.000 1.162 347 L HN 0.871 nan 8.230 nan 0.000 0.435 348 M N 6.047 125.661 119.600 0.024 0.000 2.573 348 M HA -0.169 4.311 4.480 -0.000 0.000 0.184 348 M C -1.697 174.621 176.300 0.030 0.000 0.953 348 M CA 0.252 55.568 55.300 0.028 0.000 0.592 348 M CB -0.891 31.758 32.600 0.082 0.000 1.151 348 M HN 0.519 nan 8.290 nan 0.000 0.850 349 P HA 0.112 nan 4.420 nan 0.000 0.221 349 P C 0.265 177.590 177.300 0.042 0.000 1.150 349 P CA 1.850 64.979 63.100 0.048 0.000 0.800 349 P CB 0.386 32.132 31.700 0.076 0.000 0.787 350 A N -1.250 121.599 122.820 0.049 0.000 2.589 350 A HA 0.503 4.823 4.320 -0.000 0.000 0.296 350 A C -0.954 176.576 177.584 -0.091 0.000 1.062 350 A CA -0.432 51.577 52.037 -0.046 0.000 0.686 350 A CB 1.125 20.049 19.000 -0.126 0.000 1.282 350 A HN -0.108 nan 8.150 nan 0.000 0.404 351 S N 0.997 116.628 115.700 -0.115 0.000 2.410 351 S HA 0.552 5.022 4.470 -0.000 0.000 0.304 351 S C -0.854 173.666 174.600 -0.135 0.000 1.095 351 S CA -0.323 57.821 58.200 -0.094 0.000 1.089 351 S CB -0.004 63.164 63.200 -0.054 0.000 0.968 351 S HN 0.986 nan 8.310 nan 0.000 0.480 352 V N 5.790 125.641 119.914 -0.106 0.000 2.334 352 V HA 0.374 4.494 4.120 -0.000 0.000 0.281 352 V C 1.093 177.342 176.094 0.258 0.000 1.016 352 V CA -0.365 61.921 62.300 -0.023 0.000 0.832 352 V CB 1.211 32.936 31.823 -0.163 0.000 0.999 352 V HN 1.010 nan 8.190 nan 0.000 0.439 353 T N -0.496 114.053 114.554 -0.007 0.000 3.044 353 T HA 0.303 4.653 4.350 -0.000 0.000 0.260 353 T C 0.442 174.602 174.700 -0.899 0.000 1.019 353 T CA 0.375 62.385 62.100 -0.151 0.000 0.921 353 T CB 0.214 69.022 68.868 -0.099 0.000 1.053 353 T HN 0.786 nan 8.240 nan 0.000 0.533 354 S N -0.436 114.712 115.700 -0.920 0.000 2.588 354 S HA 0.520 4.990 4.470 -0.000 0.000 0.269 354 S C 0.351 174.737 174.600 -0.357 0.000 1.157 354 S CA -0.987 56.573 58.200 -1.066 0.000 0.824 354 S CB 0.643 63.521 63.200 -0.537 0.000 1.126 354 S HN 0.050 nan 8.310 nan 0.000 0.464 355 L N 0.770 121.971 121.223 -0.037 0.000 2.191 355 L HA -0.010 4.330 4.340 -0.000 0.000 0.212 355 L C 2.184 179.116 176.870 0.103 0.000 1.103 355 L CA 1.127 56.095 54.840 0.214 0.000 0.769 355 L CB -0.519 41.682 42.059 0.237 0.000 0.908 355 L HN 0.742 nan 8.230 nan 0.000 0.438 356 K N 0.063 120.465 120.400 0.003 0.000 2.442 356 K HA -0.131 4.189 4.320 -0.000 0.000 0.198 356 K C 1.227 177.826 176.600 -0.003 0.000 1.042 356 K CA 0.847 57.133 56.287 -0.002 0.000 0.958 356 K CB 0.062 32.540 32.500 -0.037 0.000 0.766 356 K HN 0.364 nan 8.250 nan 0.000 0.474 357 E N -0.153 120.040 120.200 -0.012 0.000 2.538 357 E HA -0.056 4.294 4.350 -0.000 0.000 0.207 357 E C 0.903 177.492 176.600 -0.017 0.000 1.002 357 E CA 0.005 56.383 56.400 -0.037 0.000 0.952 357 E CB 0.641 30.286 29.700 -0.091 0.000 1.031 357 E HN 0.339 nan 8.360 nan 0.000 0.476 358 E N 0.870 121.134 120.200 0.107 0.000 2.265 358 E HA -0.211 4.139 4.350 -0.000 0.000 0.196 358 E C 1.690 178.404 176.600 0.191 0.000 0.996 358 E CA 0.911 57.448 56.400 0.230 0.000 0.832 358 E CB -0.065 29.894 29.700 0.432 0.000 0.756 358 E HN 0.026 nan 8.360 nan 0.000 0.491 359 Q N 0.896 120.776 119.800 0.134 0.000 2.364 359 Q HA -0.080 4.260 4.340 -0.000 0.000 0.209 359 Q C 1.632 177.656 176.000 0.039 0.000 0.977 359 Q CA 1.054 56.935 55.803 0.130 0.000 0.885 359 Q CB -0.107 28.688 28.738 0.094 0.000 0.941 359 Q HN 0.496 nan 8.270 nan 0.000 0.464 360 K N -0.354 119.992 120.400 -0.089 0.000 2.103 360 K HA -0.142 4.178 4.320 -0.000 0.000 0.207 360 K C 1.869 178.398 176.600 -0.119 0.000 1.048 360 K CA 1.192 57.383 56.287 -0.160 0.000 0.930 360 K CB -0.168 32.150 32.500 -0.303 0.000 0.716 360 K HN 0.121 nan 8.250 nan 0.000 0.444 361 F N 0.840 120.728 119.950 -0.103 0.000 2.146 361 F HA -0.089 4.439 4.527 0.000 0.000 0.298 361 F C 2.547 178.194 175.800 -0.256 0.000 1.096 361 F CA 0.852 58.661 58.000 -0.319 0.000 1.275 361 F CB -1.067 37.416 39.000 -0.861 0.000 1.008 361 F HN 0.004 nan 8.300 nan 0.000 0.480 362 A N 0.183 123.080 122.820 0.128 0.000 1.940 362 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 362 A C 2.373 180.052 177.584 0.158 0.000 1.176 362 A CA 1.549 53.754 52.037 0.281 0.000 0.631 362 A CB -0.654 18.550 19.000 0.339 0.000 0.814 362 A HN 0.308 nan 8.150 nan 0.000 0.446 363 R N -0.855 119.708 120.500 0.104 0.000 2.092 363 R HA -0.044 4.296 4.340 -0.000 0.000 0.231 363 R C 2.012 178.353 176.300 0.068 0.000 1.119 363 R CA 1.288 57.431 56.100 0.072 0.000 0.970 363 R CB -0.456 29.870 30.300 0.044 0.000 0.864 363 R HN 0.404 nan 8.270 nan 0.000 0.440 364 V N 1.416 121.375 119.914 0.075 0.000 2.358 364 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 364 V C 2.301 178.443 176.094 0.080 0.000 1.047 364 V CA 1.411 63.756 62.300 0.075 0.000 1.035 364 V CB -0.318 31.565 31.823 0.100 0.000 0.658 364 V HN 0.254 nan 8.190 nan 0.000 0.452 365 I N 0.004 120.635 120.570 0.101 0.000 2.226 365 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 365 I C 2.547 178.716 176.117 0.086 0.000 1.100 365 I CA 1.693 63.055 61.300 0.104 0.000 1.374 365 I CB -1.062 37.028 38.000 0.151 0.000 1.057 365 I HN 0.401 nan 8.210 nan 0.000 0.413 366 Q N 1.436 121.289 119.800 0.088 0.000 2.084 366 Q HA -0.098 4.242 4.340 -0.000 0.000 0.202 366 Q C 2.215 178.247 176.000 0.054 0.000 0.978 366 Q CA 2.254 58.099 55.803 0.070 0.000 0.844 366 Q CB -0.348 28.433 28.738 0.071 0.000 0.898 366 Q HN 0.439 nan 8.270 nan 0.000 0.426 367 A N 0.087 122.938 122.820 0.051 0.000 1.902 367 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 367 A C 2.148 179.753 177.584 0.036 0.000 1.181 367 A CA 1.421 53.483 52.037 0.040 0.000 0.623 367 A CB -0.770 18.252 19.000 0.037 0.000 0.818 367 A HN 0.451 nan 8.150 nan 0.000 0.443 368 L N -0.766 120.481 121.223 0.040 0.000 2.046 368 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 368 L C 2.615 179.505 176.870 0.033 0.000 1.077 368 L CA 1.663 56.523 54.840 0.034 0.000 0.747 368 L CB -0.379 41.703 42.059 0.039 0.000 0.896 368 L HN 0.344 nan 8.230 nan 0.000 0.432 369 K N -0.431 119.992 120.400 0.039 0.000 2.097 369 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 369 K C 2.069 178.687 176.600 0.030 0.000 1.049 369 K CA 1.064 57.372 56.287 0.035 0.000 0.933 369 K CB -0.015 32.510 32.500 0.041 0.000 0.717 369 K HN 0.245 nan 8.250 nan 0.000 0.442 370 E N 0.332 120.551 120.200 0.032 0.000 2.106 370 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 370 E C 1.943 178.558 176.600 0.025 0.000 0.984 370 E CA 0.978 57.395 56.400 0.028 0.000 0.806 370 E CB -0.084 29.634 29.700 0.030 0.000 0.750 370 E HN 0.288 nan 8.360 nan 0.000 0.458 371 A N 0.853 123.688 122.820 0.025 0.000 1.969 371 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 371 A C 2.556 180.152 177.584 0.020 0.000 1.169 371 A CA 1.101 53.152 52.037 0.023 0.000 0.635 371 A CB -0.400 18.613 19.000 0.021 0.000 0.810 371 A HN 0.120 nan 8.150 nan 0.000 0.445 372 V N 0.236 120.163 119.914 0.020 0.000 2.323 372 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 372 V C 2.492 178.596 176.094 0.017 0.000 1.041 372 V CA 2.183 64.493 62.300 0.018 0.000 1.025 372 V CB -0.642 31.192 31.823 0.018 0.000 0.656 372 V HN 0.684 nan 8.190 nan 0.000 0.451 373 K N 1.243 121.654 120.400 0.019 0.000 2.103 373 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 373 K C 1.803 178.413 176.600 0.017 0.000 1.048 373 K CA 2.151 58.449 56.287 0.018 0.000 0.930 373 K CB -0.213 32.298 32.500 0.019 0.000 0.716 373 K HN 0.607 nan 8.250 nan 0.000 0.444 374 N N -0.970 117.741 118.700 0.018 0.000 2.336 374 N HA 0.009 4.749 4.740 -0.000 0.000 0.189 374 N C 0.769 176.289 175.510 0.017 0.000 1.113 374 N CA 1.102 54.163 53.050 0.018 0.000 0.858 374 N CB 0.876 39.375 38.487 0.020 0.000 0.970 374 N HN 0.342 nan 8.380 nan 0.000 0.471 375 G N -0.045 108.765 108.800 0.016 0.000 2.175 375 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.244 375 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.244 375 G C 0.588 175.497 174.900 0.016 0.000 0.982 375 G CA 0.351 45.459 45.100 0.015 0.000 0.641 375 G HN 0.397 nan 8.290 nan 0.000 0.527 376 D N 0.183 120.594 120.400 0.018 0.000 2.178 376 D HA 0.035 4.675 4.640 -0.000 0.000 0.201 376 D C 1.379 177.690 176.300 0.017 0.000 0.980 376 D CA 1.018 55.030 54.000 0.020 0.000 0.842 376 D CB 0.179 40.994 40.800 0.024 0.000 0.948 376 D HN 0.562 nan 8.370 nan 0.000 0.472 377 I N 1.611 122.190 120.570 0.015 0.000 2.437 377 I HA 0.214 4.384 4.170 -0.000 0.000 0.279 377 I C -2.476 173.648 176.117 0.011 0.000 1.028 377 I CA -2.238 59.069 61.300 0.012 0.000 1.142 377 I CB 2.147 40.154 38.000 0.011 0.000 1.266 377 I HN -0.369 nan 8.210 nan 0.000 0.461 378 P HA -0.014 nan 4.420 nan 0.000 0.266 378 P C 0.661 177.964 177.300 0.006 0.000 1.195 378 P CA 0.115 63.219 63.100 0.007 0.000 0.768 378 P CB 0.827 32.530 31.700 0.005 0.000 0.838 379 E N 2.091 122.295 120.200 0.007 0.000 2.153 379 E HA -0.300 4.050 4.350 -0.000 0.000 0.194 379 E C 1.638 178.240 176.600 0.003 0.000 0.988 379 E CA 0.998 57.402 56.400 0.006 0.000 0.811 379 E CB -0.043 29.661 29.700 0.007 0.000 0.746 379 E HN 0.303 nan 8.360 nan 0.000 0.466 380 Q N 0.800 120.600 119.800 0.001 0.000 2.181 380 Q HA -0.229 4.111 4.340 -0.000 0.000 0.205 380 Q C 1.884 177.881 176.000 -0.005 0.000 0.980 380 Q CA 1.846 57.648 55.803 -0.002 0.000 0.862 380 Q CB -0.163 28.573 28.738 -0.003 0.000 0.905 380 Q HN 0.398 nan 8.270 nan 0.000 0.429 381 Q N -0.784 119.014 119.800 -0.003 0.000 2.084 381 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 381 Q C 1.704 177.701 176.000 -0.005 0.000 0.978 381 Q CA 1.415 57.214 55.803 -0.006 0.000 0.844 381 Q CB -0.057 28.679 28.738 -0.003 0.000 0.898 381 Q HN 0.420 nan 8.270 nan 0.000 0.426 382 I N 1.797 122.367 120.570 0.000 0.000 2.163 382 I HA -0.296 3.874 4.170 -0.000 0.000 0.243 382 I C 1.917 178.034 176.117 0.001 0.000 1.085 382 I CA 1.329 62.631 61.300 0.003 0.000 1.347 382 I CB -1.667 36.338 38.000 0.008 0.000 1.044 382 I HN 0.311 nan 8.210 nan 0.000 0.408 383 N N 1.526 120.226 118.700 -0.000 0.000 2.069 383 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 383 N C 1.538 177.044 175.510 -0.007 0.000 1.031 383 N CA 1.279 54.328 53.050 -0.001 0.000 0.852 383 N CB -0.639 37.847 38.487 -0.002 0.000 1.018 383 N HN 0.389 nan 8.380 nan 0.000 0.423 384 N N 0.559 119.251 118.700 -0.013 0.000 2.120 384 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 384 N C 1.750 177.243 175.510 -0.027 0.000 1.024 384 N CA 0.798 53.834 53.050 -0.023 0.000 0.852 384 N CB -0.532 37.938 38.487 -0.029 0.000 1.003 384 N HN 0.127 nan 8.380 nan 0.000 0.424 385 S N 0.359 116.047 115.700 -0.020 0.000 2.356 385 S HA -0.051 4.419 4.470 -0.000 0.000 0.223 385 S C 2.205 176.799 174.600 -0.011 0.000 1.032 385 S CA 0.815 59.004 58.200 -0.018 0.000 1.005 385 S CB -0.217 62.978 63.200 -0.009 0.000 0.867 385 S HN 0.102 nan 8.310 nan 0.000 0.449 386 V N 1.847 121.759 119.914 -0.002 0.000 2.515 386 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 386 V C 2.227 178.325 176.094 0.006 0.000 1.058 386 V CA 1.496 63.799 62.300 0.005 0.000 1.064 386 V CB -0.691 31.137 31.823 0.009 0.000 0.675 386 V HN 0.483 nan 8.190 nan 0.000 0.461 387 E N 0.050 120.249 120.200 -0.002 0.000 2.110 387 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 387 E C 2.479 179.071 176.600 -0.013 0.000 0.988 387 E CA 1.027 57.425 56.400 -0.003 0.000 0.804 387 E CB -0.149 29.544 29.700 -0.013 0.000 0.745 387 E HN 0.572 nan 8.360 nan 0.000 0.458 388 R N 0.303 120.785 120.500 -0.031 0.000 2.092 388 R HA -0.072 4.268 4.340 -0.000 0.000 0.231 388 R C 2.374 178.661 176.300 -0.022 0.000 1.119 388 R CA 0.948 57.018 56.100 -0.050 0.000 0.970 388 R CB -0.256 29.995 30.300 -0.083 0.000 0.864 388 R HN 0.198 nan 8.270 nan 0.000 0.440 389 I N 0.648 121.216 120.570 -0.003 0.000 2.202 389 I HA -0.263 3.907 4.170 -0.000 0.000 0.242 389 I C 2.134 178.269 176.117 0.029 0.000 1.091 389 I CA 0.995 62.303 61.300 0.014 0.000 1.368 389 I CB -0.200 37.809 38.000 0.014 0.000 1.058 389 I HN 0.077 nan 8.210 nan 0.000 0.410 390 I N 0.155 120.750 120.570 0.043 0.000 2.226 390 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 390 I C 2.783 178.957 176.117 0.096 0.000 1.100 390 I CA 1.427 62.788 61.300 0.101 0.000 1.374 390 I CB -1.369 36.706 38.000 0.124 0.000 1.057 390 I HN 0.220 nan 8.210 nan 0.000 0.413 391 S N 0.918 116.643 115.700 0.041 0.000 2.370 391 S HA -0.195 4.275 4.470 -0.000 0.000 0.226 391 S C 2.036 176.647 174.600 0.018 0.000 1.033 391 S CA 1.391 59.600 58.200 0.016 0.000 1.011 391 S CB -0.349 62.842 63.200 -0.016 0.000 0.852 391 S HN 0.349 nan 8.310 nan 0.000 0.457 392 L N 1.629 122.863 121.223 0.018 0.000 2.056 392 L HA 0.047 4.387 4.340 -0.000 0.000 0.207 392 L C 2.154 179.048 176.870 0.038 0.000 1.078 392 L CA 1.899 56.752 54.840 0.020 0.000 0.749 392 L CB -0.764 41.308 42.059 0.021 0.000 0.901 392 L HN 0.201 nan 8.230 nan 0.000 0.433 393 K N -0.458 119.979 120.400 0.063 0.000 2.103 393 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 393 K C 2.079 178.750 176.600 0.120 0.000 1.048 393 K CA 1.898 58.242 56.287 0.095 0.000 0.930 393 K CB -0.298 32.275 32.500 0.121 0.000 0.716 393 K HN 0.388 nan 8.250 nan 0.000 0.444 394 I N 1.057 121.690 120.570 0.105 0.000 2.202 394 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 394 I C 2.564 178.690 176.117 0.016 0.000 1.091 394 I CA 1.124 62.447 61.300 0.040 0.000 1.368 394 I CB -0.201 37.794 38.000 -0.009 0.000 1.058 394 I HN 0.135 nan 8.210 nan 0.000 0.410 395 K N 0.953 121.361 120.400 0.013 0.000 2.063 395 K HA -0.149 4.171 4.320 -0.000 0.000 0.208 395 K C 1.871 178.475 176.600 0.006 0.000 1.048 395 K CA 1.332 57.621 56.287 0.003 0.000 0.928 395 K CB 0.103 32.603 32.500 -0.000 0.000 0.713 395 K HN 0.111 nan 8.250 nan 0.000 0.442 396 R N -0.543 119.966 120.500 0.014 0.000 2.356 396 R HA 0.074 4.414 4.340 -0.000 0.000 0.234 396 R C 0.562 176.870 176.300 0.014 0.000 0.929 396 R CA 0.737 56.843 56.100 0.010 0.000 1.084 396 R CB 0.510 30.814 30.300 0.007 0.000 1.105 396 R HN 0.550 nan 8.270 nan 0.000 0.515 397 G N 1.469 110.282 108.800 0.021 0.000 2.176 397 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 397 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 397 G C 0.775 175.699 174.900 0.041 0.000 1.024 397 G CA 0.520 45.634 45.100 0.024 0.000 0.755 397 G HN 0.314 nan 8.290 nan 0.000 0.507 398 M N -1.798 117.840 119.600 0.062 0.000 2.435 398 M HA 0.287 4.767 4.480 -0.000 0.000 0.265 398 M C 0.646 177.037 176.300 0.153 0.000 1.104 398 M CA 0.791 56.135 55.300 0.073 0.000 1.140 398 M CB 0.463 33.094 32.600 0.051 0.000 1.372 398 M HN 0.288 nan 8.290 nan 0.000 0.456 399 Y N 1.301 121.595 120.300 -0.009 0.000 2.307 399 Y HA 0.441 4.991 4.550 0.000 0.000 0.323 399 Y C -2.896 172.999 175.900 -0.008 0.000 1.100 399 Y CA -3.745 54.350 58.100 -0.007 0.000 1.140 399 Y CB 0.982 39.438 38.460 -0.007 0.000 1.159 399 Y HN -0.116 nan 8.280 nan 0.000 0.436 400 P HA 0.323 nan 4.420 nan 0.000 0.270 400 P C -0.771 176.596 177.300 0.112 0.000 1.223 400 P CA -0.147 63.008 63.100 0.092 0.000 0.785 400 P CB 0.670 32.363 31.700 -0.012 0.000 0.923 401 A N 2.393 125.284 122.820 0.119 0.000 2.498 401 A HA 0.080 4.400 4.320 -0.000 0.000 0.239 401 A C 1.085 178.695 177.584 0.042 0.000 1.068 401 A CA 0.187 52.266 52.037 0.071 0.000 0.766 401 A CB -0.156 18.879 19.000 0.058 0.000 1.003 401 A HN 0.558 nan 8.150 nan 0.000 0.497 402 R N 0.469 120.987 120.500 0.030 0.000 2.316 402 R HA 0.072 4.412 4.340 -0.000 0.000 0.201 402 R C -0.012 176.297 176.300 0.015 0.000 0.888 402 R CA -0.137 55.974 56.100 0.018 0.000 1.041 402 R CB 0.225 30.533 30.300 0.015 0.000 1.115 402 R HN 0.727 nan 8.270 nan 0.000 0.559 403 N N 0.992 119.702 118.700 0.016 0.000 2.420 403 N HA 0.010 4.750 4.740 -0.000 0.000 0.249 403 N C 0.185 175.702 175.510 0.012 0.000 1.033 403 N CA 0.004 53.061 53.050 0.012 0.000 0.944 403 N CB 1.468 39.962 38.487 0.012 0.000 1.113 403 N HN 0.041 nan 8.380 nan 0.000 0.502 404 S N 0.949 116.654 115.700 0.009 0.000 2.540 404 S HA 0.153 4.623 4.470 -0.000 0.000 0.218 404 S C 0.122 174.725 174.600 0.006 0.000 0.977 404 S CA -0.502 57.702 58.200 0.007 0.000 0.918 404 S CB 0.147 63.351 63.200 0.006 0.000 0.806 404 S HN 0.378 nan 8.310 nan 0.000 0.496 405 D N 3.798 124.201 120.400 0.006 0.000 2.423 405 D HA 0.230 4.870 4.640 -0.000 0.000 0.238 405 D C 0.667 176.970 176.300 0.004 0.000 1.142 405 D CA 0.369 54.371 54.000 0.005 0.000 0.884 405 D CB 1.081 41.884 40.800 0.005 0.000 1.199 405 D HN 0.475 nan 8.370 nan 0.000 0.438 406 S N 0.423 116.125 115.700 0.002 0.000 2.589 406 S HA 0.044 4.514 4.470 -0.000 0.000 0.265 406 S C 1.316 175.917 174.600 0.002 0.000 1.342 406 S CA -0.389 57.812 58.200 0.001 0.000 1.005 406 S CB 0.844 64.044 63.200 -0.000 0.000 0.909 406 S HN 0.420 nan 8.310 nan 0.000 0.555 407 T N 1.759 116.313 114.554 0.000 0.000 2.720 407 T HA -0.123 4.227 4.350 -0.000 0.000 0.268 407 T C 1.705 176.405 174.700 0.000 0.000 1.037 407 T CA 1.676 63.776 62.100 0.001 0.000 1.144 407 T CB -0.375 68.492 68.868 -0.002 0.000 0.864 407 T HN 0.637 nan 8.240 nan 0.000 0.444 408 K N 0.853 121.252 120.400 -0.001 0.000 2.063 408 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 408 K C 2.457 179.057 176.600 0.000 0.000 1.048 408 K CA 1.418 57.705 56.287 -0.001 0.000 0.928 408 K CB -0.147 32.352 32.500 -0.002 0.000 0.713 408 K HN 0.477 nan 8.250 nan 0.000 0.442 409 E N 0.746 120.946 120.200 0.001 0.000 2.077 409 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 409 E C 1.903 178.504 176.600 0.002 0.000 0.989 409 E CA 1.153 57.554 56.400 0.001 0.000 0.800 409 E CB 0.108 29.809 29.700 0.002 0.000 0.746 409 E HN 0.221 nan 8.360 nan 0.000 0.452 410 K N 0.410 120.812 120.400 0.004 0.000 2.097 410 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 410 K C 2.137 178.740 176.600 0.005 0.000 1.049 410 K CA 1.008 57.299 56.287 0.006 0.000 0.933 410 K CB -0.107 32.397 32.500 0.007 0.000 0.717 410 K HN 0.140 nan 8.250 nan 0.000 0.442 411 I N 1.015 121.587 120.570 0.004 0.000 2.179 411 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 411 I C 2.527 178.645 176.117 0.002 0.000 1.088 411 I CA 1.117 62.419 61.300 0.003 0.000 1.357 411 I CB -0.360 37.642 38.000 0.002 0.000 1.051 411 I HN 0.143 nan 8.210 nan 0.000 0.409 412 A N 0.663 123.483 122.820 0.000 0.000 1.933 412 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 412 A C 2.308 179.891 177.584 -0.003 0.000 1.175 412 A CA 1.634 53.670 52.037 -0.002 0.000 0.628 412 A CB -0.424 18.575 19.000 -0.002 0.000 0.814 412 A HN 0.319 nan 8.150 nan 0.000 0.444 413 K N -0.424 119.976 120.400 -0.000 0.000 2.057 413 K HA -0.016 4.304 4.320 -0.000 0.000 0.206 413 K C 2.306 178.906 176.600 0.001 0.000 1.050 413 K CA 1.072 57.359 56.287 0.000 0.000 0.935 413 K CB -0.304 32.199 32.500 0.004 0.000 0.715 413 K HN 0.427 nan 8.250 nan 0.000 0.439 414 A N 1.767 124.590 122.820 0.005 0.000 1.972 414 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 414 A C 1.786 179.372 177.584 0.002 0.000 1.169 414 A CA 1.412 53.454 52.037 0.009 0.000 0.635 414 A CB -0.250 18.758 19.000 0.013 0.000 0.810 414 A HN 0.185 nan 8.150 nan 0.000 0.446 415 K N -0.325 120.074 120.400 -0.002 0.000 2.362 415 K HA -0.071 4.249 4.320 -0.000 0.000 0.200 415 K C 1.504 178.093 176.600 -0.019 0.000 1.046 415 K CA 1.239 57.521 56.287 -0.007 0.000 0.952 415 K CB -0.054 32.442 32.500 -0.006 0.000 0.753 415 K HN 0.440 nan 8.250 nan 0.000 0.466 416 K N -0.061 120.324 120.400 -0.024 0.000 2.400 416 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 416 K C 1.562 178.115 176.600 -0.078 0.000 1.033 416 K CA 0.427 56.688 56.287 -0.044 0.000 1.021 416 K CB 0.397 32.877 32.500 -0.034 0.000 0.808 416 K HN 0.078 nan 8.250 nan 0.000 0.505 417 I N 0.068 120.604 120.570 -0.057 0.000 2.947 417 I HA -0.029 4.141 4.170 -0.000 0.000 0.263 417 I C 0.321 176.413 176.117 -0.042 0.000 1.130 417 I CA 0.088 61.344 61.300 -0.073 0.000 1.448 417 I CB 0.635 38.645 38.000 0.018 0.000 1.222 417 I HN -0.229 nan 8.210 nan 0.000 0.453 418 V N 2.631 122.557 119.914 0.021 0.000 2.439 418 V HA 0.275 4.395 4.120 -0.000 0.000 0.271 418 V C 1.107 177.224 176.094 0.039 0.000 1.040 418 V CA 0.464 62.804 62.300 0.067 0.000 1.002 418 V CB -0.075 31.776 31.823 0.048 0.000 1.000 418 V HN 0.712 nan 8.190 nan 0.000 0.477 419 G N 4.123 112.971 108.800 0.080 0.000 2.198 419 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.260 419 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.260 419 G C 0.392 175.281 174.900 -0.018 0.000 1.025 419 G CA 0.348 45.468 45.100 0.033 0.000 0.769 419 G HN 1.253 nan 8.290 nan 0.000 0.507 420 S N -0.775 114.864 115.700 -0.101 0.000 2.576 420 S HA 0.410 4.880 4.470 -0.000 0.000 0.272 420 S C 1.620 176.161 174.600 -0.099 0.000 1.352 420 S CA 0.424 58.521 58.200 -0.171 0.000 1.021 420 S CB 1.322 64.292 63.200 -0.383 0.000 0.887 420 S HN 0.205 nan 8.310 nan 0.000 0.542 421 K N 0.985 121.342 120.400 -0.073 0.000 2.147 421 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 421 K C 2.231 178.820 176.600 -0.018 0.000 1.049 421 K CA 1.591 57.857 56.287 -0.034 0.000 0.936 421 K CB -0.609 31.875 32.500 -0.025 0.000 0.722 421 K HN 0.883 nan 8.250 nan 0.000 0.446 422 Q N 0.466 120.244 119.800 -0.037 0.000 2.084 422 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 422 Q C 1.784 177.862 176.000 0.129 0.000 0.978 422 Q CA 1.416 57.233 55.803 0.023 0.000 0.844 422 Q CB -0.067 28.674 28.738 0.005 0.000 0.898 422 Q HN 0.574 nan 8.270 nan 0.000 0.426 423 H N -0.046 119.025 119.070 0.002 0.000 2.387 423 H HA -0.094 4.462 4.556 -0.000 0.000 0.299 423 H C 2.236 177.513 175.328 -0.085 0.000 1.090 423 H CA 1.097 57.142 56.048 -0.006 0.000 1.332 423 H CB 0.126 29.882 29.762 -0.010 0.000 1.386 423 H HN 0.258 nan 8.280 nan 0.000 0.516 424 L N 0.710 121.955 121.223 0.036 0.000 2.083 424 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 424 L C 2.328 179.177 176.870 -0.035 0.000 1.083 424 L CA 1.207 56.018 54.840 -0.049 0.000 0.752 424 L CB -0.287 41.751 42.059 -0.035 0.000 0.899 424 L HN 0.225 nan 8.230 nan 0.000 0.433 425 K N 0.183 120.587 120.400 0.006 0.000 2.097 425 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 425 K C 2.264 178.884 176.600 0.033 0.000 1.049 425 K CA 1.313 57.608 56.287 0.013 0.000 0.933 425 K CB -0.204 32.310 32.500 0.024 0.000 0.717 425 K HN 0.281 nan 8.250 nan 0.000 0.442 426 A N 1.543 124.404 122.820 0.070 0.000 1.898 426 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 426 A C 2.073 179.735 177.584 0.130 0.000 1.181 426 A CA 1.605 53.713 52.037 0.119 0.000 0.620 426 A CB -0.444 18.668 19.000 0.187 0.000 0.819 426 A HN 0.414 nan 8.150 nan 0.000 0.442 427 E N 0.048 120.261 120.200 0.022 0.000 2.058 427 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 427 E C 2.084 178.682 176.600 -0.003 0.000 0.997 427 E CA 1.678 58.034 56.400 -0.073 0.000 0.801 427 E CB -0.171 29.287 29.700 -0.403 0.000 0.746 427 E HN 0.633 nan 8.360 nan 0.000 0.450 428 K N 0.647 121.030 120.400 -0.028 0.000 2.026 428 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 428 K C 2.142 178.745 176.600 0.006 0.000 1.048 428 K CA 1.516 57.786 56.287 -0.028 0.000 0.929 428 K CB 0.031 32.504 32.500 -0.044 0.000 0.713 428 K HN -0.019 nan 8.250 nan 0.000 0.439 429 K N 0.446 120.860 120.400 0.025 0.000 2.057 429 K HA -0.164 4.156 4.320 -0.000 0.000 0.207 429 K C 2.139 178.768 176.600 0.047 0.000 1.049 429 K CA 1.315 57.622 56.287 0.033 0.000 0.931 429 K CB -0.188 32.336 32.500 0.040 0.000 0.714 429 K HN 0.115 nan 8.250 nan 0.000 0.440 430 L N 0.861 122.132 121.223 0.080 0.000 2.056 430 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 430 L C 2.149 179.068 176.870 0.082 0.000 1.078 430 L CA 1.729 56.624 54.840 0.092 0.000 0.749 430 L CB -0.662 41.489 42.059 0.154 0.000 0.901 430 L HN 0.098 nan 8.230 nan 0.000 0.433 431 A N -0.685 122.183 122.820 0.080 0.000 1.902 431 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 431 A C 2.166 179.779 177.584 0.049 0.000 1.181 431 A CA 1.876 53.953 52.037 0.068 0.000 0.623 431 A CB -0.629 18.395 19.000 0.042 0.000 0.818 431 A HN 0.621 nan 8.150 nan 0.000 0.443 432 E N -0.538 119.678 120.200 0.027 0.000 2.072 432 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 432 E C 2.094 178.706 176.600 0.018 0.000 0.985 432 E CA 1.246 57.654 56.400 0.014 0.000 0.801 432 E CB -0.140 29.561 29.700 0.001 0.000 0.750 432 E HN 0.659 nan 8.360 nan 0.000 0.452 433 K N 0.867 121.281 120.400 0.025 0.000 2.063 433 K HA -0.144 4.176 4.320 -0.000 0.000 0.208 433 K C 2.054 178.673 176.600 0.032 0.000 1.048 433 K CA 1.247 57.547 56.287 0.020 0.000 0.928 433 K CB -0.085 32.427 32.500 0.019 0.000 0.713 433 K HN 0.079 nan 8.250 nan 0.000 0.442 434 A N 0.962 123.816 122.820 0.057 0.000 2.066 434 A HA 0.041 4.361 4.320 -0.000 0.000 0.218 434 A C 0.777 178.459 177.584 0.162 0.000 1.157 434 A CA 0.337 52.431 52.037 0.095 0.000 0.670 434 A CB -0.196 18.870 19.000 0.109 0.000 0.804 434 A HN 0.119 nan 8.150 nan 0.000 0.453 435 V N 1.652 121.625 119.914 0.099 0.000 2.644 435 V HA 0.069 4.189 4.120 -0.000 0.000 0.305 435 V C 0.373 176.488 176.094 0.036 0.000 1.053 435 V CA 0.812 63.145 62.300 0.053 0.000 1.186 435 V CB 0.484 32.301 31.823 -0.009 0.000 0.895 435 V HN 0.398 nan 8.190 nan 0.000 0.490 436 T N 5.127 119.685 114.554 0.005 0.000 2.791 436 T HA 0.425 4.775 4.350 -0.000 0.000 0.288 436 T C -0.304 174.329 174.700 -0.112 0.000 0.999 436 T CA -0.383 61.705 62.100 -0.020 0.000 0.952 436 T CB 1.378 70.293 68.868 0.080 0.000 0.938 436 T HN 0.365 nan 8.240 nan 0.000 0.444 437 V N 5.665 125.500 119.914 -0.131 0.000 2.406 437 V HA 0.264 4.384 4.120 -0.000 0.000 0.272 437 V C 0.921 176.898 176.094 -0.196 0.000 1.043 437 V CA -0.200 62.007 62.300 -0.156 0.000 0.915 437 V CB 0.907 32.646 31.823 -0.140 0.000 0.988 437 V HN 0.863 nan 8.190 nan 0.000 0.466 438 L N 3.393 124.499 121.223 -0.195 0.000 2.515 438 L HA 0.387 4.727 4.340 -0.000 0.000 0.223 438 L C 0.834 177.652 176.870 -0.086 0.000 1.079 438 L CA 0.475 55.163 54.840 -0.253 0.000 0.857 438 L CB 0.256 42.004 42.059 -0.519 0.000 1.050 438 L HN 0.570 nan 8.230 nan 0.000 0.476 439 K N 0.402 120.774 120.400 -0.047 0.000 2.557 439 K HA 0.283 4.603 4.320 -0.000 0.000 0.257 439 K C -1.579 175.015 176.600 -0.010 0.000 0.933 439 K CA -0.480 55.828 56.287 0.035 0.000 0.820 439 K CB 1.736 34.303 32.500 0.111 0.000 1.330 439 K HN -0.202 nan 8.250 nan 0.000 0.432 440 N N 2.960 121.651 118.700 -0.014 0.000 2.751 440 N HA 0.141 4.881 4.740 -0.000 0.000 0.238 440 N C -1.822 173.653 175.510 -0.058 0.000 1.351 440 N CA -0.321 52.703 53.050 -0.042 0.000 0.751 440 N CB 1.020 39.459 38.487 -0.079 0.000 1.342 440 N HN 0.575 nan 8.380 nan 0.000 0.540 441 E N 1.093 121.287 120.200 -0.010 0.000 2.301 441 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 441 E C -0.182 176.409 176.600 -0.015 0.000 1.030 441 E CA -0.295 56.097 56.400 -0.013 0.000 0.852 441 E CB 0.781 30.501 29.700 0.033 0.000 1.060 441 E HN 0.350 nan 8.360 nan 0.000 0.401 442 Q N 2.059 121.834 119.800 -0.041 0.000 2.457 442 Q HA -0.252 4.088 4.340 -0.000 0.000 0.283 442 Q C -0.700 175.368 176.000 0.114 0.000 1.234 442 Q CA 0.438 56.266 55.803 0.041 0.000 0.877 442 Q CB -1.693 27.091 28.738 0.076 0.000 1.250 442 Q HN 0.701 nan 8.270 nan 0.000 0.481 443 H N -2.979 116.124 119.070 0.055 0.000 2.713 443 H HA -0.185 4.371 4.556 -0.000 0.000 0.311 443 H C 1.090 176.473 175.328 0.091 0.000 1.175 443 H CA 1.201 57.283 56.048 0.058 0.000 1.143 443 H CB -1.695 28.099 29.762 0.053 0.000 1.434 443 H HN 0.489 nan 8.280 nan 0.000 0.418 444 T N -0.007 114.637 114.554 0.149 0.000 2.720 444 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 444 T C 1.558 176.400 174.700 0.237 0.000 1.037 444 T CA 0.917 63.143 62.100 0.211 0.000 1.144 444 T CB 0.250 69.226 68.868 0.181 0.000 0.864 444 T HN 0.226 nan 8.240 nan 0.000 0.444 445 L N 2.365 123.633 121.223 0.074 0.000 2.334 445 L HA 0.412 4.752 4.340 -0.000 0.000 0.275 445 L C -2.247 174.653 176.870 0.049 0.000 1.036 445 L CA -2.542 52.276 54.840 -0.036 0.000 0.807 445 L CB 1.272 43.223 42.059 -0.180 0.000 1.231 445 L HN -0.043 nan 8.230 nan 0.000 0.438 446 P HA 0.140 nan 4.420 nan 0.000 0.277 446 P C -0.848 176.519 177.300 0.113 0.000 1.240 446 P CA -0.466 62.613 63.100 -0.035 0.000 0.798 446 P CB 0.604 32.302 31.700 -0.004 0.000 0.979 447 F N 1.588 121.421 119.950 -0.195 0.000 2.538 447 F HA 0.136 4.663 4.527 -0.000 0.000 0.371 447 F C 1.430 177.162 175.800 -0.115 0.000 1.087 447 F CA 0.056 57.926 58.000 -0.217 0.000 1.250 447 F CB -0.187 38.445 39.000 -0.614 0.000 1.110 447 F HN 0.164 nan 8.300 nan 0.000 0.570 448 K N 4.579 125.050 120.400 0.119 0.000 2.679 448 K HA 0.259 4.579 4.320 -0.000 0.000 0.188 448 K C -2.527 174.095 176.600 0.036 0.000 1.055 448 K CA -1.467 54.877 56.287 0.094 0.000 1.006 448 K CB 0.867 33.431 32.500 0.107 0.000 1.317 448 K HN 0.294 nan 8.250 nan 0.000 0.584 449 P HA -0.003 nan 4.420 nan 0.000 0.271 449 P C -0.666 176.663 177.300 0.047 0.000 1.216 449 P CA -0.280 62.768 63.100 -0.087 0.000 0.771 449 P CB 0.737 32.308 31.700 -0.215 0.000 0.864 450 K N 2.161 122.627 120.400 0.110 0.000 2.168 450 K HA 0.202 4.522 4.320 -0.000 0.000 0.258 450 K C 0.211 176.844 176.600 0.054 0.000 1.010 450 K CA -0.846 55.484 56.287 0.073 0.000 0.929 450 K CB 0.919 33.465 32.500 0.077 0.000 0.998 450 K HN 0.286 nan 8.250 nan 0.000 0.479 451 K N 0.324 120.744 120.400 0.032 0.000 2.489 451 K HA -0.023 4.297 4.320 -0.000 0.000 0.278 451 K C 0.619 177.237 176.600 0.031 0.000 1.000 451 K CA 1.266 57.565 56.287 0.020 0.000 1.012 451 K CB -0.223 32.283 32.500 0.010 0.000 0.903 451 K HN 0.903 nan 8.250 nan 0.000 0.485 452 G N 2.086 110.903 108.800 0.028 0.000 2.176 452 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 452 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 452 G C 0.010 174.943 174.900 0.055 0.000 0.979 452 G CA 0.265 45.386 45.100 0.034 0.000 0.641 452 G HN 0.657 nan 8.290 nan 0.000 0.530 453 S N 0.282 116.029 115.700 0.079 0.000 2.566 453 S HA 0.401 4.871 4.470 -0.000 0.000 0.280 453 S C 0.802 175.473 174.600 0.119 0.000 1.343 453 S CA 0.125 58.404 58.200 0.131 0.000 1.036 453 S CB 0.520 63.853 63.200 0.221 0.000 0.866 453 S HN 0.527 nan 8.310 nan 0.000 0.526 454 R N 1.736 122.314 120.500 0.131 0.000 2.295 454 R HA 0.477 4.817 4.340 -0.000 0.000 0.324 454 R C -0.726 175.676 176.300 0.169 0.000 0.968 454 R CA -0.214 55.956 56.100 0.117 0.000 0.837 454 R CB 0.757 31.105 30.300 0.080 0.000 1.133 454 R HN 0.509 nan 8.270 nan 0.000 0.450 455 I N 4.499 125.171 120.570 0.171 0.000 2.339 455 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 455 I C -0.620 175.608 176.117 0.185 0.000 0.994 455 I CA -1.088 60.344 61.300 0.220 0.000 1.191 455 I CB 1.517 39.669 38.000 0.252 0.000 1.343 455 I HN 0.300 nan 8.210 nan 0.000 0.458 456 L N 8.658 129.998 121.223 0.195 0.000 2.265 456 L HA 0.509 4.849 4.340 -0.000 0.000 0.288 456 L C -0.544 176.447 176.870 0.202 0.000 1.058 456 L CA 0.110 55.060 54.840 0.184 0.000 0.809 456 L CB 0.683 42.854 42.059 0.187 0.000 1.179 456 L HN 0.392 nan 8.230 nan 0.000 0.429 457 I N 6.185 126.862 120.570 0.179 0.000 2.330 457 I HA 0.381 4.551 4.170 -0.000 0.000 0.289 457 I C -0.827 175.397 176.117 0.177 0.000 1.001 457 I CA -0.661 60.740 61.300 0.169 0.000 1.193 457 I CB 1.498 39.581 38.000 0.138 0.000 1.345 457 I HN 0.262 nan 8.210 nan 0.000 0.461 458 V N 5.881 125.920 119.914 0.208 0.000 2.444 458 V HA 0.888 5.008 4.120 -0.000 0.000 0.294 458 V C -0.002 176.273 176.094 0.302 0.000 1.022 458 V CA -0.348 62.126 62.300 0.290 0.000 0.850 458 V CB 1.380 33.426 31.823 0.372 0.000 0.992 458 V HN 0.871 nan 8.190 nan 0.000 0.426 459 A N 5.774 128.709 122.820 0.191 0.000 2.610 459 A HA 0.865 5.185 4.320 -0.000 0.000 0.291 459 A C -2.783 174.340 177.584 -0.767 0.000 1.086 459 A CA -1.144 50.864 52.037 -0.048 0.000 0.677 459 A CB 1.574 20.568 19.000 -0.011 0.000 1.278 459 A HN 0.477 nan 8.150 nan 0.000 0.414 460 P HA -0.022 nan 4.420 nan 0.000 0.216 460 P C -0.430 176.125 177.300 -1.243 0.000 1.153 460 P CA 1.616 63.695 63.100 -1.702 0.000 0.848 460 P CB -0.056 30.778 31.700 -1.443 0.000 0.787 461 Y N -1.871 118.186 120.300 -0.405 0.000 2.485 461 Y HA 0.257 4.807 4.550 -0.000 0.000 0.345 461 Y C 1.669 177.475 175.900 -0.158 0.000 0.998 461 Y CA -0.983 56.953 58.100 -0.274 0.000 1.059 461 Y CB 0.632 38.958 38.460 -0.223 0.000 1.234 461 Y HN -0.180 nan 8.280 nan 0.000 0.461 462 E N 0.625 120.854 120.200 0.048 0.000 2.097 462 E HA -0.239 4.111 4.350 -0.000 0.000 0.196 462 E C 1.129 177.761 176.600 0.052 0.000 1.000 462 E CA 1.965 58.379 56.400 0.024 0.000 0.804 462 E CB 0.092 29.798 29.700 0.010 0.000 0.740 462 E HN 0.765 nan 8.360 nan 0.000 0.454 463 E N 0.492 120.732 120.200 0.068 0.000 2.153 463 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 463 E C 2.115 178.786 176.600 0.118 0.000 0.988 463 E CA 0.885 57.334 56.400 0.082 0.000 0.811 463 E CB 0.021 29.752 29.700 0.053 0.000 0.746 463 E HN 0.335 nan 8.360 nan 0.000 0.466 464 Q N -0.201 119.672 119.800 0.122 0.000 2.049 464 Q HA -0.106 4.234 4.340 -0.000 0.000 0.198 464 Q C 2.472 178.529 176.000 0.096 0.000 0.971 464 Q CA 1.829 57.708 55.803 0.127 0.000 0.833 464 Q CB -0.156 28.660 28.738 0.128 0.000 0.896 464 Q HN 0.353 nan 8.270 nan 0.000 0.434 465 T N -0.885 113.707 114.554 0.063 0.000 2.833 465 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 465 T C 1.980 176.714 174.700 0.057 0.000 1.054 465 T CA 1.053 63.190 62.100 0.061 0.000 1.135 465 T CB -0.294 68.601 68.868 0.045 0.000 0.869 465 T HN 0.260 nan 8.240 nan 0.000 0.466 466 A N 1.272 124.128 122.820 0.060 0.000 1.930 466 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 466 A C 2.710 180.280 177.584 -0.022 0.000 1.175 466 A CA 1.935 53.994 52.037 0.037 0.000 0.627 466 A CB -1.237 17.833 19.000 0.116 0.000 0.815 466 A HN 0.545 nan 8.150 nan 0.000 0.443 467 S N -0.420 115.325 115.700 0.075 0.000 2.368 467 S HA -0.106 4.363 4.470 -0.000 0.000 0.224 467 S C 1.904 176.576 174.600 0.120 0.000 1.029 467 S CA 1.373 59.650 58.200 0.128 0.000 0.988 467 S CB -0.515 62.839 63.200 0.257 0.000 0.838 467 S HN 0.485 nan 8.310 nan 0.000 0.462 468 I N 1.347 121.977 120.570 0.100 0.000 2.179 468 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 468 I C 2.692 178.850 176.117 0.069 0.000 1.088 468 I CA 1.729 63.088 61.300 0.098 0.000 1.357 468 I CB -0.453 37.611 38.000 0.108 0.000 1.051 468 I HN 0.478 nan 8.210 nan 0.000 0.409 469 E N 0.672 120.893 120.200 0.035 0.000 2.058 469 E HA -0.274 4.076 4.350 -0.000 0.000 0.194 469 E C 2.229 178.816 176.600 -0.022 0.000 0.997 469 E CA 1.249 57.656 56.400 0.012 0.000 0.801 469 E CB 0.058 29.754 29.700 -0.007 0.000 0.746 469 E HN 0.417 nan 8.360 nan 0.000 0.450 470 Q N -0.078 119.651 119.800 -0.118 0.000 2.124 470 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 470 Q C 2.286 178.289 176.000 0.006 0.000 0.977 470 Q CA 1.815 57.511 55.803 -0.179 0.000 0.850 470 Q CB -0.475 27.891 28.738 -0.620 0.000 0.901 470 Q HN 0.342 nan 8.270 nan 0.000 0.429 471 T N 1.595 116.177 114.554 0.048 0.000 2.708 471 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 471 T C 2.039 176.724 174.700 -0.024 0.000 1.037 471 T CA 0.978 63.098 62.100 0.035 0.000 1.146 471 T CB -0.177 68.713 68.868 0.036 0.000 0.865 471 T HN 0.201 nan 8.240 nan 0.000 0.435 472 I N 0.341 120.888 120.570 -0.040 0.000 2.252 472 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 472 I C 2.488 178.534 176.117 -0.118 0.000 1.102 472 I CA 1.504 62.706 61.300 -0.163 0.000 1.385 472 I CB -0.444 37.465 38.000 -0.152 0.000 1.064 472 I HN 0.307 nan 8.210 nan 0.000 0.414 473 H N 0.948 119.952 119.070 -0.111 0.000 2.353 473 H HA -0.279 4.277 4.556 -0.000 0.000 0.298 473 H C 1.880 177.158 175.328 -0.083 0.000 1.103 473 H CA 2.414 58.408 56.048 -0.090 0.000 1.293 473 H CB -0.115 29.602 29.762 -0.075 0.000 1.372 473 H HN 0.333 nan 8.280 nan 0.000 0.501 474 D N -0.441 119.954 120.400 -0.010 0.000 2.144 474 D HA -0.123 4.517 4.640 -0.000 0.000 0.200 474 D C 2.256 178.484 176.300 -0.120 0.000 0.978 474 D CA 1.071 55.043 54.000 -0.047 0.000 0.833 474 D CB -0.203 40.608 40.800 0.020 0.000 0.961 474 D HN 0.484 nan 8.370 nan 0.000 0.470 475 L N 0.047 121.185 121.223 -0.141 0.000 2.083 475 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 475 L C 2.511 179.270 176.870 -0.184 0.000 1.083 475 L CA 0.722 55.463 54.840 -0.165 0.000 0.752 475 L CB -0.354 41.567 42.059 -0.230 0.000 0.899 475 L HN 0.179 nan 8.230 nan 0.000 0.433 476 I N -0.204 120.228 120.570 -0.229 0.000 2.202 476 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 476 I C 2.694 178.685 176.117 -0.209 0.000 1.091 476 I CA 1.329 62.497 61.300 -0.220 0.000 1.368 476 I CB -0.310 37.542 38.000 -0.247 0.000 1.058 476 I HN 0.220 nan 8.210 nan 0.000 0.410 477 K N 1.303 121.538 120.400 -0.274 0.000 2.097 477 K HA -0.144 4.176 4.320 -0.000 0.000 0.206 477 K C 1.964 178.491 176.600 -0.121 0.000 1.049 477 K CA 1.405 57.563 56.287 -0.215 0.000 0.933 477 K CB 0.025 32.383 32.500 -0.237 0.000 0.717 477 K HN 0.223 nan 8.250 nan 0.000 0.442 478 R N 0.451 120.887 120.500 -0.107 0.000 2.320 478 R HA 0.080 4.420 4.340 -0.000 0.000 0.211 478 R C -0.244 176.017 176.300 -0.066 0.000 0.931 478 R CA 0.113 56.171 56.100 -0.070 0.000 1.071 478 R CB 0.344 30.609 30.300 -0.058 0.000 1.025 478 R HN 0.083 nan 8.270 nan 0.000 0.495 479 K N 0.198 120.550 120.400 -0.081 0.000 3.129 479 K HA -0.188 4.132 4.320 -0.000 0.000 0.273 479 K C 0.125 176.690 176.600 -0.058 0.000 1.123 479 K CA 0.694 56.942 56.287 -0.066 0.000 0.800 479 K CB -1.012 31.459 32.500 -0.047 0.000 1.238 479 K HN 0.165 nan 8.250 nan 0.000 0.492 480 K N 0.192 120.549 120.400 -0.072 0.000 2.284 480 K HA 0.199 4.519 4.320 -0.000 0.000 0.198 480 K C 1.530 178.093 176.600 -0.060 0.000 1.048 480 K CA 0.818 57.071 56.287 -0.057 0.000 0.987 480 K CB 0.224 32.688 32.500 -0.060 0.000 0.800 480 K HN 0.670 nan 8.250 nan 0.000 0.486 481 I N -2.406 118.105 120.570 -0.098 0.000 3.145 481 I HA 0.424 4.594 4.170 -0.000 0.000 0.313 481 I C -0.637 175.425 176.117 -0.092 0.000 1.122 481 I CA -1.244 59.998 61.300 -0.098 0.000 0.987 481 I CB 1.770 39.659 38.000 -0.186 0.000 1.236 481 I HN -0.377 nan 8.210 nan 0.000 0.453 482 K N 1.863 122.224 120.400 -0.065 0.000 2.219 482 K HA 0.376 4.696 4.320 -0.000 0.000 0.258 482 K C -2.478 174.081 176.600 -0.068 0.000 1.008 482 K CA -1.477 54.779 56.287 -0.050 0.000 0.928 482 K CB -0.033 32.455 32.500 -0.020 0.000 0.983 482 K HN 0.405 nan 8.250 nan 0.000 0.484 483 P HA 0.000 nan 4.420 nan 0.000 0.267 483 P C -0.624 176.657 177.300 -0.031 0.000 1.205 483 P CA -0.152 62.916 63.100 -0.053 0.000 0.765 483 P CB 0.554 32.232 31.700 -0.037 0.000 0.828 484 V N 0.049 119.943 119.914 -0.033 0.000 3.078 484 V HA 0.787 4.907 4.120 -0.000 0.000 0.311 484 V C -0.319 175.784 176.094 0.016 0.000 1.138 484 V CA -1.123 61.177 62.300 0.001 0.000 1.007 484 V CB 1.942 33.763 31.823 -0.003 0.000 1.045 484 V HN 0.519 nan 8.190 nan 0.000 0.432 485 S N 2.669 118.392 115.700 0.039 0.000 2.585 485 S HA 0.842 5.312 4.470 -0.000 0.000 0.277 485 S C -0.596 174.042 174.600 0.063 0.000 1.241 485 S CA -0.727 57.501 58.200 0.046 0.000 1.041 485 S CB 1.089 64.316 63.200 0.045 0.000 0.987 485 S HN 0.826 nan 8.310 nan 0.000 0.512 486 L N 2.379 123.639 121.223 0.062 0.000 2.365 486 L HA 0.702 5.042 4.340 -0.000 0.000 0.273 486 L C -0.143 176.771 176.870 0.072 0.000 1.000 486 L CA -0.602 54.283 54.840 0.075 0.000 0.819 486 L CB 2.294 44.393 42.059 0.067 0.000 1.284 486 L HN 0.989 nan 8.230 nan 0.000 0.418 487 S N 1.383 117.135 115.700 0.088 0.000 2.569 487 S HA 0.709 5.179 4.470 -0.000 0.000 0.280 487 S C -1.030 173.629 174.600 0.099 0.000 1.111 487 S CA -1.095 57.154 58.200 0.083 0.000 0.887 487 S CB 2.561 65.810 63.200 0.082 0.000 1.095 487 S HN 0.536 nan 8.310 nan 0.000 0.476 488 K N 0.965 121.418 120.400 0.089 0.000 2.318 488 K HA 0.576 4.896 4.320 -0.000 0.000 0.249 488 K C -1.262 175.403 176.600 0.108 0.000 0.942 488 K CA -0.592 55.751 56.287 0.094 0.000 0.808 488 K CB 2.203 34.741 32.500 0.064 0.000 1.189 488 K HN 0.750 nan 8.250 nan 0.000 0.428 489 M N 3.170 122.846 119.600 0.127 0.000 2.106 489 M HA 0.312 4.792 4.480 -0.000 0.000 0.288 489 M C -1.697 174.646 176.300 0.073 0.000 0.941 489 M CA -0.594 54.793 55.300 0.145 0.000 0.934 489 M CB 1.035 33.781 32.600 0.243 0.000 1.551 489 M HN 0.478 nan 8.290 nan 0.000 0.437 490 N N 5.783 124.468 118.700 -0.026 0.000 2.426 490 N HA 0.295 5.034 4.740 -0.000 0.000 0.257 490 N C -0.330 174.986 175.510 -0.323 0.000 1.002 490 N CA -0.174 52.761 53.050 -0.192 0.000 0.942 490 N CB 0.809 39.200 38.487 -0.161 0.000 1.112 490 N HN 0.724 nan 8.380 nan 0.000 0.499 491 F N -0.393 119.215 119.950 -0.570 0.000 2.682 491 F HA 0.522 5.049 4.527 -0.000 0.000 0.308 491 F C 0.783 176.025 175.800 -0.930 0.000 1.093 491 F CA -1.107 56.319 58.000 -0.958 0.000 1.244 491 F CB -0.205 37.754 39.000 -1.735 0.000 1.052 491 F HN 0.265 nan 8.300 nan 0.000 0.573 492 A N 0.603 122.696 122.820 -1.212 0.000 2.546 492 A HA 0.368 4.688 4.320 -0.000 0.000 0.243 492 A C 1.423 178.247 177.584 -1.266 0.000 1.063 492 A CA 0.750 51.672 52.037 -1.858 0.000 0.757 492 A CB -0.502 17.527 19.000 -1.618 0.000 0.991 492 A HN 0.732 nan 8.150 nan 0.000 0.503 493 S N -0.259 114.408 115.700 -1.721 0.000 3.380 493 S HA -0.136 4.334 4.470 -0.000 0.000 0.300 493 S C 0.288 174.765 174.600 -0.205 0.000 1.255 493 S CA 1.582 59.395 58.200 -0.645 0.000 0.963 493 S CB -1.291 61.701 63.200 -0.348 0.000 1.106 493 S HN 0.878 nan 8.310 nan 0.000 0.629 494 Q N 0.230 119.939 119.800 -0.152 0.000 2.248 494 Q HA 0.698 5.038 4.340 -0.000 0.000 0.263 494 Q C 0.228 176.453 176.000 0.375 0.000 1.007 494 Q CA -0.557 55.300 55.803 0.090 0.000 0.877 494 Q CB 1.679 30.413 28.738 -0.006 0.000 1.315 494 Q HN 0.406 nan 8.270 nan 0.000 0.454 495 V N 0.829 120.982 119.914 0.398 0.000 2.532 495 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 495 V C -0.829 175.574 176.094 0.515 0.000 1.041 495 V CA -0.810 61.746 62.300 0.427 0.000 0.926 495 V CB 1.067 33.047 31.823 0.262 0.000 0.992 495 V HN 0.666 nan 8.190 nan 0.000 0.457 496 F N 6.273 126.306 119.950 0.138 0.000 2.506 496 F HA 0.498 5.025 4.527 -0.000 0.000 0.371 496 F C 0.436 176.324 175.800 0.147 0.000 1.078 496 F CA 0.303 58.240 58.000 -0.104 0.000 1.195 496 F CB 0.229 38.887 39.000 -0.570 0.000 1.099 496 F HN 0.638 nan 8.300 nan 0.000 0.548 497 K N 3.073 123.414 120.400 -0.099 0.000 2.346 497 K HA 0.334 4.654 4.320 -0.000 0.000 0.238 497 K C 1.038 177.388 176.600 -0.416 0.000 1.039 497 K CA -0.749 55.411 56.287 -0.211 0.000 0.861 497 K CB 1.466 33.840 32.500 -0.210 0.000 1.278 497 K HN 0.462 nan 8.250 nan 0.000 0.460 498 T N 1.105 115.512 114.554 -0.245 0.000 2.759 498 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 498 T C 1.187 175.734 174.700 -0.254 0.000 1.042 498 T CA 1.698 63.678 62.100 -0.200 0.000 1.140 498 T CB -0.215 68.587 68.868 -0.110 0.000 0.864 498 T HN 0.550 nan 8.240 nan 0.000 0.455 499 E N 0.574 120.581 120.200 -0.322 0.000 2.097 499 E HA -0.208 4.142 4.350 -0.000 0.000 0.196 499 E C 2.044 178.459 176.600 -0.308 0.000 1.000 499 E CA 1.586 57.792 56.400 -0.323 0.000 0.804 499 E CB -0.300 29.146 29.700 -0.423 0.000 0.740 499 E HN 0.723 nan 8.360 nan 0.000 0.454 500 H N -0.020 118.871 119.070 -0.297 0.000 2.395 500 H HA -0.018 4.538 4.556 -0.000 0.000 0.299 500 H C 2.107 177.258 175.328 -0.295 0.000 1.070 500 H CA 1.057 56.915 56.048 -0.317 0.000 1.356 500 H CB 0.100 29.519 29.762 -0.571 0.000 1.401 500 H HN 0.141 nan 8.280 nan 0.000 0.524 501 E N 1.403 121.405 120.200 -0.330 0.000 2.110 501 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 501 E C 2.134 178.715 176.600 -0.031 0.000 0.988 501 E CA 0.969 57.351 56.400 -0.030 0.000 0.804 501 E CB 0.109 29.818 29.700 0.014 0.000 0.745 501 E HN 0.332 nan 8.360 nan 0.000 0.458 502 K N 0.261 120.614 120.400 -0.078 0.000 2.057 502 K HA -0.213 4.107 4.320 -0.000 0.000 0.207 502 K C 2.170 178.747 176.600 -0.039 0.000 1.049 502 K CA 1.628 57.872 56.287 -0.071 0.000 0.931 502 K CB 0.034 32.490 32.500 -0.073 0.000 0.714 502 K HN 0.160 nan 8.250 nan 0.000 0.440 503 Q N 0.014 119.815 119.800 0.003 0.000 2.124 503 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 503 Q C 2.112 178.151 176.000 0.065 0.000 0.977 503 Q CA 1.514 57.347 55.803 0.050 0.000 0.850 503 Q CB 0.058 28.860 28.738 0.108 0.000 0.901 503 Q HN 0.151 nan 8.270 nan 0.000 0.429 504 V N 1.354 121.319 119.914 0.086 0.000 2.295 504 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 504 V C 2.045 178.134 176.094 -0.008 0.000 1.049 504 V CA 1.763 64.122 62.300 0.097 0.000 1.024 504 V CB -0.425 31.499 31.823 0.168 0.000 0.648 504 V HN 0.296 nan 8.190 nan 0.000 0.447 505 K N -0.189 120.134 120.400 -0.128 0.000 2.147 505 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 505 K C 2.022 178.547 176.600 -0.124 0.000 1.049 505 K CA 1.561 57.686 56.287 -0.270 0.000 0.936 505 K CB -0.141 32.125 32.500 -0.390 0.000 0.722 505 K HN 0.572 nan 8.250 nan 0.000 0.446 506 E N 0.340 120.503 120.200 -0.062 0.000 2.371 506 E HA 0.024 4.374 4.350 -0.000 0.000 0.194 506 E C 0.225 176.824 176.600 -0.002 0.000 1.012 506 E CA -0.178 56.206 56.400 -0.027 0.000 0.860 506 E CB 0.316 30.011 29.700 -0.010 0.000 0.811 506 E HN 0.214 nan 8.360 nan 0.000 0.502 507 A N 1.152 123.979 122.820 0.012 0.000 2.322 507 A HA 0.073 4.393 4.320 -0.000 0.000 0.269 507 A C 0.360 177.936 177.584 -0.014 0.000 1.094 507 A CA -0.353 51.705 52.037 0.035 0.000 0.807 507 A CB 0.469 19.517 19.000 0.080 0.000 1.047 507 A HN -0.017 nan 8.150 nan 0.000 0.487 508 D N -0.955 119.437 120.400 -0.013 0.000 2.338 508 D HA 0.130 4.770 4.640 -0.000 0.000 0.208 508 D C -0.762 175.242 176.300 -0.492 0.000 0.997 508 D CA 1.481 55.379 54.000 -0.170 0.000 0.880 508 D CB 0.219 40.995 40.800 -0.039 0.000 0.980 508 D HN 0.563 nan 8.370 nan 0.000 0.509 509 Y N -0.364 119.876 120.300 -0.101 0.000 2.504 509 Y HA 0.467 5.017 4.550 -0.000 0.000 0.344 509 Y C -0.507 175.389 175.900 -0.008 0.000 1.023 509 Y CA -0.847 57.107 58.100 -0.244 0.000 1.020 509 Y CB 2.105 40.294 38.460 -0.452 0.000 1.282 509 Y HN -0.340 nan 8.280 nan 0.000 0.454 510 I N 4.422 125.124 120.570 0.219 0.000 2.466 510 I HA 0.459 4.629 4.170 -0.000 0.000 0.289 510 I C -1.050 175.207 176.117 0.234 0.000 1.026 510 I CA -0.502 60.965 61.300 0.279 0.000 1.078 510 I CB 1.819 40.041 38.000 0.370 0.000 1.249 510 I HN 0.425 nan 8.210 nan 0.000 0.429 511 I N 5.323 126.000 120.570 0.179 0.000 2.355 511 I HA 0.377 4.547 4.170 -0.000 0.000 0.288 511 I C -0.438 175.680 176.117 0.001 0.000 0.999 511 I CA -0.174 61.140 61.300 0.024 0.000 1.163 511 I CB 1.790 39.843 38.000 0.089 0.000 1.316 511 I HN 0.494 nan 8.210 nan 0.000 0.454 512 T N 4.489 118.948 114.554 -0.158 0.000 2.812 512 T HA 0.503 4.853 4.350 -0.000 0.000 0.282 512 T C 0.168 174.857 174.700 -0.018 0.000 0.990 512 T CA -0.630 61.475 62.100 0.009 0.000 0.960 512 T CB 1.664 70.588 68.868 0.094 0.000 0.948 512 T HN 0.728 nan 8.240 nan 0.000 0.438 513 G N 1.227 110.106 108.800 0.132 0.000 2.348 513 G HA2 0.523 4.483 3.960 -0.000 0.000 0.312 513 G HA3 0.523 4.483 3.960 -0.000 0.000 0.312 513 G C -0.501 174.566 174.900 0.278 0.000 1.126 513 G CA -0.422 44.758 45.100 0.133 0.000 0.865 513 G HN 0.654 nan 8.290 nan 0.000 0.474 514 S N 0.827 116.654 115.700 0.211 0.000 2.501 514 S HA 0.633 5.103 4.470 -0.000 0.000 0.301 514 S C -1.484 173.310 174.600 0.325 0.000 1.096 514 S CA -0.694 57.710 58.200 0.340 0.000 1.063 514 S CB 1.138 64.503 63.200 0.274 0.000 1.042 514 S HN 0.600 nan 8.310 nan 0.000 0.494 515 Y N 5.245 125.673 120.300 0.214 0.000 2.329 515 Y HA 0.585 5.135 4.550 -0.000 0.000 0.328 515 Y C -0.908 175.030 175.900 0.064 0.000 0.992 515 Y CA -0.661 57.513 58.100 0.123 0.000 1.151 515 Y CB 1.250 39.776 38.460 0.109 0.000 1.150 515 Y HN 0.641 nan 8.280 nan 0.000 0.450 516 V N 4.286 123.995 119.914 -0.343 0.000 2.925 516 V HA 0.702 4.822 4.120 -0.000 0.000 0.311 516 V C -1.039 174.814 176.094 -0.401 0.000 1.104 516 V CA -0.533 61.589 62.300 -0.296 0.000 0.954 516 V CB 1.134 32.918 31.823 -0.065 0.000 1.022 516 V HN 0.606 nan 8.190 nan 0.000 0.427 517 V N 1.937 121.690 119.914 -0.268 0.000 2.804 517 V HA 0.285 4.405 4.120 -0.000 0.000 0.218 517 V C 1.083 177.169 176.094 -0.013 0.000 1.159 517 V CA 0.787 63.008 62.300 -0.132 0.000 1.223 517 V CB -0.131 31.636 31.823 -0.094 0.000 0.917 517 V HN 0.983 nan 8.190 nan 0.000 0.510 518 K N 2.171 122.559 120.400 -0.021 0.000 2.297 518 K HA 0.123 4.443 4.320 -0.000 0.000 0.286 518 K C -0.406 176.181 176.600 -0.022 0.000 1.053 518 K CA -0.149 56.129 56.287 -0.015 0.000 0.940 518 K CB 0.272 32.756 32.500 -0.026 0.000 1.019 518 K HN 0.358 nan 8.250 nan 0.000 0.475 519 N N 3.499 122.199 118.700 0.000 0.000 2.406 519 N HA 0.036 4.776 4.740 -0.000 0.000 0.251 519 N C -1.479 174.012 175.510 -0.033 0.000 1.069 519 N CA -0.444 52.607 53.050 0.002 0.000 0.947 519 N CB 0.816 39.341 38.487 0.064 0.000 1.111 519 N HN 0.527 nan 8.380 nan 0.000 0.497 520 D N 2.084 122.453 120.400 -0.052 0.000 2.945 520 D HA 0.235 4.875 4.640 -0.000 0.000 0.366 520 D C -2.449 173.811 176.300 -0.067 0.000 1.352 520 D CA -1.294 52.671 54.000 -0.058 0.000 0.810 520 D CB -0.014 40.751 40.800 -0.058 0.000 1.170 520 D HN 0.324 nan 8.370 nan 0.000 0.461 521 P HA 0.062 nan 4.420 nan 0.000 0.270 521 P C 0.011 177.270 177.300 -0.069 0.000 1.223 521 P CA -0.414 62.636 63.100 -0.082 0.000 0.785 521 P CB 1.277 32.914 31.700 -0.105 0.000 0.923 522 V N 2.480 122.355 119.914 -0.064 0.000 2.455 522 V HA 0.216 4.336 4.120 -0.000 0.000 0.273 522 V C 0.651 176.711 176.094 -0.057 0.000 1.045 522 V CA -0.117 62.152 62.300 -0.052 0.000 0.976 522 V CB 1.052 32.850 31.823 -0.042 0.000 0.993 522 V HN 0.457 nan 8.190 nan 0.000 0.475 523 V N 6.179 126.063 119.914 -0.051 0.000 2.760 523 V HA 0.631 4.751 4.120 -0.000 0.000 0.309 523 V C -0.975 175.093 176.094 -0.043 0.000 1.077 523 V CA -0.498 61.770 62.300 -0.053 0.000 0.910 523 V CB 2.345 34.133 31.823 -0.058 0.000 1.008 523 V HN 0.937 nan 8.190 nan 0.000 0.424 524 N N 4.207 122.882 118.700 -0.042 0.000 2.410 524 N HA 0.346 5.086 4.740 -0.000 0.000 0.287 524 N C -1.094 174.395 175.510 -0.035 0.000 1.044 524 N CA -0.374 52.655 53.050 -0.035 0.000 0.881 524 N CB 1.783 40.252 38.487 -0.031 0.000 1.405 524 N HN 0.789 nan 8.380 nan 0.000 0.490 525 D N 1.467 121.848 120.400 -0.033 0.000 2.686 525 D HA -0.168 4.472 4.640 -0.000 0.000 0.235 525 D C 1.150 177.429 176.300 -0.036 0.000 1.160 525 D CA 1.895 55.876 54.000 -0.032 0.000 0.645 525 D CB -1.106 39.677 40.800 -0.029 0.000 1.039 525 D HN 1.031 nan 8.370 nan 0.000 0.423 526 G N -2.429 106.346 108.800 -0.041 0.000 2.179 526 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.260 526 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.260 526 G C 0.370 175.239 174.900 -0.051 0.000 0.977 526 G CA 0.208 45.281 45.100 -0.046 0.000 0.641 526 G HN 0.693 nan 8.290 nan 0.000 0.533 527 V N 2.280 122.164 119.914 -0.050 0.000 2.347 527 V HA 0.481 4.601 4.120 -0.000 0.000 0.280 527 V C 0.958 177.014 176.094 -0.062 0.000 1.021 527 V CA -0.813 61.454 62.300 -0.055 0.000 0.847 527 V CB 1.419 33.214 31.823 -0.048 0.000 0.990 527 V HN 0.329 nan 8.190 nan 0.000 0.444 528 I N 3.764 124.288 120.570 -0.077 0.000 2.618 528 I HA 0.076 4.246 4.170 -0.000 0.000 0.284 528 I C 0.523 176.592 176.117 -0.081 0.000 1.146 528 I CA 0.150 61.396 61.300 -0.089 0.000 1.425 528 I CB 0.427 38.353 38.000 -0.123 0.000 1.383 528 I HN 0.560 nan 8.210 nan 0.000 0.562 529 D N 5.995 126.353 120.400 -0.070 0.000 2.352 529 D HA 0.050 4.690 4.640 -0.000 0.000 0.245 529 D C 0.157 176.419 176.300 -0.063 0.000 1.224 529 D CA -0.014 53.952 54.000 -0.057 0.000 0.879 529 D CB 0.592 41.367 40.800 -0.043 0.000 1.057 529 D HN 0.363 nan 8.370 nan 0.000 0.491 530 D N 1.876 122.235 120.400 -0.067 0.000 2.340 530 D HA -0.041 4.599 4.640 -0.000 0.000 0.217 530 D C 1.533 177.802 176.300 -0.051 0.000 1.081 530 D CA 0.325 54.279 54.000 -0.077 0.000 0.842 530 D CB 0.447 41.186 40.800 -0.101 0.000 0.934 530 D HN 0.499 nan 8.370 nan 0.000 0.511 531 T N -1.944 112.590 114.554 -0.033 0.000 3.100 531 T HA 0.137 4.487 4.350 -0.000 0.000 0.253 531 T C 1.117 175.817 174.700 0.001 0.000 1.118 531 T CA -0.252 61.839 62.100 -0.016 0.000 1.058 531 T CB -0.044 68.815 68.868 -0.014 0.000 0.953 531 T HN -0.023 nan 8.240 nan 0.000 0.515 532 I N 3.493 124.064 120.570 0.002 0.000 2.668 532 I HA 0.036 4.206 4.170 -0.000 0.000 0.285 532 I C 1.095 177.240 176.117 0.046 0.000 1.168 532 I CA 0.080 61.394 61.300 0.024 0.000 1.424 532 I CB 0.781 38.795 38.000 0.024 0.000 1.377 532 I HN 0.360 nan 8.210 nan 0.000 0.560 533 S N 2.111 117.846 115.700 0.059 0.000 2.730 533 S HA 0.209 4.679 4.470 -0.000 0.000 0.244 533 S C -0.176 174.482 174.600 0.097 0.000 1.022 533 S CA -0.723 57.523 58.200 0.077 0.000 1.014 533 S CB -0.260 62.976 63.200 0.060 0.000 0.963 533 S HN 0.722 nan 8.310 nan 0.000 0.540 534 D N 1.560 122.023 120.400 0.104 0.000 2.624 534 D HA 0.463 5.103 4.640 -0.000 0.000 0.257 534 D C 0.781 177.186 176.300 0.174 0.000 1.167 534 D CA -0.219 53.855 54.000 0.124 0.000 1.086 534 D CB 0.208 41.067 40.800 0.099 0.000 1.210 534 D HN 0.106 nan 8.370 nan 0.000 0.631 535 S N -1.834 113.982 115.700 0.194 0.000 2.554 535 S HA 0.078 4.548 4.470 -0.000 0.000 0.226 535 S C 1.320 176.113 174.600 0.323 0.000 0.980 535 S CA 0.247 58.615 58.200 0.281 0.000 0.939 535 S CB -0.768 62.576 63.200 0.241 0.000 0.832 535 S HN 0.459 nan 8.310 nan 0.000 0.486 536 S N 1.586 117.412 115.700 0.209 0.000 2.474 536 S HA 0.145 4.615 4.470 -0.000 0.000 0.235 536 S C 1.064 175.730 174.600 0.111 0.000 0.997 536 S CA 0.259 58.557 58.200 0.163 0.000 0.949 536 S CB -0.262 62.996 63.200 0.097 0.000 0.766 536 S HN 0.333 nan 8.310 nan 0.000 0.517 537 K N 0.979 121.443 120.400 0.107 0.000 2.972 537 K HA 0.167 4.487 4.320 -0.000 0.000 0.209 537 K C 0.890 177.491 176.600 0.001 0.000 1.128 537 K CA -0.213 56.066 56.287 -0.013 0.000 1.024 537 K CB -0.160 32.337 32.500 -0.005 0.000 0.754 537 K HN 0.673 nan 8.250 nan 0.000 0.454 538 W N 0.064 121.455 121.300 0.151 0.000 2.350 538 W HA -0.173 4.487 4.660 -0.000 0.000 0.289 538 W C 1.030 177.711 176.519 0.270 0.000 1.215 538 W CA 1.012 58.493 57.345 0.228 0.000 1.236 538 W CB -0.846 28.752 29.460 0.230 0.000 1.130 538 W HN 0.057 nan 8.180 nan 0.000 0.541 539 A N 1.447 123.932 122.820 -0.559 0.000 2.070 539 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 539 A C 2.103 179.710 177.584 0.038 0.000 1.159 539 A CA 2.862 54.664 52.037 -0.392 0.000 0.656 539 A CB -0.986 17.549 19.000 -0.776 0.000 0.800 539 A HN 0.496 nan 8.150 nan 0.000 0.453 540 T N -5.121 109.427 114.554 -0.011 0.000 3.056 540 T HA 0.098 4.448 4.350 -0.000 0.000 0.243 540 T C 1.630 176.330 174.700 0.001 0.000 0.995 540 T CA 0.854 62.950 62.100 -0.006 0.000 1.091 540 T CB -0.468 68.344 68.868 -0.092 0.000 0.990 540 T HN -0.026 nan 8.240 nan 0.000 0.464 541 V N 1.074 121.005 119.914 0.028 0.000 2.295 541 V HA -0.000 4.120 4.120 -0.000 0.000 0.246 541 V C 2.224 178.312 176.094 -0.010 0.000 1.049 541 V CA 1.836 64.138 62.300 0.004 0.000 1.024 541 V CB -0.919 30.935 31.823 0.052 0.000 0.648 541 V HN 0.404 nan 8.190 nan 0.000 0.447 542 F N 2.143 122.068 119.950 -0.043 0.000 2.075 542 F HA -0.045 4.482 4.527 -0.000 0.000 0.297 542 F C 0.055 175.641 175.800 -0.356 0.000 1.113 542 F CA 1.808 59.701 58.000 -0.177 0.000 1.218 542 F CB -1.441 37.456 39.000 -0.172 0.000 0.984 542 F HN 0.222 nan 8.300 nan 0.000 0.472 543 P HA -0.155 nan 4.420 nan 0.000 0.218 543 P C 1.352 178.765 177.300 0.189 0.000 1.149 543 P CA 1.615 64.743 63.100 0.045 0.000 0.817 543 P CB -0.251 31.591 31.700 0.237 0.000 0.785 544 R N -0.075 120.499 120.500 0.124 0.000 2.096 544 R HA -0.025 4.315 4.340 -0.000 0.000 0.235 544 R C 2.446 178.598 176.300 -0.246 0.000 1.127 544 R CA 1.454 57.545 56.100 -0.014 0.000 0.968 544 R CB -0.828 29.377 30.300 -0.158 0.000 0.861 544 R HN 0.145 nan 8.270 nan 0.000 0.440 545 A N 0.516 123.059 122.820 -0.462 0.000 1.930 545 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 545 A C 2.300 179.278 177.584 -1.011 0.000 1.175 545 A CA 1.182 52.685 52.037 -0.890 0.000 0.627 545 A CB -0.397 17.757 19.000 -1.410 0.000 0.815 545 A HN 0.106 nan 8.150 nan 0.000 0.443 546 V N 0.029 119.514 119.914 -0.714 0.000 2.295 546 V HA -0.334 3.786 4.120 -0.000 0.000 0.246 546 V C 2.600 178.503 176.094 -0.319 0.000 1.049 546 V CA 2.312 64.448 62.300 -0.273 0.000 1.024 546 V CB -0.740 31.137 31.823 0.090 0.000 0.648 546 V HN 0.743 nan 8.190 nan 0.000 0.447 547 M N 0.006 119.329 119.600 -0.462 0.000 2.080 547 M HA -0.264 4.216 4.480 -0.000 0.000 0.260 547 M C 2.343 178.314 176.300 -0.549 0.000 1.068 547 M CA 2.311 57.045 55.300 -0.943 0.000 1.109 547 M CB -0.296 31.977 32.600 -0.545 0.000 1.342 547 M HN 0.266 nan 8.290 nan 0.000 0.405 548 K N 0.040 120.227 120.400 -0.356 0.000 2.026 548 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 548 K C 1.821 178.307 176.600 -0.188 0.000 1.048 548 K CA 1.601 57.738 56.287 -0.250 0.000 0.929 548 K CB -0.232 32.127 32.500 -0.235 0.000 0.713 548 K HN 0.467 nan 8.250 nan 0.000 0.439 549 A N 0.909 123.632 122.820 -0.161 0.000 1.898 549 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 549 A C 2.308 179.953 177.584 0.102 0.000 1.181 549 A CA 1.762 53.828 52.037 0.049 0.000 0.620 549 A CB -0.757 18.352 19.000 0.183 0.000 0.819 549 A HN 0.488 nan 8.150 nan 0.000 0.442 550 A N -0.186 122.609 122.820 -0.041 0.000 1.902 550 A HA -0.036 4.284 4.320 -0.000 0.000 0.217 550 A C 2.165 179.733 177.584 -0.027 0.000 1.181 550 A CA 1.506 53.538 52.037 -0.008 0.000 0.623 550 A CB -0.604 18.344 19.000 -0.087 0.000 0.818 550 A HN 0.467 nan 8.150 nan 0.000 0.443 551 L N -0.963 120.184 121.223 -0.127 0.000 2.093 551 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 551 L C 2.851 179.670 176.870 -0.085 0.000 1.085 551 L CA 1.458 56.244 54.840 -0.090 0.000 0.755 551 L CB -0.594 41.395 42.059 -0.116 0.000 0.904 551 L HN 0.468 nan 8.230 nan 0.000 0.435 552 Q N -0.678 119.045 119.800 -0.129 0.000 2.170 552 Q HA -0.202 4.138 4.340 -0.000 0.000 0.203 552 Q C 1.189 176.994 176.000 -0.326 0.000 0.976 552 Q CA 1.457 57.114 55.803 -0.243 0.000 0.858 552 Q CB -0.043 28.489 28.738 -0.343 0.000 0.907 552 Q HN 0.626 nan 8.270 nan 0.000 0.433 553 H N -0.416 118.638 119.070 -0.028 0.000 2.505 553 H HA 0.175 4.731 4.556 -0.000 0.000 0.289 553 H C -0.295 175.017 175.328 -0.027 0.000 1.052 553 H CA -0.330 55.706 56.048 -0.020 0.000 1.156 553 H CB 0.347 30.105 29.762 -0.008 0.000 1.507 553 H HN 0.142 nan 8.280 nan 0.000 0.548 554 N N 1.847 120.567 118.700 0.033 0.000 2.727 554 N HA -0.173 4.567 4.740 -0.000 0.000 0.249 554 N C -1.050 174.461 175.510 0.001 0.000 1.048 554 N CA 0.480 53.536 53.050 0.011 0.000 0.714 554 N CB -0.461 38.027 38.487 0.001 0.000 0.959 554 N HN 0.313 nan 8.380 nan 0.000 0.544 555 K N 0.645 121.056 120.400 0.019 0.000 2.156 555 K HA 0.442 4.762 4.320 -0.000 0.000 0.271 555 K C -2.260 174.344 176.600 0.006 0.000 0.995 555 K CA -1.695 54.578 56.287 -0.024 0.000 0.890 555 K CB 0.615 33.131 32.500 0.027 0.000 1.073 555 K HN 0.031 nan 8.250 nan 0.000 0.454 556 P HA 0.044 nan 4.420 nan 0.000 0.263 556 P C -0.885 176.532 177.300 0.195 0.000 1.195 556 P CA 0.196 63.281 63.100 -0.025 0.000 0.762 556 P CB 0.095 31.557 31.700 -0.397 0.000 0.799 557 F N 4.634 124.713 119.950 0.215 0.000 2.561 557 F HA 0.568 5.095 4.527 -0.000 0.000 0.313 557 F C -1.585 174.354 175.800 0.231 0.000 1.126 557 F CA -1.016 57.124 58.000 0.232 0.000 0.918 557 F CB 1.542 40.610 39.000 0.113 0.000 1.199 557 F HN 0.137 nan 8.300 nan 0.000 0.444 558 V N 7.950 127.559 119.914 -0.508 0.000 2.656 558 V HA 0.567 4.687 4.120 -0.000 0.000 0.307 558 V C -2.015 173.564 176.094 -0.858 0.000 1.051 558 V CA -0.718 61.258 62.300 -0.540 0.000 0.893 558 V CB 1.839 33.385 31.823 -0.462 0.000 0.999 558 V HN 0.761 nan 8.190 nan 0.000 0.426 559 L N 7.662 128.516 121.223 -0.616 0.000 2.282 559 L HA 0.592 4.932 4.340 -0.000 0.000 0.288 559 L C -0.489 176.177 176.870 -0.341 0.000 1.033 559 L CA -0.269 54.254 54.840 -0.530 0.000 0.807 559 L CB 1.325 43.055 42.059 -0.550 0.000 1.209 559 L HN 0.927 nan 8.230 nan 0.000 0.423 560 M N 4.596 124.038 119.600 -0.263 0.000 2.072 560 M HA 0.201 4.681 4.480 -0.000 0.000 0.331 560 M C -0.286 175.949 176.300 -0.108 0.000 1.004 560 M CA -0.220 54.977 55.300 -0.172 0.000 0.952 560 M CB 1.304 33.830 32.600 -0.123 0.000 1.511 560 M HN 0.735 nan 8.290 nan 0.000 0.422 561 S N 4.726 120.356 115.700 -0.117 0.000 2.488 561 S HA 0.272 4.742 4.470 -0.000 0.000 0.278 561 S C 0.710 175.283 174.600 -0.046 0.000 1.259 561 S CA -0.460 57.701 58.200 -0.065 0.000 1.061 561 S CB 0.305 63.442 63.200 -0.105 0.000 0.910 561 S HN 0.886 nan 8.310 nan 0.000 0.491 562 L N 3.994 125.257 121.223 0.067 0.000 2.357 562 L HA 0.310 4.650 4.340 -0.000 0.000 0.211 562 L C 2.216 179.228 176.870 0.235 0.000 1.075 562 L CA 0.137 55.081 54.840 0.173 0.000 0.830 562 L CB -0.151 42.101 42.059 0.321 0.000 0.996 562 L HN 0.614 nan 8.230 nan 0.000 0.467 563 R N -0.321 120.254 120.500 0.124 0.000 2.091 563 R HA 0.237 4.577 4.340 -0.000 0.000 0.121 563 R C -0.084 176.230 176.300 0.023 0.000 1.812 563 R CA -0.602 55.563 56.100 0.109 0.000 1.565 563 R CB 0.410 30.579 30.300 -0.218 0.000 1.305 563 R HN 0.035 nan 8.270 nan 0.000 0.467 564 N N 2.385 121.051 118.700 -0.055 0.000 2.513 564 N HA 0.077 4.816 4.740 -0.000 0.000 0.268 564 N C -1.976 173.426 175.510 -0.180 0.000 1.180 564 N CA -1.218 51.791 53.050 -0.069 0.000 0.948 564 N CB 1.169 39.703 38.487 0.078 0.000 1.083 564 N HN 0.346 nan 8.380 nan 0.000 0.455 565 P HA -0.027 nan 4.420 nan 0.000 0.245 565 P C 0.435 177.612 177.300 -0.206 0.000 1.212 565 P CA 0.704 63.628 63.100 -0.293 0.000 0.774 565 P CB 0.094 31.649 31.700 -0.242 0.000 0.999 566 Y N 2.111 122.467 120.300 0.093 0.000 2.403 566 Y HA -0.156 4.394 4.550 -0.000 0.000 0.291 566 Y C 2.105 178.063 175.900 0.097 0.000 1.143 566 Y CA 1.201 59.356 58.100 0.092 0.000 1.257 566 Y CB -1.563 36.933 38.460 0.059 0.000 0.984 566 Y HN 0.117 nan 8.280 nan 0.000 0.550 567 D N -0.082 120.437 120.400 0.198 0.000 2.350 567 D HA -0.122 4.518 4.640 -0.000 0.000 0.216 567 D C 1.948 178.443 176.300 0.326 0.000 0.968 567 D CA 0.920 55.052 54.000 0.220 0.000 0.894 567 D CB -0.580 40.366 40.800 0.243 0.000 0.909 567 D HN 0.276 nan 8.370 nan 0.000 0.520 568 A N 1.047 124.033 122.820 0.276 0.000 1.978 568 A HA 0.028 4.348 4.320 -0.000 0.000 0.220 568 A C 2.389 180.198 177.584 0.374 0.000 1.170 568 A CA 1.849 54.093 52.037 0.344 0.000 0.636 568 A CB -0.819 18.334 19.000 0.256 0.000 0.810 568 A HN 0.388 nan 8.150 nan 0.000 0.448 569 A N -0.207 122.761 122.820 0.246 0.000 2.216 569 A HA -0.062 4.258 4.320 -0.000 0.000 0.214 569 A C 1.410 178.990 177.584 -0.007 0.000 1.160 569 A CA 1.201 53.307 52.037 0.114 0.000 0.725 569 A CB -0.429 18.613 19.000 0.069 0.000 0.784 569 A HN 0.524 nan 8.150 nan 0.000 0.472 570 N N -1.048 117.591 118.700 -0.102 0.000 2.398 570 N HA 0.134 4.874 4.740 -0.000 0.000 0.188 570 N C -0.634 174.385 175.510 -0.818 0.000 1.122 570 N CA 0.484 53.225 53.050 -0.514 0.000 0.866 570 N CB 0.038 38.041 38.487 -0.807 0.000 0.970 570 N HN 0.475 nan 8.380 nan 0.000 0.462 571 F N -0.186 119.809 119.950 0.076 0.000 2.619 571 F HA 0.323 4.850 4.527 -0.000 0.000 0.382 571 F C 1.201 177.058 175.800 0.095 0.000 1.466 571 F CA -0.677 57.376 58.000 0.089 0.000 1.137 571 F CB 0.338 39.424 39.000 0.144 0.000 1.205 571 F HN -0.128 nan 8.300 nan 0.000 0.525 572 E N 0.438 120.725 120.200 0.145 0.000 2.265 572 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 572 E C 1.115 177.780 176.600 0.109 0.000 0.996 572 E CA 1.303 57.771 56.400 0.114 0.000 0.832 572 E CB 0.145 29.860 29.700 0.024 0.000 0.756 572 E HN 0.545 nan 8.360 nan 0.000 0.491 573 E N 0.562 120.821 120.200 0.098 0.000 2.358 573 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 573 E C 0.358 177.021 176.600 0.106 0.000 1.010 573 E CA 0.349 56.789 56.400 0.066 0.000 0.856 573 E CB 0.133 29.842 29.700 0.015 0.000 0.795 573 E HN 0.152 nan 8.360 nan 0.000 0.504 574 A N 1.118 124.053 122.820 0.191 0.000 2.445 574 A HA 0.062 4.382 4.320 -0.000 0.000 0.242 574 A C 0.635 178.336 177.584 0.194 0.000 1.075 574 A CA -0.015 52.171 52.037 0.249 0.000 0.777 574 A CB 0.418 19.638 19.000 0.366 0.000 1.013 574 A HN 0.079 nan 8.150 nan 0.000 0.493 575 K N 0.610 121.127 120.400 0.196 0.000 2.361 575 K HA 0.286 4.606 4.320 -0.000 0.000 0.196 575 K C 0.310 176.975 176.600 0.109 0.000 1.039 575 K CA 1.046 57.416 56.287 0.138 0.000 1.001 575 K CB 0.287 32.864 32.500 0.129 0.000 0.795 575 K HN 0.708 nan 8.250 nan 0.000 0.495 576 A N 1.709 124.595 122.820 0.111 0.000 2.408 576 A HA 0.558 4.878 4.320 -0.000 0.000 0.295 576 A C -1.671 175.889 177.584 -0.040 0.000 1.040 576 A CA -0.666 51.376 52.037 0.010 0.000 0.707 576 A CB 1.512 20.492 19.000 -0.032 0.000 1.235 576 A HN 0.052 nan 8.150 nan 0.000 0.418 577 L N 4.472 125.654 121.223 -0.068 0.000 2.493 577 L HA 0.804 5.144 4.340 -0.000 0.000 0.265 577 L C -1.173 175.613 176.870 -0.141 0.000 0.954 577 L CA -0.524 54.259 54.840 -0.095 0.000 0.844 577 L CB 1.487 43.544 42.059 -0.004 0.000 1.302 577 L HN 0.907 nan 8.230 nan 0.000 0.405 578 I N 1.537 122.002 120.570 -0.175 0.000 2.934 578 I HA 0.958 5.128 4.170 -0.000 0.000 0.306 578 I C -0.886 175.104 176.117 -0.212 0.000 1.110 578 I CA -0.825 60.364 61.300 -0.186 0.000 1.019 578 I CB 2.361 40.251 38.000 -0.183 0.000 1.227 578 I HN 0.693 nan 8.210 nan 0.000 0.434 579 A N 3.335 125.990 122.820 -0.274 0.000 2.355 579 A HA 0.681 5.001 4.320 -0.000 0.000 0.317 579 A C 0.150 177.419 177.584 -0.526 0.000 1.094 579 A CA -0.100 51.667 52.037 -0.449 0.000 0.764 579 A CB 1.706 20.320 19.000 -0.644 0.000 1.230 579 A HN 1.331 nan 8.150 nan 0.000 0.448 580 V N -1.123 118.525 119.914 -0.442 0.000 3.604 580 V HA 0.247 4.367 4.120 -0.000 0.000 0.277 580 V C 0.332 176.416 176.094 -0.017 0.000 1.399 580 V CA 0.539 62.723 62.300 -0.194 0.000 1.034 580 V CB -1.638 30.156 31.823 -0.049 0.000 0.824 580 V HN 1.190 nan 8.190 nan 0.000 0.439 581 Y N 0.070 120.391 120.300 0.036 0.000 3.929 581 Y HA 0.093 4.643 4.550 -0.000 0.000 0.225 581 Y C 0.714 176.663 175.900 0.081 0.000 1.200 581 Y CA 0.688 58.815 58.100 0.046 0.000 1.791 581 Y CB -1.886 36.588 38.460 0.024 0.000 1.561 581 Y HN 0.815 nan 8.280 nan 0.000 0.657 582 G N -0.671 108.250 108.800 0.203 0.000 2.717 582 G HA2 0.460 4.420 3.960 -0.000 0.000 0.300 582 G HA3 0.460 4.420 3.960 -0.000 0.000 0.300 582 G C -0.355 174.643 174.900 0.163 0.000 1.424 582 G CA -0.369 44.822 45.100 0.153 0.000 1.033 582 G HN 0.417 nan 8.290 nan 0.000 0.577 583 F N 0.092 120.150 119.950 0.181 0.000 2.706 583 F HA 0.537 5.064 4.527 0.000 0.000 0.308 583 F C 0.761 176.674 175.800 0.189 0.000 1.095 583 F CA -0.803 57.335 58.000 0.230 0.000 1.244 583 F CB 0.254 39.499 39.000 0.409 0.000 1.063 583 F HN 0.156 nan 8.300 nan 0.000 0.582 584 K N 1.814 122.000 120.400 -0.356 0.000 2.326 584 K HA 0.458 4.777 4.320 -0.000 0.000 0.275 584 K C 0.631 177.257 176.600 0.043 0.000 1.018 584 K CA 0.200 56.383 56.287 -0.173 0.000 0.962 584 K CB 0.976 33.295 32.500 -0.300 0.000 0.953 584 K HN 0.361 nan 8.250 nan 0.000 0.475 585 G N 1.035 109.891 108.800 0.094 0.000 3.019 585 G HA2 0.183 4.143 3.960 -0.000 0.000 0.152 585 G HA3 0.183 4.143 3.960 -0.000 0.000 0.152 585 G C -1.555 173.437 174.900 0.153 0.000 1.320 585 G CA -0.160 45.031 45.100 0.151 0.000 1.013 585 G HN 0.576 nan 8.290 nan 0.000 0.593 586 Y N 0.249 120.526 120.300 -0.037 0.000 2.350 586 Y HA 0.638 5.188 4.550 -0.000 0.000 0.338 586 Y C -0.275 175.542 175.900 -0.138 0.000 0.961 586 Y CA -0.685 57.308 58.100 -0.179 0.000 1.100 586 Y CB 1.546 39.806 38.460 -0.332 0.000 1.179 586 Y HN 0.687 nan 8.280 nan 0.000 0.454 587 A N 4.377 126.890 122.820 -0.511 0.000 2.547 587 A HA 0.443 4.763 4.320 -0.000 0.000 0.297 587 A C -0.747 176.565 177.584 -0.452 0.000 1.056 587 A CA -0.881 50.941 52.037 -0.360 0.000 0.688 587 A CB 0.809 19.704 19.000 -0.176 0.000 1.282 587 A HN 0.909 nan 8.150 nan 0.000 0.400 588 N N 0.769 119.275 118.700 -0.323 0.000 2.716 588 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 588 N C 1.000 176.310 175.510 -0.333 0.000 1.033 588 N CA 2.426 55.327 53.050 -0.249 0.000 0.727 588 N CB -1.220 37.167 38.487 -0.165 0.000 0.950 588 N HN 2.349 nan 8.380 nan 0.000 0.541 589 G N -0.630 107.839 108.800 -0.553 0.000 2.148 589 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.254 589 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.254 589 G C 0.007 174.562 174.900 -0.576 0.000 0.981 589 G CA 0.753 45.555 45.100 -0.497 0.000 0.670 589 G HN 0.795 nan 8.290 nan 0.000 0.528 590 R N -0.575 119.458 120.500 -0.778 0.000 2.561 590 R HA 0.584 4.923 4.340 -0.000 0.000 0.297 590 R C -0.668 175.384 176.300 -0.413 0.000 0.969 590 R CA -0.951 54.913 56.100 -0.394 0.000 0.879 590 R CB 0.840 31.017 30.300 -0.203 0.000 1.178 590 R HN 0.093 nan 8.270 nan 0.000 0.445 591 Y N 4.647 124.957 120.300 0.016 0.000 2.436 591 Y HA 0.077 4.627 4.550 -0.000 0.000 0.336 591 Y C 1.159 177.060 175.900 0.000 0.000 1.049 591 Y CA -0.091 58.069 58.100 0.099 0.000 1.294 591 Y CB 0.971 39.511 38.460 0.134 0.000 1.179 591 Y HN 0.518 nan 8.280 nan 0.000 0.520 592 L N 2.137 123.426 121.223 0.110 0.000 2.446 592 L HA 0.101 4.441 4.340 -0.000 0.000 0.219 592 L C 0.445 177.326 176.870 0.018 0.000 1.116 592 L CA 0.719 55.575 54.840 0.027 0.000 0.844 592 L CB -0.044 42.003 42.059 -0.019 0.000 0.970 592 L HN 0.641 nan 8.230 nan 0.000 0.457 593 Q N -1.021 118.816 119.800 0.062 0.000 2.482 593 Q HA 0.251 4.590 4.340 -0.000 0.000 0.286 593 Q C -2.133 173.899 176.000 0.053 0.000 1.007 593 Q CA -1.296 54.522 55.803 0.024 0.000 0.801 593 Q CB 3.076 31.794 28.738 -0.034 0.000 1.455 593 Q HN -0.282 nan 8.270 nan 0.000 0.398 594 P HA 0.067 nan 4.420 nan 0.000 0.261 594 P C -0.173 177.122 177.300 -0.009 0.000 1.268 594 P CA 0.500 63.579 63.100 -0.035 0.000 0.833 594 P CB 0.589 32.258 31.700 -0.052 0.000 1.231 595 N N 0.751 119.469 118.700 0.030 0.000 2.106 595 N HA -0.051 4.689 4.740 -0.000 0.000 0.188 595 N C 1.908 177.441 175.510 0.038 0.000 1.029 595 N CA 1.066 54.144 53.050 0.048 0.000 0.848 595 N CB -0.966 37.567 38.487 0.076 0.000 1.007 595 N HN 0.136 nan 8.380 nan 0.000 0.423 596 I N 0.711 121.316 120.570 0.058 0.000 2.179 596 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 596 I C -0.817 175.323 176.117 0.038 0.000 1.088 596 I CA 1.137 62.476 61.300 0.065 0.000 1.357 596 I CB -0.942 37.126 38.000 0.114 0.000 1.051 596 I HN 0.097 nan 8.210 nan 0.000 0.409 597 P HA -0.176 nan 4.420 nan 0.000 0.216 597 P C 1.472 178.749 177.300 -0.039 0.000 1.150 597 P CA 1.800 64.871 63.100 -0.048 0.000 0.837 597 P CB -0.048 31.522 31.700 -0.216 0.000 0.786 598 A N -0.134 122.665 122.820 -0.036 0.000 1.908 598 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 598 A C 2.496 180.067 177.584 -0.021 0.000 1.181 598 A CA 2.175 54.198 52.037 -0.023 0.000 0.627 598 A CB -1.898 17.099 19.000 -0.006 0.000 0.818 598 A HN 0.282 nan 8.150 nan 0.000 0.445 599 G N -0.656 108.131 108.800 -0.022 0.000 2.418 599 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 599 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 599 G C 1.500 176.366 174.900 -0.056 0.000 1.158 599 G CA 1.242 46.311 45.100 -0.051 0.000 0.771 599 G HN 0.334 nan 8.290 nan 0.000 0.545 600 V N 1.329 121.242 119.914 -0.003 0.000 2.343 600 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 600 V C 2.962 179.130 176.094 0.123 0.000 1.051 600 V CA 1.633 63.975 62.300 0.070 0.000 1.036 600 V CB -0.354 31.549 31.823 0.134 0.000 0.654 600 V HN 0.274 nan 8.190 nan 0.000 0.451 601 M N -0.057 119.579 119.600 0.061 0.000 2.117 601 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 601 M C 2.432 178.749 176.300 0.028 0.000 1.065 601 M CA 2.241 57.575 55.300 0.057 0.000 1.114 601 M CB -1.393 31.211 32.600 0.007 0.000 1.361 601 M HN 0.423 nan 8.290 nan 0.000 0.408 602 A N 0.462 123.265 122.820 -0.028 0.000 1.902 602 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 602 A C 2.237 179.736 177.584 -0.142 0.000 1.181 602 A CA 1.368 53.363 52.037 -0.071 0.000 0.623 602 A CB -0.878 18.068 19.000 -0.088 0.000 0.818 602 A HN 0.445 nan 8.150 nan 0.000 0.443 603 I N -1.874 118.555 120.570 -0.235 0.000 2.264 603 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 603 I C 1.396 177.167 176.117 -0.576 0.000 1.111 603 I CA 1.312 62.295 61.300 -0.527 0.000 1.382 603 I CB -0.215 37.356 38.000 -0.715 0.000 1.060 603 I HN 0.303 nan 8.210 nan 0.000 0.418 604 F N 0.454 120.328 119.950 -0.127 0.000 2.660 604 F HA 0.303 4.830 4.527 -0.000 0.000 0.302 604 F C 1.616 177.390 175.800 -0.043 0.000 1.103 604 F CA 0.357 58.320 58.000 -0.062 0.000 1.340 604 F CB -0.024 38.949 39.000 -0.045 0.000 1.048 604 F HN 0.126 nan 8.300 nan 0.000 0.551 605 G N 0.100 108.931 108.800 0.052 0.000 2.147 605 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 605 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 605 G C 0.954 175.877 174.900 0.038 0.000 1.005 605 G CA 0.172 45.294 45.100 0.035 0.000 0.713 605 G HN 0.318 nan 8.290 nan 0.000 0.515 606 Q N -0.943 118.883 119.800 0.045 0.000 2.219 606 Q HA 0.622 4.962 4.340 -0.000 0.000 0.209 606 Q C 0.833 176.838 176.000 0.009 0.000 0.854 606 Q CA 0.964 56.783 55.803 0.027 0.000 0.960 606 Q CB 1.120 29.876 28.738 0.030 0.000 1.116 606 Q HN 1.410 nan 8.270 nan 0.000 0.500 607 A N 0.783 123.605 122.820 0.003 0.000 2.606 607 A HA 0.623 4.943 4.320 -0.000 0.000 0.293 607 A C -1.401 176.175 177.584 -0.012 0.000 1.082 607 A CA -0.743 51.290 52.037 -0.006 0.000 0.685 607 A CB 1.522 20.516 19.000 -0.010 0.000 1.284 607 A HN 0.017 nan 8.150 nan 0.000 0.408 608 K N 1.965 122.358 120.400 -0.012 0.000 2.414 608 K HA 0.545 4.865 4.320 -0.000 0.000 0.251 608 K C -2.774 173.815 176.600 -0.019 0.000 1.037 608 K CA -1.679 54.598 56.287 -0.016 0.000 0.980 608 K CB 0.780 33.274 32.500 -0.011 0.000 1.280 608 K HN 0.399 nan 8.250 nan 0.000 0.451 609 P HA 0.069 nan 4.420 nan 0.000 0.268 609 P C -0.759 176.524 177.300 -0.029 0.000 1.205 609 P CA -0.166 62.917 63.100 -0.027 0.000 0.771 609 P CB 0.796 32.469 31.700 -0.046 0.000 0.858 610 K N 1.002 121.391 120.400 -0.018 0.000 2.533 610 K HA 0.236 4.556 4.320 -0.000 0.000 0.202 610 K C 0.777 177.365 176.600 -0.020 0.000 1.096 610 K CA -0.279 55.994 56.287 -0.023 0.000 1.056 610 K CB 1.053 33.543 32.500 -0.017 0.000 0.890 610 K HN 0.555 nan 8.250 nan 0.000 0.552 611 G N 1.328 110.126 108.800 -0.004 0.000 2.476 611 G HA2 0.297 4.257 3.960 -0.000 0.000 0.269 611 G HA3 0.297 4.257 3.960 -0.000 0.000 0.269 611 G C -0.082 174.817 174.900 -0.002 0.000 1.195 611 G CA -0.028 45.085 45.100 0.022 0.000 0.843 611 G HN 0.093 nan 8.290 nan 0.000 0.545 612 T N -0.676 113.885 114.554 0.012 0.000 2.900 612 T HA 0.553 4.903 4.350 -0.000 0.000 0.295 612 T C -0.001 174.737 174.700 0.063 0.000 1.044 612 T CA -0.865 61.241 62.100 0.010 0.000 0.995 612 T CB 1.397 70.263 68.868 -0.004 0.000 1.072 612 T HN 0.366 nan 8.240 nan 0.000 0.473 613 L N 3.699 124.986 121.223 0.108 0.000 2.540 613 L HA 0.220 4.560 4.340 -0.000 0.000 0.276 613 L C -1.214 175.714 176.870 0.096 0.000 1.212 613 L CA -1.329 53.601 54.840 0.149 0.000 0.893 613 L CB 0.646 42.819 42.059 0.190 0.000 1.138 613 L HN 0.619 nan 8.230 nan 0.000 0.491 614 P HA 0.065 nan 4.420 nan 0.000 0.268 614 P C -0.463 176.886 177.300 0.082 0.000 1.329 614 P CA 0.281 63.403 63.100 0.036 0.000 0.899 614 P CB 0.448 32.125 31.700 -0.037 0.000 1.378 615 V N -4.134 115.854 119.914 0.123 0.000 3.078 615 V HA 0.573 4.693 4.120 -0.000 0.000 0.311 615 V C -0.803 175.409 176.094 0.198 0.000 1.138 615 V CA -1.157 61.248 62.300 0.175 0.000 1.007 615 V CB 2.107 34.075 31.823 0.241 0.000 1.045 615 V HN -0.279 nan 8.190 nan 0.000 0.432 616 D N 2.388 122.910 120.400 0.205 0.000 2.345 616 D HA 0.389 5.029 4.640 -0.000 0.000 0.247 616 D C -0.437 176.034 176.300 0.284 0.000 1.108 616 D CA 0.089 54.209 54.000 0.199 0.000 0.894 616 D CB 1.696 42.577 40.800 0.136 0.000 1.203 616 D HN 0.403 nan 8.370 nan 0.000 0.430 617 I N 3.750 124.481 120.570 0.268 0.000 2.306 617 I HA 0.210 4.380 4.170 -0.000 0.000 0.288 617 I C -2.234 173.988 176.117 0.175 0.000 1.036 617 I CA -2.551 58.937 61.300 0.314 0.000 1.221 617 I CB 0.657 38.872 38.000 0.359 0.000 1.385 617 I HN -0.111 nan 8.210 nan 0.000 0.472 618 P HA 0.040 nan 4.420 nan 0.000 0.269 618 P C 0.146 177.453 177.300 0.011 0.000 1.209 618 P CA -0.003 63.122 63.100 0.040 0.000 0.776 618 P CB 0.647 32.349 31.700 0.004 0.000 0.876 619 S N 1.515 117.193 115.700 -0.037 0.000 2.549 619 S HA 0.093 4.563 4.470 -0.000 0.000 0.279 619 S C 1.223 175.796 174.600 -0.046 0.000 1.321 619 S CA -0.526 57.636 58.200 -0.063 0.000 1.054 619 S CB -0.035 63.114 63.200 -0.086 0.000 0.899 619 S HN 0.163 nan 8.310 nan 0.000 0.497 620 V N 4.205 124.090 119.914 -0.050 0.000 2.685 620 V HA -0.029 4.091 4.120 -0.000 0.000 0.244 620 V C 2.546 178.603 176.094 -0.060 0.000 1.054 620 V CA 1.788 64.056 62.300 -0.053 0.000 1.076 620 V CB -0.582 31.204 31.823 -0.061 0.000 0.725 620 V HN 1.049 nan 8.190 nan 0.000 0.467 621 T N -2.589 111.925 114.554 -0.066 0.000 3.067 621 T HA 0.030 4.380 4.350 -0.000 0.000 0.261 621 T C 0.850 175.516 174.700 -0.057 0.000 1.110 621 T CA 0.538 62.600 62.100 -0.063 0.000 1.113 621 T CB -0.043 68.785 68.868 -0.066 0.000 0.917 621 T HN 0.342 nan 8.240 nan 0.000 0.499 622 K N 2.357 122.721 120.400 -0.059 0.000 2.753 622 K HA 0.329 4.649 4.320 -0.000 0.000 0.185 622 K C -3.102 173.468 176.600 -0.049 0.000 1.071 622 K CA -1.909 54.346 56.287 -0.054 0.000 0.999 622 K CB 1.701 34.165 32.500 -0.060 0.000 1.244 622 K HN 0.196 nan 8.250 nan 0.000 0.594 623 P HA -0.045 nan 4.420 nan 0.000 0.265 623 P C 0.882 178.160 177.300 -0.036 0.000 1.193 623 P CA 0.973 64.049 63.100 -0.040 0.000 0.765 623 P CB 0.716 32.394 31.700 -0.037 0.000 0.823 624 G N 1.886 110.666 108.800 -0.033 0.000 2.195 624 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.246 624 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.246 624 G C 0.075 174.957 174.900 -0.029 0.000 0.984 624 G CA -0.243 44.840 45.100 -0.028 0.000 0.633 624 G HN 0.590 nan 8.290 nan 0.000 0.525 625 N N 0.106 118.784 118.700 -0.037 0.000 2.430 625 N HA 0.616 5.356 4.740 -0.000 0.000 0.298 625 N C -0.498 174.984 175.510 -0.046 0.000 1.130 625 N CA -0.205 52.819 53.050 -0.043 0.000 0.894 625 N CB 1.304 39.758 38.487 -0.055 0.000 1.209 625 N HN 0.054 nan 8.380 nan 0.000 0.503 626 T N 1.557 116.083 114.554 -0.047 0.000 2.771 626 T HA 0.134 4.484 4.350 -0.000 0.000 0.291 626 T C 1.021 175.656 174.700 -0.109 0.000 0.954 626 T CA -0.389 61.684 62.100 -0.044 0.000 1.045 626 T CB 0.916 69.774 68.868 -0.015 0.000 0.917 626 T HN 0.327 nan 8.240 nan 0.000 0.484 627 L N 3.922 125.051 121.223 -0.157 0.000 2.049 627 L HA 0.271 4.611 4.340 -0.000 0.000 0.203 627 L C -0.524 176.015 176.870 -0.552 0.000 1.074 627 L CA 1.540 56.153 54.840 -0.379 0.000 0.749 627 L CB -0.044 41.752 42.059 -0.439 0.000 0.907 627 L HN 0.591 nan 8.230 nan 0.000 0.439 628 Y N 0.778 121.048 120.300 -0.052 0.000 2.338 628 Y HA 0.523 5.073 4.550 -0.000 0.000 0.333 628 Y C -2.327 173.568 175.900 -0.007 0.000 0.968 628 Y CA -3.339 54.699 58.100 -0.104 0.000 1.123 628 Y CB 0.888 39.351 38.460 0.005 0.000 1.165 628 Y HN 0.045 nan 8.280 nan 0.000 0.452 629 P HA 0.181 nan 4.420 nan 0.000 0.279 629 P C -0.275 177.134 177.300 0.183 0.000 1.252 629 P CA -0.616 62.560 63.100 0.127 0.000 0.811 629 P CB 1.772 33.519 31.700 0.078 0.000 1.035 630 L N 1.506 122.816 121.223 0.146 0.000 2.640 630 L HA 0.111 4.451 4.340 -0.000 0.000 0.280 630 L C 1.364 178.313 176.870 0.132 0.000 1.229 630 L CA 1.876 56.796 54.840 0.133 0.000 0.919 630 L CB -0.973 41.146 42.059 0.101 0.000 1.168 630 L HN 0.881 nan 8.230 nan 0.000 0.496 631 G N 2.512 111.390 108.800 0.130 0.000 2.195 631 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.224 631 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.224 631 G C -0.221 174.764 174.900 0.142 0.000 0.990 631 G CA 0.069 45.234 45.100 0.109 0.000 0.639 631 G HN 0.672 nan 8.290 nan 0.000 0.514 632 Y N 1.820 122.154 120.300 0.056 0.000 2.335 632 Y HA 0.519 5.069 4.550 -0.000 0.000 0.331 632 Y C 0.601 176.508 175.900 0.012 0.000 1.094 632 Y CA 0.560 58.689 58.100 0.049 0.000 1.253 632 Y CB 1.336 39.853 38.460 0.095 0.000 1.203 632 Y HN 0.715 nan 8.280 nan 0.000 0.508 633 G N 5.843 114.264 108.800 -0.631 0.000 2.655 633 G HA2 0.454 4.414 3.960 -0.000 0.000 0.296 633 G HA3 0.454 4.414 3.960 -0.000 0.000 0.296 633 G C -2.286 172.297 174.900 -0.528 0.000 1.485 633 G CA -0.990 43.813 45.100 -0.494 0.000 0.869 633 G HN 0.708 nan 8.290 nan 0.000 0.540 634 L N 1.291 122.273 121.223 -0.401 0.000 2.334 634 L HA 0.495 4.835 4.340 -0.000 0.000 0.272 634 L C 0.154 176.928 176.870 -0.161 0.000 1.020 634 L CA -1.301 53.372 54.840 -0.278 0.000 0.812 634 L CB 1.916 43.842 42.059 -0.221 0.000 1.264 634 L HN 0.510 nan 8.230 nan 0.000 0.439 635 N N 2.072 120.703 118.700 -0.115 0.000 2.442 635 N HA 0.051 4.791 4.740 -0.000 0.000 0.265 635 N C 0.650 176.123 175.510 -0.061 0.000 1.138 635 N CA 0.248 53.256 53.050 -0.071 0.000 0.956 635 N CB 1.227 39.687 38.487 -0.046 0.000 1.067 635 N HN 0.706 nan 8.380 nan 0.000 0.474 636 I N 3.659 124.197 120.570 -0.054 0.000 2.614 636 I HA -0.159 4.011 4.170 -0.000 0.000 0.258 636 I C 1.656 177.770 176.117 -0.005 0.000 1.189 636 I CA 0.978 62.249 61.300 -0.049 0.000 1.462 636 I CB 0.256 38.222 38.000 -0.057 0.000 1.092 636 I HN 0.520 nan 8.210 nan 0.000 0.442 637 K N -0.501 119.909 120.400 0.017 0.000 2.214 637 K HA 0.013 4.333 4.320 -0.000 0.000 0.201 637 K C 1.882 178.547 176.600 0.108 0.000 1.049 637 K CA 1.573 57.904 56.287 0.074 0.000 0.978 637 K CB 0.143 32.671 32.500 0.047 0.000 0.842 637 K HN 0.384 nan 8.250 nan 0.000 0.474 638 T N -3.183 111.400 114.554 0.049 0.000 3.014 638 T HA 0.163 4.513 4.350 -0.000 0.000 0.250 638 T C 1.438 176.150 174.700 0.019 0.000 1.060 638 T CA 0.741 62.872 62.100 0.052 0.000 1.040 638 T CB 0.596 69.480 68.868 0.027 0.000 0.971 638 T HN 0.320 nan 8.240 nan 0.000 0.497 639 G N 2.807 111.593 108.800 -0.023 0.000 2.184 639 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.264 639 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.264 639 G C 0.242 175.123 174.900 -0.031 0.000 0.975 639 G CA 0.289 45.358 45.100 -0.052 0.000 0.642 639 G HN 1.025 nan 8.290 nan 0.000 0.536 640 R N 0.272 120.758 120.500 -0.023 0.000 2.490 640 R HA 0.551 4.891 4.340 -0.000 0.000 0.278 640 R C -2.727 173.540 176.300 -0.055 0.000 1.069 640 R CA -1.658 54.431 56.100 -0.017 0.000 1.080 640 R CB 0.556 30.853 30.300 -0.005 0.000 1.030 640 R HN 0.086 nan 8.270 nan 0.000 0.491 641 P HA 0.022 nan 4.420 nan 0.000 0.269 641 P C -0.263 176.984 177.300 -0.087 0.000 1.209 641 P CA -0.059 62.970 63.100 -0.118 0.000 0.776 641 P CB 0.525 32.204 31.700 -0.034 0.000 0.876 642 L N 0.000 121.151 121.223 -0.119 0.000 2.949 642 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 642 L CA 0.000 54.795 54.840 -0.075 0.000 0.813 642 L CB 0.000 42.008 42.059 -0.085 0.000 0.961 642 L HN 0.000 nan 8.230 nan 0.000 0.502