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 3qdk_1_A DATA FIRST_RESID 5 DATA SEQUENCE KYTIGVDYGT ESGRAVLIDL SNGQELADHV TPYRHGVIDQ YLPNTNIKLG DATA SEQUENCE HEWALQHPLD YVEVLTTSVP AVMKEXXXDA DDVIGIGVDF TACTMLPVDE DATA SEQUENCE EGQPLCLLAQ YKDNPHSWVK LWKHHAAQDK ANAINEMAEK RGEAFLPRYG DATA SEQUENCE GKISSEWMIA KVWQILDEAE DVYNRTDQFL EATDWIVSQM TGKIVKNSCT DATA SEQUENCE AGYKAIWHKR EGYPSNEFFK ALDPRLEHLT TTKLRGDIVP LGERAGGLLP DATA SEQUENCE EMAEKMGLNP GIAVAVGNVD AHAAVPAVGV TTPGKLVMAM GTSICHMLLG DATA SEQUENCE EKEQEVEGMC GVVEDGIIPG YLGYEAGQSA VGDIFAWFVK HGVSAATFDE DATA SEQUENCE AQEKGVNVHA LLEEKASQLR PGESGLLALD WWNGNRSILV DTELSGMLLG DATA SEQUENCE YTLQTKPEEI YRALLEATAF GTRAIVDAFH GRGVEVHELY ACGGLPQKNH DATA SEQUENCE LLMQIFADVT NREIKVAASK QTPALGAAMF ASVAAGSEVG GYDSIEEAAK DATA SEQUENCE KMGRVKDETF KPIPEHVAIY EKLYQEYVTL HDYFGRGAND VMKRLKALK 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.171 176.600 -0.716 0.000 0.988 5 K CA 0.000 55.894 56.287 -0.655 0.000 0.838 5 K CB 0.000 32.309 32.500 -0.318 0.000 1.064 6 Y N -0.355 119.949 120.300 0.006 0.000 2.705 6 Y HA 0.716 5.267 4.550 0.001 0.000 0.332 6 Y C 0.362 176.275 175.900 0.022 0.000 1.157 6 Y CA -0.822 57.288 58.100 0.018 0.000 1.091 6 Y CB 1.977 40.446 38.460 0.014 0.000 1.301 6 Y HN 0.543 nan 8.280 nan 0.000 0.488 7 T N -1.710 112.975 114.554 0.218 0.000 2.841 7 T HA 0.817 5.168 4.350 0.001 0.000 0.296 7 T C -1.262 173.502 174.700 0.108 0.000 1.166 7 T CA -0.768 61.412 62.100 0.133 0.000 1.007 7 T CB 1.759 70.693 68.868 0.110 0.000 1.253 7 T HN 0.505 nan 8.240 nan 0.000 0.511 8 I N 0.513 121.130 120.570 0.078 0.000 2.465 8 I HA 0.625 4.796 4.170 0.001 0.000 0.291 8 I C 0.321 176.467 176.117 0.049 0.000 1.014 8 I CA -0.951 60.379 61.300 0.050 0.000 1.093 8 I CB 2.159 40.181 38.000 0.037 0.000 1.267 8 I HN 0.991 nan 8.210 nan 0.000 0.431 9 G N 5.336 114.155 108.800 0.031 0.000 2.487 9 G HA2 0.570 4.530 3.960 0.001 0.000 0.314 9 G HA3 0.570 4.530 3.960 0.001 0.000 0.314 9 G C -0.943 173.949 174.900 -0.012 0.000 1.267 9 G CA -0.330 44.789 45.100 0.032 0.000 0.937 9 G HN 0.323 nan 8.290 nan 0.000 0.481 10 V N 2.888 122.788 119.914 -0.023 0.000 2.318 10 V HA 0.172 4.293 4.120 0.001 0.000 0.271 10 V C -0.348 175.625 176.094 -0.202 0.000 1.030 10 V CA -0.787 61.419 62.300 -0.156 0.000 0.844 10 V CB 1.137 32.841 31.823 -0.199 0.000 1.015 10 V HN 0.784 nan 8.190 nan 0.000 0.460 11 D N 4.158 124.435 120.400 -0.204 0.000 2.393 11 D HA 0.187 4.828 4.640 0.001 0.000 0.232 11 D C -0.713 175.438 176.300 -0.249 0.000 1.192 11 D CA -0.120 53.790 54.000 -0.150 0.000 0.882 11 D CB 0.239 40.987 40.800 -0.085 0.000 1.038 11 D HN 0.446 nan 8.370 nan 0.000 0.499 12 Y N 2.543 122.690 120.300 -0.256 0.000 2.452 12 Y HA 0.459 5.009 4.550 0.001 0.000 0.348 12 Y C 1.254 177.014 175.900 -0.232 0.000 0.985 12 Y CA -0.216 57.644 58.100 -0.400 0.000 1.214 12 Y CB 1.483 39.118 38.460 -1.376 0.000 1.136 12 Y HN 0.430 nan 8.280 nan 0.000 0.523 13 G N 1.174 110.034 108.800 0.100 0.000 2.583 13 G HA2 0.204 4.165 3.960 0.001 0.000 0.280 13 G HA3 0.204 4.165 3.960 0.001 0.000 0.280 13 G C 0.697 175.809 174.900 0.353 0.000 1.376 13 G CA -0.477 44.706 45.100 0.138 0.000 1.043 13 G HN 0.482 nan 8.290 nan 0.000 0.538 14 T N 0.046 114.815 114.554 0.358 0.000 2.896 14 T HA 0.021 4.372 4.350 0.001 0.000 0.263 14 T C 1.852 176.800 174.700 0.413 0.000 1.050 14 T CA 1.270 63.681 62.100 0.518 0.000 1.140 14 T CB 0.043 69.240 68.868 0.548 0.000 0.877 14 T HN 0.428 nan 8.240 nan 0.000 0.457 15 E N 0.930 121.211 120.200 0.135 0.000 2.330 15 E HA 0.173 4.523 4.350 0.001 0.000 0.200 15 E C 1.005 177.272 176.600 -0.556 0.000 0.922 15 E CA 0.276 56.658 56.400 -0.030 0.000 0.935 15 E CB 0.537 30.239 29.700 0.003 0.000 0.917 15 E HN 0.518 nan 8.360 nan 0.000 0.491 16 S N -0.839 114.434 115.700 -0.711 0.000 2.671 16 S HA 0.756 5.226 4.470 0.001 0.000 0.277 16 S C -0.095 174.162 174.600 -0.572 0.000 1.165 16 S CA -0.575 57.085 58.200 -0.900 0.000 0.822 16 S CB 2.153 65.144 63.200 -0.348 0.000 1.150 16 S HN 0.068 nan 8.310 nan 0.000 0.479 17 G N -0.170 108.482 108.800 -0.247 0.000 2.524 17 G HA2 0.755 4.716 3.960 0.001 0.000 0.310 17 G HA3 0.755 4.716 3.960 0.001 0.000 0.310 17 G C -1.151 173.657 174.900 -0.154 0.000 1.279 17 G CA -1.110 43.917 45.100 -0.122 0.000 0.974 17 G HN 0.980 nan 8.290 nan 0.000 0.484 18 R N 0.127 120.497 120.500 -0.217 0.000 2.584 18 R HA 0.757 5.098 4.340 0.001 0.000 0.276 18 R C -0.938 175.284 176.300 -0.130 0.000 1.046 18 R CA -0.725 55.305 56.100 -0.116 0.000 0.906 18 R CB 1.722 31.970 30.300 -0.087 0.000 1.215 18 R HN 0.797 nan 8.270 nan 0.000 0.449 19 A N 2.616 125.401 122.820 -0.058 0.000 2.312 19 A HA 0.703 5.024 4.320 0.001 0.000 0.328 19 A C -0.374 177.195 177.584 -0.026 0.000 1.158 19 A CA -0.439 51.567 52.037 -0.052 0.000 0.821 19 A CB 1.534 20.515 19.000 -0.032 0.000 1.170 19 A HN 1.046 nan 8.150 nan 0.000 0.490 20 V N 0.682 120.579 119.914 -0.028 0.000 2.733 20 V HA 0.698 4.819 4.120 0.001 0.000 0.306 20 V C -1.062 175.016 176.094 -0.025 0.000 1.084 20 V CA -0.825 61.458 62.300 -0.028 0.000 0.905 20 V CB 1.241 33.047 31.823 -0.027 0.000 1.010 20 V HN 0.982 nan 8.190 nan 0.000 0.424 21 L N 6.382 127.574 121.223 -0.053 0.000 2.260 21 L HA 0.663 5.003 4.340 0.001 0.000 0.289 21 L C -0.550 176.273 176.870 -0.080 0.000 1.057 21 L CA -0.008 54.788 54.840 -0.074 0.000 0.811 21 L CB 0.670 42.629 42.059 -0.167 0.000 1.184 21 L HN 0.656 nan 8.230 nan 0.000 0.429 22 I N 4.112 124.690 120.570 0.013 0.000 2.441 22 I HA 0.278 4.449 4.170 0.001 0.000 0.295 22 I C -0.060 176.180 176.117 0.206 0.000 0.994 22 I CA -0.569 60.766 61.300 0.057 0.000 1.144 22 I CB 1.528 39.562 38.000 0.056 0.000 1.314 22 I HN 0.574 nan 8.210 nan 0.000 0.445 23 D N 4.800 125.345 120.400 0.242 0.000 2.383 23 D HA 0.016 4.657 4.640 0.001 0.000 0.252 23 D C 0.785 177.215 176.300 0.215 0.000 1.166 23 D CA -0.228 54.020 54.000 0.414 0.000 0.879 23 D CB 1.339 42.323 40.800 0.307 0.000 1.164 23 D HN 0.261 nan 8.370 nan 0.000 0.462 24 L N 3.600 124.924 121.223 0.169 0.000 2.622 24 L HA -0.101 4.240 4.340 0.001 0.000 0.233 24 L C 2.111 179.095 176.870 0.190 0.000 1.156 24 L CA 0.954 55.892 54.840 0.164 0.000 0.866 24 L CB -0.488 41.633 42.059 0.103 0.000 0.980 24 L HN 0.437 nan 8.230 nan 0.000 0.448 25 S N -1.875 113.899 115.700 0.122 0.000 2.514 25 S HA 0.076 4.547 4.470 0.001 0.000 0.223 25 S C 1.424 176.073 174.600 0.081 0.000 1.046 25 S CA 0.246 58.513 58.200 0.112 0.000 0.914 25 S CB -0.075 63.160 63.200 0.059 0.000 0.807 25 S HN 0.550 nan 8.310 nan 0.000 0.497 26 N N 0.618 119.360 118.700 0.070 0.000 2.297 26 N HA 0.231 4.972 4.740 0.001 0.000 0.208 26 N C 1.280 176.808 175.510 0.030 0.000 1.176 26 N CA 0.896 53.972 53.050 0.043 0.000 0.882 26 N CB 0.053 38.565 38.487 0.042 0.000 1.134 26 N HN 0.662 nan 8.380 nan 0.000 0.489 27 G N 0.573 109.400 108.800 0.046 0.000 2.159 27 G HA2 -0.282 3.679 3.960 0.001 0.000 0.227 27 G HA3 -0.282 3.679 3.960 0.001 0.000 0.227 27 G C -0.209 174.706 174.900 0.026 0.000 0.986 27 G CA 0.299 45.416 45.100 0.027 0.000 0.651 27 G HN 0.633 nan 8.290 nan 0.000 0.523 28 Q N 0.979 120.801 119.800 0.037 0.000 2.340 28 Q HA 0.605 4.946 4.340 0.001 0.000 0.249 28 Q C 0.235 176.242 176.000 0.011 0.000 0.957 28 Q CA 1.007 56.822 55.803 0.021 0.000 0.882 28 Q CB 0.631 29.383 28.738 0.024 0.000 1.235 28 Q HN 0.935 nan 8.270 nan 0.000 0.439 29 E N 3.895 124.088 120.200 -0.013 0.000 2.151 29 E HA 0.409 4.760 4.350 0.001 0.000 0.275 29 E C 0.115 176.679 176.600 -0.061 0.000 0.936 29 E CA -0.172 56.205 56.400 -0.039 0.000 0.777 29 E CB 0.324 nan 29.700 nan 0.000 1.108 29 E HN 0.742 nan 8.360 nan 0.000 0.401 30 L N -0.752 120.403 121.223 -0.113 0.000 2.554 30 L HA 0.710 5.050 4.340 0.001 0.000 0.225 30 L C 0.975 177.786 176.870 -0.099 0.000 1.104 30 L CA 0.397 55.169 54.840 -0.113 0.000 0.866 30 L CB 0.065 42.023 42.059 -0.170 0.000 1.047 30 L HN 0.581 nan 8.230 nan 0.000 0.468 31 A N 1.107 123.868 122.820 -0.098 0.000 2.577 31 A HA 0.618 4.939 4.320 0.001 0.000 0.297 31 A C -1.925 175.634 177.584 -0.042 0.000 1.060 31 A CA -0.516 51.483 52.037 -0.064 0.000 0.697 31 A CB 1.365 20.322 19.000 -0.072 0.000 1.281 31 A HN 0.239 nan 8.150 nan 0.000 0.402 32 D N 1.059 121.450 120.400 -0.015 0.000 2.837 32 D HA 0.496 5.137 4.640 0.001 0.000 0.220 32 D C -1.555 174.772 176.300 0.046 0.000 1.236 32 D CA -0.206 53.795 54.000 0.002 0.000 0.838 32 D CB 1.600 42.386 40.800 -0.023 0.000 1.647 32 D HN 0.562 nan 8.370 nan 0.000 0.486 33 H N 1.034 120.076 119.070 -0.048 0.000 2.877 33 H HA 0.447 5.003 4.556 0.001 0.000 0.347 33 H C -1.698 173.602 175.328 -0.047 0.000 1.042 33 H CA -0.644 55.380 56.048 -0.039 0.000 1.276 33 H CB 1.957 31.702 29.762 -0.028 0.000 1.681 33 H HN 0.323 nan 8.280 nan 0.000 0.521 34 V N 5.400 125.199 119.914 -0.191 0.000 2.427 34 V HA 0.548 4.669 4.120 0.001 0.000 0.286 34 V C -0.583 175.511 176.094 -0.001 0.000 1.034 34 V CA -0.070 62.191 62.300 -0.064 0.000 0.893 34 V CB 1.343 33.089 31.823 -0.128 0.000 0.982 34 V HN 0.905 nan 8.190 nan 0.000 0.452 35 T N 6.910 121.544 114.554 0.133 0.000 2.788 35 T HA 0.560 4.911 4.350 0.001 0.000 0.296 35 T C -2.756 171.997 174.700 0.088 0.000 1.009 35 T CA -1.761 60.448 62.100 0.181 0.000 0.949 35 T CB 1.242 70.251 68.868 0.236 0.000 0.946 35 T HN 0.687 nan 8.240 nan 0.000 0.453 36 P HA 0.142 nan 4.420 nan 0.000 0.275 36 P C -0.865 176.523 177.300 0.145 0.000 1.228 36 P CA -0.552 62.535 63.100 -0.022 0.000 0.786 36 P CB 0.463 32.157 31.700 -0.010 0.000 0.927 37 Y N 2.131 122.523 120.300 0.154 0.000 2.537 37 Y HA 0.067 4.618 4.550 0.001 0.000 0.339 37 Y C 2.108 178.063 175.900 0.090 0.000 1.066 37 Y CA -0.525 57.678 58.100 0.172 0.000 1.357 37 Y CB -0.106 38.496 38.460 0.236 0.000 1.175 37 Y HN 0.430 nan 8.280 nan 0.000 0.525 38 R N 1.837 122.434 120.500 0.162 0.000 2.339 38 R HA -0.059 4.281 4.340 0.001 0.000 0.199 38 R C -0.213 175.948 176.300 -0.231 0.000 1.018 38 R CA 1.271 57.333 56.100 -0.063 0.000 1.036 38 R CB -0.209 29.992 30.300 -0.165 0.000 0.899 38 R HN 0.685 nan 8.270 nan 0.000 0.473 39 H N -0.397 118.760 119.070 0.145 0.000 3.170 39 H HA 0.203 4.759 4.556 0.001 0.000 0.264 39 H C 1.334 176.756 175.328 0.156 0.000 1.113 39 H CA 0.400 56.524 56.048 0.127 0.000 1.194 39 H CB 1.088 30.940 29.762 0.149 0.000 1.553 39 H HN 0.398 nan 8.280 nan 0.000 0.538 40 G N 1.529 110.523 108.800 0.322 0.000 2.672 40 G HA2 -0.365 3.596 3.960 0.001 0.000 0.324 40 G HA3 -0.365 3.596 3.960 0.001 0.000 0.324 40 G C 0.079 175.162 174.900 0.304 0.000 1.286 40 G CA 0.641 45.932 45.100 0.318 0.000 1.004 40 G HN 0.196 nan 8.290 nan 0.000 0.548 41 V N 1.220 121.259 119.914 0.208 0.000 2.427 41 V HA 0.514 4.635 4.120 0.001 0.000 0.286 41 V C 0.674 176.821 176.094 0.088 0.000 1.034 41 V CA -0.314 62.077 62.300 0.152 0.000 0.893 41 V CB 1.544 33.434 31.823 0.112 0.000 0.982 41 V HN 0.543 nan 8.190 nan 0.000 0.452 42 I N 5.001 125.600 120.570 0.047 0.000 2.268 42 I HA 0.247 4.417 4.170 0.001 0.000 0.290 42 I C 0.194 176.308 176.117 -0.006 0.000 1.125 42 I CA -0.123 61.163 61.300 -0.023 0.000 1.236 42 I CB 0.359 38.270 38.000 -0.147 0.000 1.469 42 I HN 0.779 nan 8.210 nan 0.000 0.512 43 D N 2.124 122.519 120.400 -0.008 0.000 2.441 43 D HA 0.047 4.687 4.640 0.001 0.000 0.210 43 D C 1.408 177.658 176.300 -0.084 0.000 1.102 43 D CA 0.366 54.363 54.000 -0.006 0.000 0.840 43 D CB 0.337 41.134 40.800 -0.005 0.000 0.990 43 D HN 0.416 nan 8.370 nan 0.000 0.505 44 Q N -0.106 119.607 119.800 -0.144 0.000 2.622 44 Q HA 0.379 4.720 4.340 0.001 0.000 0.208 44 Q C -0.016 175.679 176.000 -0.508 0.000 0.911 44 Q CA 0.331 55.929 55.803 -0.342 0.000 0.893 44 Q CB 0.202 28.764 28.738 -0.293 0.000 1.124 44 Q HN 0.436 nan 8.270 nan 0.000 0.634 45 Y N -1.218 119.027 120.300 -0.092 0.000 2.534 45 Y HA 0.567 5.118 4.550 0.001 0.000 0.345 45 Y C -0.695 175.098 175.900 -0.179 0.000 1.031 45 Y CA -1.462 56.562 58.100 -0.126 0.000 1.022 45 Y CB 2.067 40.477 38.460 -0.083 0.000 1.292 45 Y HN 0.280 nan 8.280 nan 0.000 0.459 46 L N 4.604 125.795 121.223 -0.054 0.000 2.485 46 L HA 0.139 4.480 4.340 0.001 0.000 0.275 46 L C -2.148 174.630 176.870 -0.153 0.000 1.207 46 L CA -1.477 53.195 54.840 -0.280 0.000 0.855 46 L CB -0.330 41.567 42.059 -0.270 0.000 1.114 46 L HN 0.373 nan 8.230 nan 0.000 0.485 47 P HA -0.123 nan 4.420 nan 0.000 0.248 47 P C -0.220 177.127 177.300 0.080 0.000 1.127 47 P CA 0.704 63.819 63.100 0.024 0.000 0.801 47 P CB -0.348 31.397 31.700 0.075 0.000 0.732 48 N N 0.326 119.070 118.700 0.075 0.000 2.714 48 N HA -0.231 4.509 4.740 0.001 0.000 0.253 48 N C -0.481 175.026 175.510 -0.005 0.000 1.024 48 N CA 1.391 54.466 53.050 0.041 0.000 0.726 48 N CB -2.016 36.512 38.487 0.070 0.000 0.908 48 N HN 0.455 nan 8.380 nan 0.000 0.542 49 T N -1.155 113.366 114.554 -0.055 0.000 2.626 49 T HA 0.642 4.993 4.350 0.001 0.000 0.279 49 T C -0.758 173.785 174.700 -0.262 0.000 0.983 49 T CA -0.448 61.590 62.100 -0.102 0.000 1.059 49 T CB 1.073 69.907 68.868 -0.057 0.000 1.396 49 T HN 0.320 nan 8.240 nan 0.000 0.519 50 N N 0.059 118.592 118.700 -0.277 0.000 2.305 50 N HA 0.397 5.138 4.740 0.001 0.000 0.248 50 N C -0.759 174.618 175.510 -0.223 0.000 1.290 50 N CA -0.121 52.634 53.050 -0.490 0.000 0.873 50 N CB 0.414 38.684 38.487 -0.361 0.000 1.261 50 N HN 0.455 nan 8.380 nan 0.000 0.504 51 I N 1.597 122.118 120.570 -0.081 0.000 2.278 51 I HA 0.140 4.311 4.170 0.001 0.000 0.296 51 I C 0.937 177.117 176.117 0.105 0.000 1.121 51 I CA -0.430 60.863 61.300 -0.012 0.000 1.267 51 I CB -0.210 37.763 38.000 -0.046 0.000 1.447 51 I HN 0.138 nan 8.210 nan 0.000 0.509 52 K N 6.993 127.502 120.400 0.181 0.000 2.440 52 K HA 0.291 4.612 4.320 0.001 0.000 0.270 52 K C -0.401 176.089 176.600 -0.183 0.000 0.980 52 K CA -0.026 56.329 56.287 0.113 0.000 0.953 52 K CB 0.363 32.914 32.500 0.085 0.000 0.925 52 K HN 0.403 nan 8.250 nan 0.000 0.497 53 L N 2.299 123.337 121.223 -0.308 0.000 2.309 53 L HA 0.511 4.851 4.340 0.001 0.000 0.282 53 L C 1.417 178.004 176.870 -0.471 0.000 1.036 53 L CA -0.409 54.121 54.840 -0.518 0.000 0.806 53 L CB 0.883 42.715 42.059 -0.378 0.000 1.220 53 L HN 1.013 nan 8.230 nan 0.000 0.429 54 G N 1.224 109.574 108.800 -0.750 0.000 2.590 54 G HA2 -0.021 3.940 3.960 0.001 0.000 0.276 54 G HA3 -0.021 3.940 3.960 0.001 0.000 0.276 54 G C 0.053 174.998 174.900 0.075 0.000 1.337 54 G CA -0.303 44.618 45.100 -0.298 0.000 1.030 54 G HN 0.725 nan 8.290 nan 0.000 0.534 55 H N 0.047 119.182 119.070 0.110 0.000 2.790 55 H HA 0.050 4.607 4.556 0.001 0.000 0.358 55 H C 0.275 175.746 175.328 0.238 0.000 1.103 55 H CA 0.669 56.796 56.048 0.132 0.000 1.426 55 H CB 0.215 30.020 29.762 0.070 0.000 1.424 55 H HN 0.696 nan 8.280 nan 0.000 0.599 56 E N 2.303 122.304 120.200 -0.332 0.000 2.297 56 E HA -0.272 4.078 4.350 0.001 0.000 0.228 56 E C -1.423 175.068 176.600 -0.181 0.000 1.213 56 E CA 0.358 56.590 56.400 -0.279 0.000 0.712 56 E CB -0.991 28.531 29.700 -0.298 0.000 1.202 56 E HN 0.424 nan 8.360 nan 0.000 0.376 57 W N 0.331 121.529 121.300 -0.170 0.000 2.529 57 W HA 0.628 5.289 4.660 0.001 0.000 0.321 57 W C -0.166 176.375 176.519 0.037 0.000 1.047 57 W CA -0.151 57.210 57.345 0.026 0.000 1.216 57 W CB 1.736 31.222 29.460 0.043 0.000 1.357 57 W HN 0.189 nan 8.180 nan 0.000 0.489 58 A N 4.341 127.352 122.820 0.318 0.000 2.375 58 A HA 0.818 5.138 4.320 0.001 0.000 0.295 58 A C -1.868 175.751 177.584 0.058 0.000 1.066 58 A CA -0.435 51.654 52.037 0.087 0.000 0.722 58 A CB 0.745 19.684 19.000 -0.102 0.000 1.206 58 A HN 0.475 nan 8.150 nan 0.000 0.435 59 L N 0.717 121.976 121.223 0.061 0.000 2.303 59 L HA 0.762 5.103 4.340 0.001 0.000 0.256 59 L C -0.019 176.887 176.870 0.061 0.000 1.034 59 L CA -0.245 54.619 54.840 0.041 0.000 0.832 59 L CB 2.051 44.118 42.059 0.013 0.000 1.403 59 L HN 0.887 nan 8.230 nan 0.000 0.419 60 Q N -0.866 118.991 119.800 0.094 0.000 2.482 60 Q HA 0.346 4.687 4.340 0.001 0.000 0.286 60 Q C -1.732 174.322 176.000 0.090 0.000 1.007 60 Q CA -0.786 55.075 55.803 0.095 0.000 0.801 60 Q CB 2.247 31.070 28.738 0.141 0.000 1.455 60 Q HN 0.662 nan 8.270 nan 0.000 0.398 61 H N 2.616 121.654 119.070 -0.055 0.000 2.652 61 H HA 0.218 4.775 4.556 0.001 0.000 0.298 61 H C -1.875 173.185 175.328 -0.447 0.000 1.076 61 H CA -1.870 54.150 56.048 -0.047 0.000 1.360 61 H CB 1.347 31.076 29.762 -0.056 0.000 1.421 61 H HN 0.410 nan 8.280 nan 0.000 0.464 62 P HA -0.247 nan 4.420 nan 0.000 0.216 62 P C 1.216 178.474 177.300 -0.070 0.000 1.157 62 P CA 1.102 63.903 63.100 -0.499 0.000 0.880 62 P CB 0.246 31.567 31.700 -0.630 0.000 0.791 63 L N -0.716 120.660 121.223 0.254 0.000 2.191 63 L HA -0.167 4.174 4.340 0.001 0.000 0.212 63 L C 1.824 178.807 176.870 0.188 0.000 1.103 63 L CA 1.687 56.686 54.840 0.265 0.000 0.769 63 L CB -1.206 40.985 42.059 0.220 0.000 0.908 63 L HN -0.036 nan 8.230 nan 0.000 0.438 64 D N -1.249 119.199 120.400 0.079 0.000 2.178 64 D HA -0.216 4.424 4.640 0.001 0.000 0.201 64 D C 2.185 178.650 176.300 0.275 0.000 0.980 64 D CA 1.337 55.413 54.000 0.126 0.000 0.842 64 D CB -0.116 40.713 40.800 0.047 0.000 0.948 64 D HN 0.449 nan 8.370 nan 0.000 0.472 65 Y N 0.732 121.172 120.300 0.232 0.000 2.163 65 Y HA -0.173 4.378 4.550 0.001 0.000 0.288 65 Y C 2.646 178.797 175.900 0.419 0.000 1.136 65 Y CA 0.610 58.911 58.100 0.335 0.000 1.147 65 Y CB -0.243 38.390 38.460 0.289 0.000 0.987 65 Y HN -0.098 nan 8.280 nan 0.000 0.509 66 V N -1.558 118.655 119.914 0.499 0.000 2.626 66 V HA -0.188 3.933 4.120 0.001 0.000 0.252 66 V C 1.385 177.645 176.094 0.276 0.000 1.067 66 V CA 1.743 64.241 62.300 0.331 0.000 1.081 66 V CB -0.549 31.423 31.823 0.248 0.000 0.686 66 V HN 0.357 nan 8.190 nan 0.000 0.468 67 E N 0.443 120.812 120.200 0.282 0.000 2.274 67 E HA -0.063 4.288 4.350 0.001 0.000 0.194 67 E C 2.228 178.964 176.600 0.228 0.000 0.996 67 E CA 1.170 57.701 56.400 0.217 0.000 0.840 67 E CB -0.015 29.802 29.700 0.194 0.000 0.772 67 E HN 0.603 nan 8.360 nan 0.000 0.491 68 V N 1.190 121.301 119.914 0.329 0.000 2.379 68 V HA -0.232 3.889 4.120 0.001 0.000 0.245 68 V C 2.167 178.353 176.094 0.153 0.000 1.044 68 V CA 1.348 63.809 62.300 0.268 0.000 1.036 68 V CB -0.317 31.715 31.823 0.347 0.000 0.664 68 V HN 0.252 nan 8.190 nan 0.000 0.453 69 L N 0.591 121.933 121.223 0.198 0.000 2.027 69 L HA -0.131 4.210 4.340 0.001 0.000 0.206 69 L C 2.624 179.537 176.870 0.071 0.000 1.074 69 L CA 2.047 56.963 54.840 0.127 0.000 0.745 69 L CB -1.165 40.992 42.059 0.162 0.000 0.898 69 L HN 0.532 nan 8.230 nan 0.000 0.433 70 T N -5.321 109.283 114.554 0.083 0.000 3.160 70 T HA 0.006 4.357 4.350 0.001 0.000 0.257 70 T C 1.321 176.030 174.700 0.015 0.000 1.147 70 T CA 1.106 63.235 62.100 0.048 0.000 1.064 70 T CB -0.085 68.820 68.868 0.062 0.000 0.949 70 T HN 0.249 nan 8.240 nan 0.000 0.526 71 T N 0.289 114.843 114.554 0.000 0.000 3.182 71 T HA 0.192 4.543 4.350 0.001 0.000 0.244 71 T C 2.204 176.765 174.700 -0.232 0.000 0.981 71 T CA 0.333 62.387 62.100 -0.076 0.000 1.182 71 T CB -0.225 68.630 68.868 -0.021 0.000 1.043 71 T HN 0.293 nan 8.240 nan 0.000 0.424 72 S N 1.462 117.047 115.700 -0.193 0.000 2.371 72 S HA -0.028 4.443 4.470 0.001 0.000 0.224 72 S C 2.298 176.811 174.600 -0.145 0.000 1.029 72 S CA 0.748 58.791 58.200 -0.262 0.000 0.978 72 S CB -0.396 62.805 63.200 0.002 0.000 0.833 72 S HN 0.199 nan 8.310 nan 0.000 0.466 73 V N 2.781 122.655 119.914 -0.067 0.000 2.407 73 V HA -0.102 4.018 4.120 0.001 0.000 0.248 73 V C -0.832 175.233 176.094 -0.050 0.000 1.055 73 V CA 1.703 63.981 62.300 -0.037 0.000 1.049 73 V CB -1.650 30.169 31.823 -0.006 0.000 0.662 73 V HN 0.344 nan 8.190 nan 0.000 0.455 74 P HA -0.086 nan 4.420 nan 0.000 0.216 74 P C 1.762 179.016 177.300 -0.076 0.000 1.153 74 P CA 1.835 64.900 63.100 -0.058 0.000 0.844 74 P CB -0.150 31.516 31.700 -0.056 0.000 0.787 75 A N -0.483 122.250 122.820 -0.145 0.000 1.908 75 A HA -0.172 4.149 4.320 0.001 0.000 0.218 75 A C 2.292 179.850 177.584 -0.043 0.000 1.181 75 A CA 1.906 53.865 52.037 -0.129 0.000 0.627 75 A CB -1.783 17.016 19.000 -0.334 0.000 0.818 75 A HN 0.042 nan 8.150 nan 0.000 0.445 76 V N -0.989 118.902 119.914 -0.038 0.000 2.515 76 V HA -0.230 3.891 4.120 0.001 0.000 0.250 76 V C 2.513 178.587 176.094 -0.034 0.000 1.058 76 V CA 2.058 64.347 62.300 -0.018 0.000 1.064 76 V CB -0.610 31.202 31.823 -0.019 0.000 0.675 76 V HN 0.531 nan 8.190 nan 0.000 0.461 77 M N 0.879 120.462 119.600 -0.030 0.000 2.132 77 M HA -0.080 4.401 4.480 0.001 0.000 0.263 77 M C 2.344 178.634 176.300 -0.017 0.000 1.065 77 M CA 2.309 57.597 55.300 -0.020 0.000 1.122 77 M CB -0.884 31.711 32.600 -0.009 0.000 1.365 77 M HN 0.346 nan 8.290 nan 0.000 0.411 78 K N 0.340 120.730 120.400 -0.016 0.000 2.020 78 K HA -0.028 4.292 4.320 0.001 0.000 0.212 78 K C 1.371 177.965 176.600 -0.010 0.000 1.050 78 K CA 2.170 58.451 56.287 -0.009 0.000 0.929 78 K CB -2.007 30.489 32.500 -0.007 0.000 0.714 78 K HN 0.643 nan 8.250 nan 0.000 0.443 84 A N -0.337 122.543 122.820 0.101 0.000 2.017 84 A HA 0.662 4.983 4.320 0.001 0.000 0.194 84 A C 1.318 178.934 177.584 0.054 0.000 1.985 84 A CA 1.651 53.725 52.037 0.061 0.000 1.584 84 A CB -0.177 18.848 19.000 0.042 0.000 1.244 84 A HN 0.854 nan 8.150 nan 0.000 0.587 85 D N 0.094 120.517 120.400 0.038 0.000 2.670 85 D HA 0.415 5.056 4.640 0.001 0.000 0.255 85 D C -0.327 175.979 176.300 0.011 0.000 1.286 85 D CA 0.157 54.171 54.000 0.023 0.000 0.830 85 D CB -0.083 40.723 40.800 0.010 0.000 1.065 85 D HN 0.303 nan 8.370 nan 0.000 0.486 86 D N 0.252 120.665 120.400 0.021 0.000 2.525 86 D HA 0.162 4.802 4.640 0.001 0.000 0.229 86 D C -0.042 176.255 176.300 -0.004 0.000 1.202 86 D CA 0.212 54.188 54.000 -0.039 0.000 0.828 86 D CB 1.589 42.325 40.800 -0.107 0.000 1.008 86 D HN 0.260 nan 8.370 nan 0.000 0.493 87 V N 2.380 122.330 119.914 0.060 0.000 2.239 87 V HA 0.110 4.231 4.120 0.001 0.000 0.267 87 V C 1.151 177.273 176.094 0.047 0.000 1.056 87 V CA -0.333 62.025 62.300 0.097 0.000 0.830 87 V CB 1.388 33.275 31.823 0.107 0.000 1.090 87 V HN 0.003 nan 8.190 nan 0.000 0.459 88 I N 3.315 123.901 120.570 0.026 0.000 3.444 88 I HA 0.409 4.580 4.170 0.001 0.000 0.287 88 I C 1.027 177.160 176.117 0.027 0.000 1.302 88 I CA 0.589 61.896 61.300 0.011 0.000 1.368 88 I CB -0.326 37.663 38.000 -0.018 0.000 1.048 88 I HN 0.654 nan 8.210 nan 0.000 0.487 89 G N -0.251 108.577 108.800 0.047 0.000 2.387 89 G HA2 0.427 4.388 3.960 0.001 0.000 0.294 89 G HA3 0.427 4.388 3.960 0.001 0.000 0.294 89 G C -1.874 173.065 174.900 0.065 0.000 1.509 89 G CA -0.505 44.627 45.100 0.053 0.000 0.806 89 G HN 0.046 nan 8.290 nan 0.000 0.546 90 I N 0.076 120.684 120.570 0.064 0.000 2.686 90 I HA 0.819 4.990 4.170 0.001 0.000 0.295 90 I C 0.013 176.179 176.117 0.082 0.000 1.114 90 I CA -0.671 60.671 61.300 0.069 0.000 1.038 90 I CB 2.219 40.253 38.000 0.057 0.000 1.238 90 I HN 1.014 nan 8.210 nan 0.000 0.420 91 G N 5.435 114.292 108.800 0.096 0.000 2.672 91 G HA2 0.671 4.632 3.960 0.001 0.000 0.292 91 G HA3 0.671 4.632 3.960 0.001 0.000 0.292 91 G C -1.574 173.402 174.900 0.127 0.000 1.375 91 G CA -0.487 44.683 45.100 0.117 0.000 0.890 91 G HN 0.783 nan 8.290 nan 0.000 0.476 92 V N -1.410 118.597 119.914 0.155 0.000 3.040 92 V HA 0.940 5.060 4.120 0.001 0.000 0.312 92 V C -1.386 174.829 176.094 0.202 0.000 1.115 92 V CA -1.045 61.373 62.300 0.197 0.000 0.998 92 V CB 2.069 34.094 31.823 0.336 0.000 1.042 92 V HN 1.019 nan 8.190 nan 0.000 0.433 93 D N 0.946 121.464 120.400 0.195 0.000 2.619 93 D HA 0.707 5.348 4.640 0.001 0.000 0.241 93 D C -1.167 175.261 176.300 0.213 0.000 1.087 93 D CA -0.370 53.740 54.000 0.184 0.000 0.851 93 D CB 2.155 43.030 40.800 0.124 0.000 1.474 93 D HN 0.565 nan 8.370 nan 0.000 0.478 94 F N 0.248 120.268 119.950 0.117 0.000 2.620 94 F HA 0.497 5.025 4.527 0.001 0.000 0.320 94 F C 0.146 175.982 175.800 0.060 0.000 1.069 94 F CA -0.743 57.320 58.000 0.105 0.000 0.953 94 F CB 2.386 41.389 39.000 0.004 0.000 1.322 94 F HN 0.468 nan 8.300 nan 0.000 0.479 95 T N 1.367 116.172 114.554 0.418 0.000 2.888 95 T HA 0.536 4.887 4.350 0.001 0.000 0.301 95 T C -0.063 174.777 174.700 0.234 0.000 1.001 95 T CA -0.679 61.526 62.100 0.175 0.000 1.147 95 T CB 0.845 69.832 68.868 0.198 0.000 0.931 95 T HN 0.761 nan 8.240 nan 0.000 0.541 96 A N 2.758 125.640 122.820 0.103 0.000 2.363 96 A HA 0.518 4.839 4.320 0.001 0.000 0.270 96 A C 1.024 178.736 177.584 0.214 0.000 1.121 96 A CA -0.586 51.532 52.037 0.136 0.000 0.800 96 A CB -0.693 18.368 19.000 0.102 0.000 1.052 96 A HN 1.902 nan 8.150 nan 0.000 0.493 97 C N 1.913 121.316 119.300 0.172 0.000 3.827 97 C HA -0.102 4.359 4.460 0.001 0.000 0.304 97 C C 0.468 175.609 174.990 0.252 0.000 1.201 97 C CA 0.958 60.097 59.018 0.202 0.000 2.253 97 C CB -2.741 25.173 27.740 0.290 0.000 1.398 97 C HN 1.021 nan 8.230 nan 0.000 0.601 98 T N 4.942 119.591 114.554 0.158 0.000 3.068 98 T HA 0.543 4.893 4.350 0.001 0.000 0.364 98 T C -0.089 174.616 174.700 0.008 0.000 1.161 98 T CA -0.002 62.185 62.100 0.146 0.000 1.155 98 T CB 0.523 69.509 68.868 0.196 0.000 1.060 98 T HN 0.758 nan 8.240 nan 0.000 0.513 99 M N 2.798 122.411 119.600 0.021 0.000 2.654 99 M HA 0.911 5.391 4.480 0.001 0.000 0.310 99 M C -0.965 175.323 176.300 -0.020 0.000 1.211 99 M CA -0.917 54.379 55.300 -0.007 0.000 0.947 99 M CB 1.220 33.830 32.600 0.017 0.000 1.647 99 M HN 0.386 nan 8.290 nan 0.000 0.481 100 L N -1.661 119.547 121.223 -0.026 0.000 2.506 100 L HA 0.885 5.226 4.340 0.001 0.000 0.257 100 L C -3.002 173.862 176.870 -0.011 0.000 0.964 100 L CA -1.879 52.917 54.840 -0.073 0.000 0.836 100 L CB 2.312 44.203 42.059 -0.279 0.000 1.384 100 L HN 0.546 nan 8.230 nan 0.000 0.410 101 P HA 0.415 nan 4.420 nan 0.000 0.292 101 P C -0.966 176.177 177.300 -0.262 0.000 1.283 101 P CA -0.418 62.604 63.100 -0.130 0.000 0.835 101 P CB 2.242 33.893 31.700 -0.083 0.000 1.017 102 V N -0.098 119.640 119.914 -0.294 0.000 3.126 102 V HA 0.630 4.751 4.120 0.001 0.000 0.314 102 V C -0.189 175.760 176.094 -0.243 0.000 1.138 102 V CA -1.048 61.116 62.300 -0.227 0.000 1.034 102 V CB 1.614 33.377 31.823 -0.100 0.000 1.075 102 V HN 0.532 nan 8.190 nan 0.000 0.442 103 D N 0.527 120.821 120.400 -0.178 0.000 2.507 103 D HA 0.265 4.905 4.640 0.001 0.000 0.280 103 D C 1.030 177.253 176.300 -0.128 0.000 1.219 103 D CA -0.002 53.896 54.000 -0.170 0.000 1.085 103 D CB 0.210 40.928 40.800 -0.136 0.000 1.134 103 D HN 0.617 nan 8.370 nan 0.000 0.583 104 E N -0.335 119.798 120.200 -0.111 0.000 2.204 104 E HA -0.182 4.169 4.350 0.001 0.000 0.194 104 E C 0.887 177.451 176.600 -0.060 0.000 0.989 104 E CA 1.045 57.392 56.400 -0.088 0.000 0.824 104 E CB -0.441 29.213 29.700 -0.078 0.000 0.756 104 E HN 0.497 nan 8.360 nan 0.000 0.477 105 E N 0.058 120.230 120.200 -0.047 0.000 2.479 105 E HA 0.229 4.580 4.350 0.001 0.000 0.193 105 E C 0.753 177.350 176.600 -0.006 0.000 1.049 105 E CA 0.591 56.975 56.400 -0.026 0.000 0.870 105 E CB 0.460 30.148 29.700 -0.019 0.000 0.944 105 E HN 0.406 nan 8.360 nan 0.000 0.492 106 G N 0.960 109.758 108.800 -0.003 0.000 2.182 106 G HA2 -0.245 3.716 3.960 0.001 0.000 0.248 106 G HA3 -0.245 3.716 3.960 0.001 0.000 0.248 106 G C -0.167 174.837 174.900 0.174 0.000 1.042 106 G CA -0.141 44.995 45.100 0.060 0.000 0.775 106 G HN 0.060 nan 8.290 nan 0.000 0.501 107 Q N -0.645 119.210 119.800 0.091 0.000 2.306 107 Q HA 0.507 4.848 4.340 0.001 0.000 0.265 107 Q C -2.576 173.391 176.000 -0.055 0.000 1.022 107 Q CA -2.207 53.665 55.803 0.115 0.000 0.853 107 Q CB 1.845 30.614 28.738 0.052 0.000 1.327 107 Q HN 0.161 nan 8.270 nan 0.000 0.449 108 P HA 0.072 nan 4.420 nan 0.000 0.268 108 P C 0.680 177.795 177.300 -0.309 0.000 1.204 108 P CA 0.121 63.006 63.100 -0.359 0.000 0.768 108 P CB 0.574 31.951 31.700 -0.539 0.000 0.842 109 L N 2.830 123.865 121.223 -0.313 0.000 2.131 109 L HA -0.200 4.141 4.340 0.001 0.000 0.210 109 L C 2.270 178.970 176.870 -0.285 0.000 1.092 109 L CA 1.618 56.287 54.840 -0.285 0.000 0.759 109 L CB -0.974 40.885 42.059 -0.334 0.000 0.903 109 L HN 0.533 nan 8.230 nan 0.000 0.435 110 C N -1.310 117.692 119.300 -0.496 0.000 2.413 110 C HA -0.072 4.389 4.460 0.001 0.000 0.292 110 C C 2.098 176.683 174.990 -0.676 0.000 1.435 110 C CA -0.168 58.340 59.018 -0.850 0.000 1.791 110 C CB -1.291 25.379 27.740 -1.784 0.000 1.784 110 C HN 0.410 nan 8.230 nan 0.000 0.548 111 L N -0.423 120.546 121.223 -0.423 0.000 2.607 111 L HA 0.419 4.760 4.340 0.001 0.000 0.228 111 L C 0.714 177.512 176.870 -0.121 0.000 1.123 111 L CA 0.501 55.189 54.840 -0.254 0.000 0.890 111 L CB -0.547 41.404 42.059 -0.182 0.000 1.103 111 L HN 0.235 nan 8.230 nan 0.000 0.468 112 L N -1.353 119.820 121.223 -0.083 0.000 2.375 112 L HA 0.381 4.722 4.340 0.001 0.000 0.271 112 L C 1.584 178.467 176.870 0.022 0.000 1.107 112 L CA 0.416 55.264 54.840 0.014 0.000 0.806 112 L CB 0.847 42.980 42.059 0.124 0.000 1.146 112 L HN 0.080 nan 8.230 nan 0.000 0.447 113 A N 2.208 125.037 122.820 0.014 0.000 1.859 113 A HA -0.204 4.117 4.320 0.001 0.000 0.217 113 A C 1.897 179.450 177.584 -0.051 0.000 1.198 113 A CA 1.480 53.510 52.037 -0.011 0.000 0.629 113 A CB -0.488 18.505 19.000 -0.012 0.000 0.830 113 A HN 0.824 nan 8.150 nan 0.000 0.446 114 Q N -1.233 118.504 119.800 -0.105 0.000 2.030 114 Q HA -0.206 4.134 4.340 0.001 0.000 0.204 114 Q C 1.943 177.680 176.000 -0.438 0.000 0.986 114 Q CA 2.060 57.664 55.803 -0.331 0.000 0.843 114 Q CB -0.517 27.874 28.738 -0.578 0.000 0.904 114 Q HN 0.889 nan 8.270 nan 0.000 0.420 115 Y N 0.558 120.843 120.300 -0.025 0.000 2.544 115 Y HA -0.027 4.523 4.550 0.001 0.000 0.286 115 Y C 2.522 178.409 175.900 -0.022 0.000 1.141 115 Y CA 1.036 59.124 58.100 -0.020 0.000 1.299 115 Y CB -0.733 37.697 38.460 -0.051 0.000 1.030 115 Y HN 0.131 nan 8.280 nan 0.000 0.543 116 K N 0.565 120.991 120.400 0.044 0.000 2.293 116 K HA -0.219 4.102 4.320 0.001 0.000 0.204 116 K C 1.021 177.758 176.600 0.229 0.000 1.045 116 K CA 2.308 58.620 56.287 0.043 0.000 0.933 116 K CB -1.045 31.472 32.500 0.028 0.000 0.736 116 K HN 0.509 nan 8.250 nan 0.000 0.463 117 D N -1.141 119.354 120.400 0.158 0.000 2.407 117 D HA 0.038 4.679 4.640 0.001 0.000 0.208 117 D C 0.096 176.488 176.300 0.152 0.000 1.083 117 D CA -0.361 53.735 54.000 0.159 0.000 0.844 117 D CB 0.265 41.104 40.800 0.064 0.000 0.967 117 D HN 0.319 nan 8.370 nan 0.000 0.506 118 N N 1.126 119.938 118.700 0.187 0.000 2.430 118 N HA 0.083 4.823 4.740 0.001 0.000 0.265 118 N C -1.864 173.810 175.510 0.273 0.000 1.100 118 N CA -1.833 51.330 53.050 0.187 0.000 0.961 118 N CB 1.718 40.349 38.487 0.239 0.000 1.075 118 N HN -0.192 nan 8.380 nan 0.000 0.478 119 P HA -0.108 nan 4.420 nan 0.000 0.217 119 P C 0.240 177.782 177.300 0.404 0.000 1.148 119 P CA 1.433 64.617 63.100 0.141 0.000 0.828 119 P CB 0.048 31.582 31.700 -0.277 0.000 0.783 120 H N -2.002 117.318 119.070 0.417 0.000 2.562 120 H HA 0.119 4.676 4.556 0.001 0.000 0.272 120 H C 1.220 176.705 175.328 0.261 0.000 1.019 120 H CA 0.126 56.387 56.048 0.354 0.000 1.160 120 H CB -0.067 29.882 29.762 0.312 0.000 1.334 120 H HN 0.110 nan 8.280 nan 0.000 0.611 121 S N -0.609 115.320 115.700 0.383 0.000 2.517 121 S HA -0.001 4.470 4.470 0.001 0.000 0.214 121 S C 0.033 174.628 174.600 -0.007 0.000 0.991 121 S CA -0.162 58.131 58.200 0.155 0.000 0.906 121 S CB 0.288 63.560 63.200 0.119 0.000 0.789 121 S HN 0.309 nan 8.310 nan 0.000 0.513 122 W N 1.118 122.422 121.300 0.006 0.000 2.181 122 W HA 0.487 5.148 4.660 0.001 0.000 0.415 122 W C 0.072 176.529 176.519 -0.104 0.000 1.689 122 W CA -0.792 56.500 57.345 -0.090 0.000 1.859 122 W CB -0.107 29.306 29.460 -0.079 0.000 1.425 122 W HN -0.306 nan 8.180 nan 0.000 0.713 123 V N 2.234 122.240 119.914 0.154 0.000 2.508 123 V HA 0.052 4.172 4.120 0.001 0.000 0.281 123 V C 0.110 176.228 176.094 0.040 0.000 1.041 123 V CA -0.603 61.720 62.300 0.039 0.000 1.016 123 V CB 0.097 31.935 31.823 0.025 0.000 0.984 123 V HN 0.261 nan 8.190 nan 0.000 0.478 124 K N 5.124 125.504 120.400 -0.034 0.000 2.266 124 K HA 0.324 4.645 4.320 0.001 0.000 0.274 124 K C -0.362 176.225 176.600 -0.021 0.000 1.090 124 K CA -0.714 55.480 56.287 -0.156 0.000 0.925 124 K CB 1.100 33.421 32.500 -0.298 0.000 1.225 124 K HN 0.432 nan 8.250 nan 0.000 0.458 125 L N 4.001 125.232 121.223 0.014 0.000 2.499 125 L HA -0.069 4.272 4.340 0.001 0.000 0.281 125 L C 1.504 178.408 176.870 0.056 0.000 1.234 125 L CA 0.318 55.208 54.840 0.083 0.000 0.839 125 L CB 0.236 42.285 42.059 -0.017 0.000 1.104 125 L HN 0.733 nan 8.230 nan 0.000 0.500 126 W N 2.503 123.881 121.300 0.131 0.000 2.350 126 W HA -0.219 4.442 4.660 0.001 0.000 0.289 126 W C 1.459 177.999 176.519 0.036 0.000 1.215 126 W CA 1.128 58.555 57.345 0.136 0.000 1.236 126 W CB -0.710 28.863 29.460 0.190 0.000 1.130 126 W HN 0.753 nan 8.180 nan 0.000 0.541 127 K N 1.005 120.775 120.400 -1.050 0.000 2.504 127 K HA -0.199 4.122 4.320 0.001 0.000 0.195 127 K C 0.371 176.364 176.600 -1.011 0.000 1.036 127 K CA 0.331 55.870 56.287 -1.246 0.000 0.984 127 K CB -0.535 31.135 32.500 -1.383 0.000 0.788 127 K HN 0.053 nan 8.250 nan 0.000 0.488 128 H N 0.818 119.492 119.070 -0.660 0.000 3.160 128 H HA -0.003 4.554 4.556 0.001 0.000 0.257 128 H C -0.065 174.970 175.328 -0.488 0.000 1.140 128 H CA 0.258 56.002 56.048 -0.508 0.000 1.492 128 H CB 0.179 29.729 29.762 -0.354 0.000 1.529 128 H HN 0.198 nan 8.280 nan 0.000 0.490 129 H N 3.987 122.767 119.070 -0.484 0.000 2.520 129 H HA 0.191 4.748 4.556 0.001 0.000 0.284 129 H C 1.752 176.803 175.328 -0.462 0.000 1.037 129 H CA 0.623 56.450 56.048 -0.369 0.000 1.168 129 H CB 0.259 29.879 29.762 -0.237 0.000 1.497 129 H HN 0.777 nan 8.280 nan 0.000 0.547 130 A N 1.190 123.543 122.820 -0.778 0.000 2.024 130 A HA -0.038 4.283 4.320 0.001 0.000 0.220 130 A C 2.179 179.600 177.584 -0.271 0.000 1.164 130 A CA 1.345 53.056 52.037 -0.543 0.000 0.643 130 A CB -0.303 18.169 19.000 -0.880 0.000 0.806 130 A HN 0.347 nan 8.150 nan 0.000 0.451 131 A N -1.096 121.577 122.820 -0.244 0.000 2.412 131 A HA 0.240 4.561 4.320 0.001 0.000 0.253 131 A C 1.569 179.094 177.584 -0.098 0.000 1.334 131 A CA 0.086 52.050 52.037 -0.121 0.000 0.929 131 A CB -0.335 18.629 19.000 -0.061 0.000 0.983 131 A HN 0.396 nan 8.150 nan 0.000 0.508 132 Q N 1.514 121.256 119.800 -0.096 0.000 2.077 132 Q HA -0.225 4.115 4.340 0.001 0.000 0.206 132 Q C 1.494 177.445 176.000 -0.083 0.000 0.989 132 Q CA 2.143 57.898 55.803 -0.080 0.000 0.853 132 Q CB -0.295 28.399 28.738 -0.073 0.000 0.907 132 Q HN 0.911 nan 8.270 nan 0.000 0.418 133 D N -0.048 120.292 120.400 -0.100 0.000 2.133 133 D HA -0.206 4.435 4.640 0.001 0.000 0.195 133 D C 1.463 177.655 176.300 -0.180 0.000 0.997 133 D CA 1.020 54.945 54.000 -0.126 0.000 0.840 133 D CB -0.157 40.559 40.800 -0.140 0.000 0.947 133 D HN 0.112 nan 8.370 nan 0.000 0.452 134 K N 1.104 121.363 120.400 -0.235 0.000 2.057 134 K HA 0.067 4.388 4.320 0.001 0.000 0.206 134 K C 2.369 178.989 176.600 0.033 0.000 1.050 134 K CA 1.121 57.223 56.287 -0.308 0.000 0.935 134 K CB -0.726 31.599 32.500 -0.292 0.000 0.715 134 K HN 0.253 nan 8.250 nan 0.000 0.439 135 A N 2.156 124.990 122.820 0.024 0.000 1.940 135 A HA -0.208 4.113 4.320 0.001 0.000 0.219 135 A C 1.975 179.595 177.584 0.061 0.000 1.176 135 A CA 1.706 53.778 52.037 0.057 0.000 0.631 135 A CB -0.473 18.510 19.000 -0.028 0.000 0.814 135 A HN 0.264 nan 8.150 nan 0.000 0.446 136 N N 0.492 119.200 118.700 0.014 0.000 2.058 136 N HA -0.106 4.635 4.740 0.001 0.000 0.191 136 N C 1.939 177.491 175.510 0.070 0.000 1.037 136 N CA 1.787 54.847 53.050 0.017 0.000 0.848 136 N CB -0.676 37.798 38.487 -0.021 0.000 1.021 136 N HN 0.438 nan 8.380 nan 0.000 0.422 137 A N 1.093 123.967 122.820 0.091 0.000 1.908 137 A HA -0.096 4.225 4.320 0.001 0.000 0.218 137 A C 2.333 180.088 177.584 0.284 0.000 1.181 137 A CA 1.095 53.245 52.037 0.189 0.000 0.627 137 A CB -0.811 18.326 19.000 0.229 0.000 0.818 137 A HN 0.274 nan 8.150 nan 0.000 0.445 138 I N 0.166 120.962 120.570 0.377 0.000 2.264 138 I HA -0.288 3.883 4.170 0.001 0.000 0.248 138 I C 1.994 178.301 176.117 0.316 0.000 1.111 138 I CA 1.316 62.831 61.300 0.359 0.000 1.382 138 I CB -0.458 37.759 38.000 0.361 0.000 1.060 138 I HN 0.320 nan 8.210 nan 0.000 0.418 139 N N 0.547 119.373 118.700 0.210 0.000 2.270 139 N HA -0.120 4.620 4.740 0.001 0.000 0.181 139 N C 1.709 177.279 175.510 0.100 0.000 1.016 139 N CA 0.979 54.114 53.050 0.142 0.000 0.870 139 N CB -0.125 38.413 38.487 0.086 0.000 0.979 139 N HN 0.460 nan 8.380 nan 0.000 0.431 140 E N 0.376 120.636 120.200 0.100 0.000 2.031 140 E HA -0.149 4.202 4.350 0.001 0.000 0.193 140 E C 1.769 178.413 176.600 0.074 0.000 0.994 140 E CA 1.010 57.450 56.400 0.067 0.000 0.800 140 E CB -0.075 29.663 29.700 0.062 0.000 0.752 140 E HN 0.109 nan 8.360 nan 0.000 0.447 141 M N 0.798 120.464 119.600 0.109 0.000 2.159 141 M HA -0.091 4.390 4.480 0.001 0.000 0.263 141 M C 2.023 178.430 176.300 0.180 0.000 1.063 141 M CA 1.589 56.952 55.300 0.104 0.000 1.110 141 M CB -0.229 32.385 32.600 0.022 0.000 1.374 141 M HN 0.095 nan 8.290 nan 0.000 0.411 142 A N -0.363 122.596 122.820 0.233 0.000 1.933 142 A HA -0.049 4.272 4.320 0.001 0.000 0.218 142 A C 2.120 179.652 177.584 -0.086 0.000 1.175 142 A CA 2.269 54.322 52.037 0.027 0.000 0.628 142 A CB -1.434 17.441 19.000 -0.210 0.000 0.814 142 A HN 0.603 nan 8.150 nan 0.000 0.444 143 E N -0.473 119.708 120.200 -0.032 0.000 2.015 143 E HA -0.140 4.211 4.350 0.001 0.000 0.191 143 E C 2.330 178.913 176.600 -0.027 0.000 0.991 143 E CA 2.587 58.961 56.400 -0.043 0.000 0.802 143 E CB -1.319 28.370 29.700 -0.019 0.000 0.759 143 E HN 0.827 nan 8.360 nan 0.000 0.447 144 K N 0.588 120.988 120.400 -0.000 0.000 2.044 144 K HA -0.131 4.189 4.320 0.001 0.000 0.210 144 K C 2.322 178.922 176.600 0.000 0.000 1.049 144 K CA 1.913 58.201 56.287 0.002 0.000 0.927 144 K CB -0.634 31.874 32.500 0.012 0.000 0.713 144 K HN 0.401 nan 8.250 nan 0.000 0.443 145 R N -1.599 118.911 120.500 0.016 0.000 2.153 145 R HA 0.065 4.405 4.340 0.001 0.000 0.218 145 R C 1.028 177.316 176.300 -0.022 0.000 1.072 145 R CA 0.859 56.972 56.100 0.021 0.000 0.990 145 R CB -0.086 30.271 30.300 0.095 0.000 0.889 145 R HN 0.701 nan 8.270 nan 0.000 0.452 146 G N 1.784 110.546 108.800 -0.064 0.000 2.289 146 G HA2 -0.209 3.752 3.960 0.001 0.000 0.280 146 G HA3 -0.209 3.752 3.960 0.001 0.000 0.280 146 G C -0.644 174.163 174.900 -0.155 0.000 1.089 146 G CA -0.135 44.905 45.100 -0.100 0.000 0.939 146 G HN 0.229 nan 8.290 nan 0.000 0.499 147 E N -0.377 119.661 120.200 -0.270 0.000 2.384 147 E HA 0.430 4.781 4.350 0.001 0.000 0.266 147 E C 1.578 177.925 176.600 -0.423 0.000 1.012 147 E CA 0.369 56.528 56.400 -0.401 0.000 0.901 147 E CB 0.966 30.185 29.700 -0.803 0.000 0.967 147 E HN 0.593 nan 8.360 nan 0.000 0.435 148 A N 3.743 126.418 122.820 -0.242 0.000 2.019 148 A HA -0.199 4.122 4.320 0.001 0.000 0.219 148 A C 1.701 179.196 177.584 -0.148 0.000 1.164 148 A CA 1.388 53.323 52.037 -0.171 0.000 0.644 148 A CB -0.755 18.176 19.000 -0.116 0.000 0.805 148 A HN 0.670 nan 8.150 nan 0.000 0.449 149 F N -1.603 118.271 119.950 -0.127 0.000 2.367 149 F HA 0.078 4.605 4.527 0.001 0.000 0.298 149 F C 1.522 177.387 175.800 0.109 0.000 1.094 149 F CA 0.609 58.592 58.000 -0.029 0.000 1.409 149 F CB -0.544 38.450 39.000 -0.010 0.000 1.064 149 F HN 0.099 nan 8.300 nan 0.000 0.528 150 L N 2.166 123.083 121.223 -0.509 0.000 2.021 150 L HA -0.108 4.232 4.340 0.001 0.000 0.215 150 L C -0.786 176.123 176.870 0.064 0.000 1.074 150 L CA 2.268 56.980 54.840 -0.213 0.000 0.760 150 L CB -1.847 39.992 42.059 -0.367 0.000 0.889 150 L HN 0.031 nan 8.230 nan 0.000 0.433 151 P HA -0.067 nan 4.420 nan 0.000 0.233 151 P C 1.171 178.484 177.300 0.021 0.000 1.167 151 P CA 1.073 64.182 63.100 0.015 0.000 0.770 151 P CB -0.022 31.663 31.700 -0.025 0.000 0.837 152 R N -1.797 118.696 120.500 -0.013 0.000 2.280 152 R HA 0.000 4.341 4.340 0.001 0.000 0.207 152 R C 0.417 176.421 176.300 -0.493 0.000 1.043 152 R CA 0.942 56.888 56.100 -0.257 0.000 1.006 152 R CB -0.213 29.855 30.300 -0.386 0.000 0.885 152 R HN 0.329 nan 8.270 nan 0.000 0.467 153 Y N -1.151 119.281 120.300 0.221 0.000 2.715 153 Y HA 0.302 4.853 4.550 0.001 0.000 0.255 153 Y C 1.141 177.192 175.900 0.252 0.000 1.139 153 Y CA -0.204 58.084 58.100 0.313 0.000 1.151 153 Y CB 1.049 39.782 38.460 0.454 0.000 1.201 153 Y HN 0.110 nan 8.280 nan 0.000 0.556 154 G N 0.254 109.192 108.800 0.230 0.000 2.180 154 G HA2 -0.170 3.791 3.960 0.001 0.000 0.263 154 G HA3 -0.170 3.791 3.960 0.001 0.000 0.263 154 G C 1.146 176.126 174.900 0.133 0.000 0.989 154 G CA 0.445 45.642 45.100 0.160 0.000 0.692 154 G HN 1.325 nan 8.290 nan 0.000 0.526 155 G N -1.061 107.833 108.800 0.158 0.000 2.149 155 G HA2 -0.061 3.900 3.960 0.001 0.000 0.235 155 G HA3 -0.061 3.900 3.960 0.001 0.000 0.235 155 G C -0.004 174.958 174.900 0.105 0.000 1.018 155 G CA 1.128 46.287 45.100 0.099 0.000 0.728 155 G HN 1.726 nan 8.290 nan 0.000 0.508 156 K N -0.046 120.455 120.400 0.168 0.000 2.729 156 K HA 0.518 4.838 4.320 0.001 0.000 0.269 156 K C -0.666 175.962 176.600 0.046 0.000 1.065 156 K CA -1.006 55.334 56.287 0.087 0.000 1.000 156 K CB 0.483 33.002 32.500 0.032 0.000 1.283 156 K HN 0.020 nan 8.250 nan 0.000 0.491 157 I N 2.690 123.276 120.570 0.027 0.000 2.352 157 I HA 0.123 4.294 4.170 0.001 0.000 0.290 157 I C 0.685 176.541 176.117 -0.436 0.000 1.036 157 I CA 0.357 61.600 61.300 -0.095 0.000 1.336 157 I CB 1.435 39.517 38.000 0.137 0.000 1.407 157 I HN 0.503 nan 8.210 nan 0.000 0.497 158 S N 3.532 118.490 115.700 -1.237 0.000 2.579 158 S HA 0.074 4.545 4.470 0.001 0.000 0.275 158 S C 1.479 175.786 174.600 -0.489 0.000 1.345 158 S CA 0.103 57.690 58.200 -1.021 0.000 1.031 158 S CB 0.561 62.743 63.200 -1.696 0.000 0.892 158 S HN 0.765 nan 8.310 nan 0.000 0.529 159 S N 2.315 117.868 115.700 -0.245 0.000 2.489 159 S HA 0.013 4.484 4.470 0.001 0.000 0.228 159 S C 1.185 175.795 174.600 0.017 0.000 0.995 159 S CA 0.608 58.765 58.200 -0.072 0.000 0.934 159 S CB -0.435 62.738 63.200 -0.045 0.000 0.771 159 S HN 0.831 nan 8.310 nan 0.000 0.522 160 E N 0.028 120.240 120.200 0.020 0.000 2.347 160 E HA -0.006 4.344 4.350 0.001 0.000 0.196 160 E C -0.036 176.822 176.600 0.430 0.000 1.008 160 E CA 0.240 56.780 56.400 0.232 0.000 0.852 160 E CB 0.059 29.988 29.700 0.382 0.000 0.783 160 E HN 0.604 nan 8.360 nan 0.000 0.505 161 W N 0.079 121.466 121.300 0.144 0.000 2.030 161 W HA 0.162 4.823 4.660 0.001 0.000 0.371 161 W C 1.461 178.024 176.519 0.072 0.000 1.456 161 W CA -1.160 56.254 57.345 0.115 0.000 1.570 161 W CB -0.382 29.139 29.460 0.101 0.000 1.249 161 W HN -0.060 nan 8.180 nan 0.000 0.677 162 M N 1.225 121.005 119.600 0.299 0.000 2.126 162 M HA -0.207 4.274 4.480 0.001 0.000 0.259 162 M C 1.794 178.153 176.300 0.098 0.000 1.073 162 M CA 2.061 57.442 55.300 0.136 0.000 1.103 162 M CB -1.181 31.476 32.600 0.095 0.000 1.284 162 M HN 0.343 nan 8.290 nan 0.000 0.420 163 I N 0.508 121.170 120.570 0.153 0.000 2.113 163 I HA -0.327 3.844 4.170 0.001 0.000 0.242 163 I C 2.476 178.712 176.117 0.198 0.000 1.064 163 I CA 2.021 63.424 61.300 0.173 0.000 1.320 163 I CB -1.275 36.865 38.000 0.235 0.000 1.028 163 I HN 0.459 nan 8.210 nan 0.000 0.406 164 A N -0.168 122.783 122.820 0.218 0.000 1.877 164 A HA -0.257 4.064 4.320 0.001 0.000 0.216 164 A C 2.356 180.018 177.584 0.130 0.000 1.186 164 A CA 1.901 54.071 52.037 0.222 0.000 0.620 164 A CB -0.605 18.482 19.000 0.144 0.000 0.822 164 A HN 0.383 nan 8.150 nan 0.000 0.443 165 K N -0.666 119.776 120.400 0.071 0.000 2.063 165 K HA -0.117 4.204 4.320 0.001 0.000 0.208 165 K C 1.960 178.489 176.600 -0.119 0.000 1.048 165 K CA 1.466 57.745 56.287 -0.012 0.000 0.928 165 K CB -0.449 32.045 32.500 -0.010 0.000 0.713 165 K HN 0.379 nan 8.250 nan 0.000 0.442 166 V N 0.069 119.870 119.914 -0.189 0.000 2.379 166 V HA -0.175 3.945 4.120 0.001 0.000 0.245 166 V C 1.724 177.780 176.094 -0.064 0.000 1.044 166 V CA 1.397 63.465 62.300 -0.386 0.000 1.036 166 V CB -0.405 31.053 31.823 -0.609 0.000 0.664 166 V HN 0.510 nan 8.190 nan 0.000 0.453 167 W N 1.037 122.240 121.300 -0.162 0.000 2.350 167 W HA -0.169 4.492 4.660 0.001 0.000 0.289 167 W C 2.489 178.922 176.519 -0.144 0.000 1.215 167 W CA 1.982 59.245 57.345 -0.137 0.000 1.236 167 W CB -0.636 28.782 29.460 -0.070 0.000 1.130 167 W HN 0.443 nan 8.180 nan 0.000 0.541 168 Q N -0.329 119.457 119.800 -0.022 0.000 2.046 168 Q HA -0.208 4.133 4.340 0.001 0.000 0.200 168 Q C 2.137 177.993 176.000 -0.240 0.000 0.975 168 Q CA 1.971 57.684 55.803 -0.151 0.000 0.836 168 Q CB -0.385 28.292 28.738 -0.102 0.000 0.896 168 Q HN 0.166 nan 8.270 nan 0.000 0.428 169 I N 0.834 121.235 120.570 -0.283 0.000 2.127 169 I HA -0.291 3.880 4.170 0.001 0.000 0.241 169 I C 2.301 178.371 176.117 -0.078 0.000 1.075 169 I CA 0.902 62.002 61.300 -0.333 0.000 1.334 169 I CB -0.772 37.192 38.000 -0.060 0.000 1.040 169 I HN 0.313 nan 8.210 nan 0.000 0.405 170 L N 0.498 121.704 121.223 -0.028 0.000 1.990 170 L HA -0.289 4.052 4.340 0.001 0.000 0.213 170 L C 2.105 178.945 176.870 -0.050 0.000 1.072 170 L CA 2.457 57.197 54.840 -0.167 0.000 0.755 170 L CB -0.906 40.888 42.059 -0.441 0.000 0.889 170 L HN 0.384 nan 8.230 nan 0.000 0.432 171 D N -0.835 119.550 120.400 -0.024 0.000 2.077 171 D HA -0.217 4.424 4.640 0.001 0.000 0.197 171 D C 2.046 178.361 176.300 0.026 0.000 0.983 171 D CA 1.799 55.791 54.000 -0.013 0.000 0.841 171 D CB -0.155 40.586 40.800 -0.099 0.000 0.992 171 D HN 0.516 nan 8.370 nan 0.000 0.450 172 E N -1.092 119.131 120.200 0.038 0.000 2.268 172 E HA 0.074 4.424 4.350 0.001 0.000 0.195 172 E C 0.057 176.803 176.600 0.243 0.000 0.995 172 E CA 0.868 57.372 56.400 0.175 0.000 0.836 172 E CB 0.165 30.098 29.700 0.387 0.000 0.763 172 E HN 0.283 nan 8.360 nan 0.000 0.491 173 A N 0.542 123.465 122.820 0.172 0.000 3.448 173 A HA 0.116 4.437 4.320 0.001 0.000 0.232 173 A C 0.615 178.324 177.584 0.207 0.000 1.018 173 A CA -0.442 51.745 52.037 0.249 0.000 0.996 173 A CB 0.008 19.275 19.000 0.445 0.000 1.283 173 A HN 0.132 nan 8.150 nan 0.000 0.586 174 E N 1.190 121.489 120.200 0.166 0.000 2.187 174 E HA -0.320 4.031 4.350 0.001 0.000 0.199 174 E C 1.494 178.234 176.600 0.232 0.000 1.004 174 E CA 2.042 58.555 56.400 0.187 0.000 0.813 174 E CB 0.070 29.845 29.700 0.125 0.000 0.736 174 E HN 0.771 nan 8.360 nan 0.000 0.468 175 D N -0.176 120.350 120.400 0.210 0.000 2.178 175 D HA -0.145 4.495 4.640 0.001 0.000 0.201 175 D C 1.943 178.382 176.300 0.232 0.000 0.980 175 D CA 1.025 55.158 54.000 0.222 0.000 0.842 175 D CB -0.427 40.513 40.800 0.234 0.000 0.948 175 D HN 0.242 nan 8.370 nan 0.000 0.472 176 V N -0.119 119.941 119.914 0.242 0.000 2.488 176 V HA -0.188 3.933 4.120 0.001 0.000 0.246 176 V C 2.268 178.402 176.094 0.067 0.000 1.046 176 V CA 1.104 63.483 62.300 0.131 0.000 1.053 176 V CB -0.917 31.047 31.823 0.234 0.000 0.679 176 V HN 0.093 nan 8.190 nan 0.000 0.458 177 Y N 2.001 122.349 120.300 0.081 0.000 2.049 177 Y HA -0.297 4.254 4.550 0.001 0.000 0.277 177 Y C 2.404 178.294 175.900 -0.016 0.000 1.143 177 Y CA 2.326 60.494 58.100 0.113 0.000 1.115 177 Y CB -0.732 37.817 38.460 0.148 0.000 0.975 177 Y HN 0.299 nan 8.280 nan 0.000 0.487 178 N N -0.610 118.114 118.700 0.041 0.000 2.205 178 N HA -0.217 4.524 4.740 0.001 0.000 0.186 178 N C 1.966 177.370 175.510 -0.176 0.000 1.015 178 N CA 0.631 53.637 53.050 -0.073 0.000 0.862 178 N CB -0.143 38.384 38.487 0.067 0.000 0.986 178 N HN 0.160 nan 8.380 nan 0.000 0.429 179 R N 1.233 121.621 120.500 -0.187 0.000 2.115 179 R HA 0.037 4.377 4.340 0.001 0.000 0.226 179 R C 0.047 176.121 176.300 -0.377 0.000 1.100 179 R CA 0.649 56.578 56.100 -0.285 0.000 0.980 179 R CB -0.675 29.326 30.300 -0.498 0.000 0.875 179 R HN 0.114 nan 8.270 nan 0.000 0.445 180 T N 1.007 115.289 114.554 -0.454 0.000 2.928 180 T HA -0.045 4.306 4.350 0.001 0.000 0.305 180 T C 0.659 175.029 174.700 -0.549 0.000 1.035 180 T CA 0.215 61.961 62.100 -0.590 0.000 1.145 180 T CB 1.094 69.389 68.868 -0.954 0.000 0.963 180 T HN 0.177 nan 8.240 nan 0.000 0.545 181 D N 1.594 121.722 120.400 -0.454 0.000 2.338 181 D HA 0.050 4.691 4.640 0.001 0.000 0.208 181 D C 0.496 176.574 176.300 -0.371 0.000 0.997 181 D CA 0.350 54.144 54.000 -0.344 0.000 0.880 181 D CB 0.469 41.129 40.800 -0.233 0.000 0.980 181 D HN 0.639 nan 8.370 nan 0.000 0.509 182 Q N -0.556 118.968 119.800 -0.460 0.000 2.468 182 Q HA 0.214 4.555 4.340 0.001 0.000 0.263 182 Q C -1.828 173.921 176.000 -0.418 0.000 0.979 182 Q CA -0.697 54.877 55.803 -0.382 0.000 0.932 182 Q CB 0.386 29.008 28.738 -0.193 0.000 1.462 182 Q HN -0.073 nan 8.270 nan 0.000 0.403 183 F N 3.011 122.888 119.950 -0.121 0.000 2.394 183 F HA 0.577 5.104 4.527 0.001 0.000 0.340 183 F C -0.136 175.621 175.800 -0.071 0.000 1.105 183 F CA -0.255 57.686 58.000 -0.097 0.000 1.124 183 F CB 1.028 39.984 39.000 -0.074 0.000 1.145 183 F HN 0.380 nan 8.300 nan 0.000 0.505 184 L N 2.016 123.309 121.223 0.118 0.000 2.401 184 L HA 0.393 4.734 4.340 0.001 0.000 0.266 184 L C -0.513 176.371 176.870 0.023 0.000 0.991 184 L CA -1.222 53.655 54.840 0.063 0.000 0.818 184 L CB 2.274 44.383 42.059 0.084 0.000 1.321 184 L HN 0.435 nan 8.230 nan 0.000 0.413 185 E N 1.197 121.396 120.200 -0.002 0.000 2.384 185 E HA 0.183 4.534 4.350 0.001 0.000 0.266 185 E C 0.735 177.248 176.600 -0.144 0.000 1.012 185 E CA 0.530 56.892 56.400 -0.062 0.000 0.901 185 E CB 1.759 31.426 29.700 -0.056 0.000 0.967 185 E HN 0.602 nan 8.360 nan 0.000 0.435 186 A N 3.506 126.123 122.820 -0.339 0.000 2.070 186 A HA -0.171 4.150 4.320 0.001 0.000 0.220 186 A C 2.127 179.207 177.584 -0.840 0.000 1.159 186 A CA 1.985 53.620 52.037 -0.670 0.000 0.656 186 A CB -0.706 17.522 19.000 -1.287 0.000 0.800 186 A HN 0.712 nan 8.150 nan 0.000 0.453 187 T N -0.816 113.389 114.554 -0.582 0.000 2.857 187 T HA -0.099 4.252 4.350 0.001 0.000 0.266 187 T C 1.514 176.172 174.700 -0.071 0.000 1.048 187 T CA 1.620 63.608 62.100 -0.187 0.000 1.139 187 T CB -0.380 68.498 68.868 0.017 0.000 0.874 187 T HN 0.496 nan 8.240 nan 0.000 0.455 188 D N -0.387 119.968 120.400 -0.074 0.000 2.137 188 D HA -0.033 4.608 4.640 0.001 0.000 0.202 188 D C 1.590 177.878 176.300 -0.020 0.000 0.970 188 D CA 0.644 54.618 54.000 -0.042 0.000 0.837 188 D CB -0.449 40.328 40.800 -0.038 0.000 0.981 188 D HN 0.529 nan 8.370 nan 0.000 0.475 189 W N 2.132 123.343 121.300 -0.148 0.000 2.333 189 W HA -0.180 4.480 4.660 0.001 0.000 0.316 189 W C 2.003 178.477 176.519 -0.074 0.000 1.215 189 W CA 0.937 58.215 57.345 -0.112 0.000 1.278 189 W CB -0.433 28.953 29.460 -0.125 0.000 1.154 189 W HN -0.161 nan 8.180 nan 0.000 0.486 190 I N 1.430 121.923 120.570 -0.129 0.000 2.194 190 I HA -0.247 3.924 4.170 0.001 0.000 0.246 190 I C 2.237 178.209 176.117 -0.241 0.000 1.093 190 I CA 2.289 63.437 61.300 -0.254 0.000 1.355 190 I CB -1.234 36.784 38.000 0.030 0.000 1.046 190 I HN 0.114 nan 8.210 nan 0.000 0.413 191 V N -0.916 118.917 119.914 -0.135 0.000 2.809 191 V HA -0.087 4.034 4.120 0.001 0.000 0.256 191 V C 2.510 178.507 176.094 -0.162 0.000 1.080 191 V CA 1.532 63.773 62.300 -0.098 0.000 1.102 191 V CB -1.226 30.572 31.823 -0.043 0.000 0.705 191 V HN 0.531 nan 8.190 nan 0.000 0.475 192 S N -0.327 115.227 115.700 -0.244 0.000 2.453 192 S HA -0.137 4.334 4.470 0.001 0.000 0.231 192 S C 1.886 176.305 174.600 -0.301 0.000 1.005 192 S CA 0.928 58.983 58.200 -0.241 0.000 0.949 192 S CB -0.440 62.619 63.200 -0.234 0.000 0.774 192 S HN 0.648 nan 8.310 nan 0.000 0.510 193 Q N 0.372 119.905 119.800 -0.445 0.000 2.331 193 Q HA 0.278 4.619 4.340 0.001 0.000 0.203 193 Q C 1.814 177.693 176.000 -0.202 0.000 0.944 193 Q CA 0.726 56.292 55.803 -0.395 0.000 0.892 193 Q CB -0.316 28.055 28.738 -0.611 0.000 0.983 193 Q HN 0.636 nan 8.270 nan 0.000 0.482 194 M N -1.176 118.330 119.600 -0.157 0.000 2.492 194 M HA 0.021 4.502 4.480 0.001 0.000 0.255 194 M C 1.589 177.851 176.300 -0.064 0.000 1.139 194 M CA 0.747 56.001 55.300 -0.077 0.000 1.096 194 M CB 0.546 33.123 32.600 -0.039 0.000 1.360 194 M HN -0.023 nan 8.290 nan 0.000 0.480 195 T N -1.433 113.072 114.554 -0.083 0.000 2.999 195 T HA 0.254 4.605 4.350 0.001 0.000 0.247 195 T C 1.211 175.872 174.700 -0.064 0.000 1.012 195 T CA 1.197 63.260 62.100 -0.062 0.000 1.048 195 T CB 0.307 69.141 68.868 -0.058 0.000 1.020 195 T HN 0.551 nan 8.240 nan 0.000 0.478 196 G N 1.476 110.224 108.800 -0.087 0.000 2.175 196 G HA2 -0.174 3.787 3.960 0.001 0.000 0.244 196 G HA3 -0.174 3.787 3.960 0.001 0.000 0.244 196 G C 0.035 174.895 174.900 -0.067 0.000 0.982 196 G CA 0.256 45.311 45.100 -0.074 0.000 0.641 196 G HN 0.551 nan 8.290 nan 0.000 0.527 197 K N -0.071 120.287 120.400 -0.070 0.000 2.395 197 K HA 0.690 5.010 4.320 0.001 0.000 0.247 197 K C 0.038 176.597 176.600 -0.068 0.000 0.973 197 K CA -0.965 55.286 56.287 -0.060 0.000 0.828 197 K CB 1.986 34.456 32.500 -0.049 0.000 1.272 197 K HN 0.393 nan 8.250 nan 0.000 0.439 198 I N -0.599 119.937 120.570 -0.056 0.000 2.306 198 I HA 0.409 4.580 4.170 0.001 0.000 0.288 198 I C -0.630 175.454 176.117 -0.056 0.000 1.036 198 I CA -0.775 60.493 61.300 -0.053 0.000 1.221 198 I CB 1.252 39.228 38.000 -0.040 0.000 1.385 198 I HN 0.109 nan 8.210 nan 0.000 0.472 199 V N 7.249 127.125 119.914 -0.064 0.000 2.419 199 V HA 0.377 4.498 4.120 0.001 0.000 0.287 199 V C -0.131 175.909 176.094 -0.091 0.000 1.017 199 V CA -0.517 61.739 62.300 -0.074 0.000 0.844 199 V CB 1.438 33.219 31.823 -0.069 0.000 1.011 199 V HN 0.752 nan 8.190 nan 0.000 0.429 200 K N 6.051 126.386 120.400 -0.108 0.000 2.322 200 K HA 0.289 4.610 4.320 0.001 0.000 0.283 200 K C 0.237 176.718 176.600 -0.200 0.000 1.042 200 K CA -0.309 55.896 56.287 -0.137 0.000 0.958 200 K CB 0.666 33.084 32.500 -0.137 0.000 0.984 200 K HN 0.857 nan 8.250 nan 0.000 0.473 201 N N 0.806 119.390 118.700 -0.193 0.000 2.445 201 N HA -0.036 4.704 4.740 0.001 0.000 0.264 201 N C 0.593 175.905 175.510 -0.330 0.000 1.227 201 N CA -0.219 52.693 53.050 -0.232 0.000 0.963 201 N CB 1.156 39.531 38.487 -0.185 0.000 1.188 201 N HN 0.564 nan 8.380 nan 0.000 0.491 202 S N -0.234 115.259 115.700 -0.345 0.000 2.414 202 S HA -0.130 4.341 4.470 0.001 0.000 0.227 202 S C 2.073 176.531 174.600 -0.237 0.000 1.022 202 S CA 0.434 58.380 58.200 -0.423 0.000 0.958 202 S CB -0.919 62.121 63.200 -0.266 0.000 0.797 202 S HN 0.708 nan 8.310 nan 0.000 0.493 203 C N 3.006 122.212 119.300 -0.157 0.000 2.413 203 C HA -0.115 4.346 4.460 0.001 0.000 0.278 203 C C 3.322 178.304 174.990 -0.015 0.000 1.224 203 C CA 2.075 61.059 59.018 -0.057 0.000 1.732 203 C CB -1.631 26.033 27.740 -0.126 0.000 2.050 203 C HN 0.823 nan 8.230 nan 0.000 0.463 204 T N 0.032 114.542 114.554 -0.074 0.000 2.777 204 T HA -0.030 4.321 4.350 0.001 0.000 0.266 204 T C 2.009 176.672 174.700 -0.061 0.000 1.040 204 T CA 1.778 63.847 62.100 -0.051 0.000 1.141 204 T CB -0.822 68.016 68.868 -0.050 0.000 0.868 204 T HN 0.642 nan 8.240 nan 0.000 0.444 205 A N 1.997 124.740 122.820 -0.127 0.000 1.908 205 A HA 0.185 4.506 4.320 0.001 0.000 0.218 205 A C 2.710 180.332 177.584 0.063 0.000 1.181 205 A CA 1.878 53.853 52.037 -0.104 0.000 0.627 205 A CB -1.645 17.068 19.000 -0.478 0.000 0.818 205 A HN 0.622 nan 8.150 nan 0.000 0.445 206 G N -1.796 107.038 108.800 0.057 0.000 2.414 206 G HA2 -0.136 3.824 3.960 0.001 0.000 0.215 206 G HA3 -0.136 3.824 3.960 0.001 0.000 0.215 206 G C 1.469 176.299 174.900 -0.117 0.000 1.188 206 G CA 1.170 46.323 45.100 0.088 0.000 0.783 206 G HN 0.584 nan 8.290 nan 0.000 0.537 207 Y N 0.849 121.133 120.300 -0.026 0.000 2.365 207 Y HA 0.157 4.708 4.550 0.001 0.000 0.293 207 Y C 2.649 178.211 175.900 -0.564 0.000 1.119 207 Y CA 1.076 59.088 58.100 -0.147 0.000 1.203 207 Y CB 0.399 38.741 38.460 -0.197 0.000 1.026 207 Y HN 0.058 nan 8.280 nan 0.000 0.549 208 K N -0.811 119.391 120.400 -0.329 0.000 2.367 208 K HA 0.384 4.705 4.320 0.001 0.000 0.195 208 K C 1.002 177.531 176.600 -0.117 0.000 1.060 208 K CA 0.752 56.750 56.287 -0.481 0.000 1.022 208 K CB 0.656 33.003 32.500 -0.255 0.000 0.894 208 K HN 0.102 nan 8.250 nan 0.000 0.540 209 A N 2.072 124.886 122.820 -0.011 0.000 2.630 209 A HA 0.269 4.590 4.320 0.001 0.000 0.290 209 A C 0.362 178.059 177.584 0.189 0.000 1.267 209 A CA -0.401 51.718 52.037 0.136 0.000 0.950 209 A CB -0.219 18.923 19.000 0.236 0.000 1.144 209 A HN 0.214 nan 8.150 nan 0.000 0.527 210 I N -1.710 118.840 120.570 -0.034 0.000 6.532 210 I HA -0.228 3.943 4.170 0.001 0.000 0.126 210 I C 0.040 176.234 176.117 0.129 0.000 1.811 210 I CA 0.627 61.840 61.300 -0.146 0.000 2.115 210 I CB -2.487 35.249 38.000 -0.439 0.000 3.474 210 I HN 0.738 nan 8.210 nan 0.000 0.192 211 W N 2.745 124.025 121.300 -0.034 0.000 2.448 211 W HA 0.640 5.301 4.660 0.001 0.000 0.339 211 W C 0.150 176.622 176.519 -0.078 0.000 1.124 211 W CA -0.369 56.839 57.345 -0.228 0.000 1.262 211 W CB 0.838 30.032 29.460 -0.444 0.000 1.251 211 W HN 0.246 nan 8.180 nan 0.000 0.597 212 H N 2.861 121.093 119.070 -1.397 0.000 2.865 212 H HA 0.215 4.772 4.556 0.001 0.000 0.362 212 H C 0.730 174.912 175.328 -1.909 0.000 1.114 212 H CA -0.643 54.638 56.048 -1.278 0.000 1.208 212 H CB 2.195 31.600 29.762 -0.595 0.000 1.727 212 H HN 0.594 nan 8.280 nan 0.000 0.534 213 K N 2.764 122.005 120.400 -1.931 0.000 2.097 213 K HA -0.087 4.234 4.320 0.001 0.000 0.205 213 K C 1.926 178.164 176.600 -0.604 0.000 1.050 213 K CA 1.297 56.888 56.287 -1.161 0.000 0.938 213 K CB 0.216 32.342 32.500 -0.623 0.000 0.718 213 K HN 0.582 nan 8.250 nan 0.000 0.442 214 R N 0.343 120.479 120.500 -0.606 0.000 2.090 214 R HA -0.003 4.338 4.340 0.001 0.000 0.219 214 R C 1.206 177.483 176.300 -0.039 0.000 1.100 214 R CA 1.172 57.156 56.100 -0.193 0.000 0.991 214 R CB 0.260 30.509 30.300 -0.085 0.000 0.893 214 R HN 0.176 nan 8.270 nan 0.000 0.443 215 E N -0.364 119.898 120.200 0.104 0.000 2.472 215 E HA 0.162 4.513 4.350 0.001 0.000 0.196 215 E C 0.708 177.286 176.600 -0.038 0.000 1.033 215 E CA 0.250 56.666 56.400 0.026 0.000 0.886 215 E CB 0.817 30.513 29.700 -0.007 0.000 0.944 215 E HN 0.523 nan 8.360 nan 0.000 0.492 216 G N 1.225 109.908 108.800 -0.195 0.000 2.527 216 G HA2 -0.328 3.633 3.960 0.001 0.000 0.268 216 G HA3 -0.328 3.633 3.960 0.001 0.000 0.268 216 G C -0.318 174.473 174.900 -0.181 0.000 1.175 216 G CA -0.009 44.971 45.100 -0.200 0.000 0.962 216 G HN 0.241 nan 8.290 nan 0.000 0.560 217 Y N 1.712 122.089 120.300 0.130 0.000 2.340 217 Y HA 0.527 5.078 4.550 0.001 0.000 0.327 217 Y C -1.304 174.664 175.900 0.113 0.000 1.321 217 Y CA -1.115 57.074 58.100 0.148 0.000 1.433 217 Y CB 0.466 39.052 38.460 0.210 0.000 1.373 217 Y HN 0.404 nan 8.280 nan 0.000 0.538 218 P HA 0.089 nan 4.420 nan 0.000 0.272 218 P C -0.831 176.667 177.300 0.329 0.000 1.240 218 P CA -0.269 62.915 63.100 0.140 0.000 0.791 218 P CB 0.517 32.029 31.700 -0.314 0.000 0.978 219 S N 0.334 116.179 115.700 0.242 0.000 2.550 219 S HA -0.074 4.396 4.470 0.001 0.000 0.285 219 S C 1.407 176.217 174.600 0.350 0.000 1.326 219 S CA 0.131 58.481 58.200 0.250 0.000 1.037 219 S CB -0.357 62.958 63.200 0.190 0.000 0.838 219 S HN 0.452 nan 8.310 nan 0.000 0.519 220 N N 0.747 119.576 118.700 0.215 0.000 2.270 220 N HA -0.099 4.641 4.740 0.001 0.000 0.181 220 N C 1.442 177.021 175.510 0.116 0.000 1.016 220 N CA 0.418 53.549 53.050 0.136 0.000 0.870 220 N CB 0.071 38.529 38.487 -0.049 0.000 0.979 220 N HN 0.490 nan 8.380 nan 0.000 0.431 221 E N 0.573 120.834 120.200 0.102 0.000 2.150 221 E HA -0.158 4.193 4.350 0.001 0.000 0.193 221 E C 1.563 178.194 176.600 0.052 0.000 0.985 221 E CA 0.558 56.992 56.400 0.056 0.000 0.814 221 E CB -0.253 29.481 29.700 0.057 0.000 0.752 221 E HN 0.379 nan 8.360 nan 0.000 0.466 222 F N 0.562 120.504 119.950 -0.013 0.000 2.102 222 F HA -0.202 4.326 4.527 0.001 0.000 0.298 222 F C 1.968 177.630 175.800 -0.230 0.000 1.105 222 F CA 1.308 59.234 58.000 -0.123 0.000 1.239 222 F CB -0.455 38.440 39.000 -0.174 0.000 0.991 222 F HN -0.095 nan 8.300 nan 0.000 0.474 223 F N 0.844 120.680 119.950 -0.190 0.000 2.186 223 F HA -0.107 4.421 4.527 0.001 0.000 0.299 223 F C 2.547 178.117 175.800 -0.384 0.000 1.090 223 F CA 1.723 59.511 58.000 -0.353 0.000 1.307 223 F CB -0.766 38.138 39.000 -0.161 0.000 1.019 223 F HN -0.083 nan 8.300 nan 0.000 0.489 224 K N 0.862 121.213 120.400 -0.082 0.000 2.103 224 K HA -0.157 4.163 4.320 0.001 0.000 0.207 224 K C 1.985 178.479 176.600 -0.177 0.000 1.048 224 K CA 1.279 57.499 56.287 -0.111 0.000 0.930 224 K CB -0.299 32.157 32.500 -0.072 0.000 0.716 224 K HN 0.204 nan 8.250 nan 0.000 0.444 225 A N 0.360 123.034 122.820 -0.244 0.000 2.239 225 A HA 0.002 4.323 4.320 0.001 0.000 0.209 225 A C 1.586 178.969 177.584 -0.335 0.000 1.171 225 A CA 0.653 52.541 52.037 -0.249 0.000 0.768 225 A CB -0.114 18.742 19.000 -0.241 0.000 0.790 225 A HN 0.299 nan 8.150 nan 0.000 0.478 226 L N -1.194 119.749 121.223 -0.466 0.000 2.425 226 L HA 0.322 4.663 4.340 0.001 0.000 0.215 226 L C -0.088 176.553 176.870 -0.382 0.000 1.065 226 L CA 0.982 55.455 54.840 -0.612 0.000 0.842 226 L CB 0.514 41.914 42.059 -1.097 0.000 1.033 226 L HN 0.405 nan 8.230 nan 0.000 0.474 227 D N -2.368 117.860 120.400 -0.287 0.000 2.334 227 D HA 0.042 4.683 4.640 0.001 0.000 0.182 227 D C -2.399 173.832 176.300 -0.115 0.000 1.157 227 D CA -0.638 53.284 54.000 -0.129 0.000 0.807 227 D CB 1.603 42.339 40.800 -0.107 0.000 2.649 227 D HN -0.263 nan 8.370 nan 0.000 0.494 228 P HA -0.149 nan 4.420 nan 0.000 0.217 228 P C 1.312 178.603 177.300 -0.015 0.000 1.151 228 P CA 1.304 64.383 63.100 -0.034 0.000 0.849 228 P CB 0.249 31.945 31.700 -0.008 0.000 0.787 229 R N -0.739 119.752 120.500 -0.014 0.000 2.105 229 R HA -0.095 4.246 4.340 0.001 0.000 0.239 229 R C 2.176 178.489 176.300 0.021 0.000 1.135 229 R CA 1.123 57.232 56.100 0.016 0.000 0.967 229 R CB -1.083 29.209 30.300 -0.013 0.000 0.861 229 R HN 0.259 nan 8.270 nan 0.000 0.442 230 L N 1.098 122.286 121.223 -0.059 0.000 2.549 230 L HA -0.068 4.273 4.340 0.001 0.000 0.229 230 L C 1.118 177.967 176.870 -0.035 0.000 1.158 230 L CA 0.323 55.129 54.840 -0.056 0.000 0.842 230 L CB -0.439 41.530 42.059 -0.150 0.000 0.952 230 L HN 0.275 nan 8.230 nan 0.000 0.452 231 E N -0.018 120.163 120.200 -0.032 0.000 2.384 231 E HA -0.098 4.253 4.350 0.001 0.000 0.266 231 E C 0.114 176.651 176.600 -0.106 0.000 1.012 231 E CA -0.165 56.160 56.400 -0.124 0.000 0.901 231 E CB 0.228 29.823 29.700 -0.175 0.000 0.967 231 E HN 0.229 nan 8.360 nan 0.000 0.435 232 H N 1.084 120.120 119.070 -0.056 0.000 3.428 232 H HA -0.212 4.345 4.556 0.001 0.000 0.204 232 H C 1.070 176.314 175.328 -0.140 0.000 1.078 232 H CA 0.908 56.910 56.048 -0.076 0.000 1.183 232 H CB -1.556 28.186 29.762 -0.033 0.000 1.132 232 H HN 0.595 nan 8.280 nan 0.000 0.323 233 L N 0.921 122.049 121.223 -0.158 0.000 2.012 233 L HA -0.076 4.265 4.340 0.001 0.000 0.210 233 L C 2.226 178.910 176.870 -0.309 0.000 1.073 233 L CA 2.827 57.539 54.840 -0.214 0.000 0.748 233 L CB -0.834 40.997 42.059 -0.380 0.000 0.891 233 L HN 0.211 nan 8.230 nan 0.000 0.431 234 T N -0.926 113.331 114.554 -0.494 0.000 2.897 234 T HA -0.117 4.234 4.350 0.001 0.000 0.271 234 T C 1.313 175.887 174.700 -0.209 0.000 1.084 234 T CA 1.625 63.432 62.100 -0.488 0.000 1.123 234 T CB -0.519 68.062 68.868 -0.479 0.000 0.865 234 T HN 0.757 nan 8.240 nan 0.000 0.496 235 T N -1.499 112.994 114.554 -0.102 0.000 3.085 235 T HA 0.222 4.573 4.350 0.001 0.000 0.264 235 T C 1.396 176.069 174.700 -0.045 0.000 1.019 235 T CA 0.401 62.486 62.100 -0.026 0.000 0.910 235 T CB 0.287 69.180 68.868 0.043 0.000 1.059 235 T HN 0.465 nan 8.240 nan 0.000 0.542 236 T N 0.190 114.698 114.554 -0.077 0.000 3.349 236 T HA 0.325 4.675 4.350 0.001 0.000 0.169 236 T C 1.357 175.979 174.700 -0.129 0.000 0.938 236 T CA -0.319 61.726 62.100 -0.092 0.000 1.017 236 T CB -0.077 68.744 68.868 -0.079 0.000 1.476 236 T HN 0.038 nan 8.240 nan 0.000 0.327 237 K N 0.988 121.304 120.400 -0.141 0.000 2.504 237 K HA 0.349 4.670 4.320 0.001 0.000 0.195 237 K C 0.796 177.366 176.600 -0.051 0.000 1.036 237 K CA 0.622 56.807 56.287 -0.170 0.000 0.984 237 K CB -0.137 32.252 32.500 -0.186 0.000 0.788 237 K HN 0.374 nan 8.250 nan 0.000 0.488 238 L N 1.305 122.474 121.223 -0.091 0.000 3.347 238 L HA 0.223 4.563 4.340 0.001 0.000 0.306 238 L C -0.241 176.549 176.870 -0.132 0.000 1.301 238 L CA -0.546 54.225 54.840 -0.115 0.000 0.985 238 L CB 0.324 42.237 42.059 -0.244 0.000 1.400 238 L HN 0.109 nan 8.230 nan 0.000 0.601 239 R N -0.042 120.408 120.500 -0.085 0.000 2.726 239 R HA 0.719 5.060 4.340 0.001 0.000 0.272 239 R C 0.138 176.436 176.300 -0.003 0.000 1.097 239 R CA 0.281 56.359 56.100 -0.036 0.000 1.198 239 R CB 0.527 30.801 30.300 -0.044 0.000 1.114 239 R HN 0.033 nan 8.270 nan 0.000 0.550 240 G N 0.623 109.436 108.800 0.022 0.000 2.528 240 G HA2 -0.043 3.918 3.960 0.001 0.000 0.681 240 G HA3 -0.043 3.918 3.960 0.001 0.000 0.681 240 G C -1.715 173.186 174.900 0.001 0.000 1.340 240 G CA -0.832 44.270 45.100 0.002 0.000 0.855 240 G HN 0.621 nan 8.290 nan 0.000 0.649 241 D N 0.450 120.831 120.400 -0.032 0.000 2.390 241 D HA 0.400 5.041 4.640 0.001 0.000 0.249 241 D C 0.875 177.085 176.300 -0.150 0.000 1.144 241 D CA 0.047 54.013 54.000 -0.057 0.000 0.880 241 D CB 0.911 41.683 40.800 -0.046 0.000 1.182 241 D HN 0.304 nan 8.370 nan 0.000 0.451 242 I N 3.163 123.584 120.570 -0.249 0.000 2.325 242 I HA 0.132 4.302 4.170 0.001 0.000 0.291 242 I C 0.329 176.237 176.117 -0.347 0.000 1.019 242 I CA -0.744 60.256 61.300 -0.501 0.000 1.302 242 I CB 0.651 37.932 38.000 -1.199 0.000 1.401 242 I HN 0.062 nan 8.210 nan 0.000 0.485 243 V N 6.814 126.554 119.914 -0.290 0.000 2.628 243 V HA 0.711 4.832 4.120 0.001 0.000 0.306 243 V C -2.521 173.456 176.094 -0.194 0.000 1.045 243 V CA -2.138 60.052 62.300 -0.184 0.000 0.905 243 V CB 1.718 33.466 31.823 -0.125 0.000 0.997 243 V HN 0.532 nan 8.190 nan 0.000 0.436 244 P HA 0.165 nan 4.420 nan 0.000 0.269 244 P C -0.356 176.856 177.300 -0.146 0.000 1.215 244 P CA -0.306 62.726 63.100 -0.113 0.000 0.780 244 P CB 0.782 32.455 31.700 -0.044 0.000 0.898 245 L N 1.616 122.707 121.223 -0.220 0.000 2.499 245 L HA 0.164 4.504 4.340 0.001 0.000 0.281 245 L C 2.057 178.783 176.870 -0.241 0.000 1.234 245 L CA 2.219 56.799 54.840 -0.434 0.000 0.839 245 L CB -1.543 39.997 42.059 -0.864 0.000 1.104 245 L HN 0.911 nan 8.230 nan 0.000 0.500 246 G N 0.904 109.593 108.800 -0.184 0.000 2.253 246 G HA2 -0.257 3.703 3.960 0.001 0.000 0.251 246 G HA3 -0.257 3.703 3.960 0.001 0.000 0.251 246 G C 0.449 175.414 174.900 0.108 0.000 0.998 246 G CA 0.242 45.481 45.100 0.233 0.000 0.621 246 G HN 0.551 nan 8.290 nan 0.000 0.524 247 E N 0.250 120.459 120.200 0.015 0.000 2.374 247 E HA 0.581 4.932 4.350 0.001 0.000 0.260 247 E C 0.740 177.344 176.600 0.006 0.000 1.101 247 E CA -0.739 55.665 56.400 0.008 0.000 0.907 247 E CB 0.357 30.043 29.700 -0.024 0.000 1.014 247 E HN 0.345 nan 8.360 nan 0.000 0.427 248 R N 2.068 122.572 120.500 0.008 0.000 2.248 248 R HA 0.226 4.567 4.340 0.001 0.000 0.337 248 R C 0.601 176.893 176.300 -0.012 0.000 1.085 248 R CA 0.243 56.347 56.100 0.006 0.000 0.934 248 R CB 0.128 30.433 30.300 0.009 0.000 1.034 248 R HN 0.638 nan 8.270 nan 0.000 0.465 249 A N 3.659 126.469 122.820 -0.016 0.000 1.940 249 A HA 0.068 4.389 4.320 0.001 0.000 0.219 249 A C 1.050 178.617 177.584 -0.028 0.000 1.176 249 A CA 1.647 53.666 52.037 -0.031 0.000 0.631 249 A CB -0.244 18.737 19.000 -0.033 0.000 0.814 249 A HN 0.889 nan 8.150 nan 0.000 0.446 250 G N -3.837 104.952 108.800 -0.019 0.000 2.352 250 G HA2 0.498 4.458 3.960 0.001 0.000 0.283 250 G HA3 0.498 4.458 3.960 0.001 0.000 0.283 250 G C -0.117 174.775 174.900 -0.013 0.000 1.308 250 G CA -0.202 44.887 45.100 -0.018 0.000 0.892 250 G HN 1.046 nan 8.290 nan 0.000 0.504 251 G N -1.068 107.724 108.800 -0.014 0.000 2.425 251 G HA2 0.652 4.613 3.960 0.001 0.000 0.302 251 G HA3 0.652 4.613 3.960 0.001 0.000 0.302 251 G C -0.264 174.629 174.900 -0.013 0.000 1.159 251 G CA -0.367 44.727 45.100 -0.010 0.000 0.865 251 G HN 1.220 nan 8.290 nan 0.000 0.515 252 L N 1.581 122.800 121.223 -0.006 0.000 2.455 252 L HA 0.287 4.628 4.340 0.001 0.000 0.272 252 L C 0.404 177.268 176.870 -0.011 0.000 1.174 252 L CA -0.192 54.644 54.840 -0.008 0.000 0.869 252 L CB 0.297 42.357 42.059 0.002 0.000 1.130 252 L HN 0.366 nan 8.230 nan 0.000 0.474 253 L N 8.418 129.631 121.223 -0.018 0.000 2.456 253 L HA 0.155 4.496 4.340 0.001 0.000 0.272 253 L C -0.995 175.869 176.870 -0.010 0.000 1.189 253 L CA -1.082 53.747 54.840 -0.017 0.000 0.846 253 L CB 0.241 42.285 42.059 -0.025 0.000 1.111 253 L HN 0.613 nan 8.230 nan 0.000 0.475 254 P HA -0.224 nan 4.420 nan 0.000 0.215 254 P C 0.948 178.246 177.300 -0.002 0.000 1.153 254 P CA 1.449 64.546 63.100 -0.004 0.000 0.853 254 P CB 0.029 31.727 31.700 -0.004 0.000 0.788 255 E N -0.489 119.708 120.200 -0.004 0.000 2.150 255 E HA -0.139 4.212 4.350 0.001 0.000 0.193 255 E C 1.898 178.499 176.600 0.001 0.000 0.985 255 E CA 1.150 57.550 56.400 -0.001 0.000 0.814 255 E CB -0.912 28.787 29.700 -0.002 0.000 0.752 255 E HN 0.187 nan 8.360 nan 0.000 0.466 256 M N 1.101 120.700 119.600 -0.002 0.000 2.193 256 M HA 0.111 4.591 4.480 0.001 0.000 0.265 256 M C 2.538 178.841 176.300 0.006 0.000 1.071 256 M CA 1.343 56.643 55.300 0.001 0.000 1.140 256 M CB -1.220 31.376 32.600 -0.008 0.000 1.369 256 M HN 0.226 nan 8.290 nan 0.000 0.423 257 A N 0.435 123.257 122.820 0.004 0.000 1.948 257 A HA -0.218 4.103 4.320 0.001 0.000 0.220 257 A C 2.086 179.674 177.584 0.008 0.000 1.177 257 A CA 2.005 54.046 52.037 0.007 0.000 0.636 257 A CB -0.783 18.220 19.000 0.005 0.000 0.815 257 A HN 0.588 nan 8.150 nan 0.000 0.449 258 E N -0.312 119.891 120.200 0.006 0.000 2.023 258 E HA -0.214 4.137 4.350 0.001 0.000 0.196 258 E C 2.027 178.632 176.600 0.008 0.000 1.003 258 E CA 1.566 57.970 56.400 0.007 0.000 0.809 258 E CB -0.207 29.497 29.700 0.006 0.000 0.755 258 E HN 0.599 nan 8.360 nan 0.000 0.449 259 K N -0.063 120.343 120.400 0.010 0.000 2.281 259 K HA -0.110 4.211 4.320 0.001 0.000 0.203 259 K C 1.882 178.488 176.600 0.011 0.000 1.046 259 K CA 1.125 57.420 56.287 0.013 0.000 0.938 259 K CB -0.007 32.504 32.500 0.019 0.000 0.737 259 K HN 0.196 nan 8.250 nan 0.000 0.458 260 M N -1.418 118.189 119.600 0.011 0.000 2.492 260 M HA 0.120 4.601 4.480 0.001 0.000 0.255 260 M C 0.882 177.184 176.300 0.004 0.000 1.139 260 M CA 0.551 55.856 55.300 0.009 0.000 1.096 260 M CB 0.994 33.603 32.600 0.016 0.000 1.360 260 M HN 0.355 nan 8.290 nan 0.000 0.480 261 G N 1.888 110.691 108.800 0.005 0.000 2.132 261 G HA2 -0.202 3.759 3.960 0.001 0.000 0.234 261 G HA3 -0.202 3.759 3.960 0.001 0.000 0.234 261 G C -0.176 174.732 174.900 0.012 0.000 0.989 261 G CA -0.172 44.932 45.100 0.006 0.000 0.676 261 G HN 0.368 nan 8.290 nan 0.000 0.522 262 L N -0.426 120.805 121.223 0.014 0.000 2.286 262 L HA 0.575 4.916 4.340 0.001 0.000 0.265 262 L C 0.172 177.050 176.870 0.014 0.000 1.012 262 L CA -1.431 53.420 54.840 0.018 0.000 0.818 262 L CB 1.134 43.206 42.059 0.021 0.000 1.337 262 L HN -0.040 nan 8.230 nan 0.000 0.438 263 N N 1.541 120.249 118.700 0.015 0.000 2.524 263 N HA 0.313 5.054 4.740 0.001 0.000 0.283 263 N C -2.440 173.074 175.510 0.007 0.000 1.142 263 N CA -1.096 51.960 53.050 0.010 0.000 0.984 263 N CB 0.980 39.472 38.487 0.008 0.000 1.155 263 N HN 0.334 nan 8.380 nan 0.000 0.467 264 P HA 0.078 nan 4.420 nan 0.000 0.272 264 P C 0.689 177.989 177.300 0.000 0.000 1.230 264 P CA 0.270 63.371 63.100 0.001 0.000 0.788 264 P CB 0.721 32.421 31.700 -0.001 0.000 0.949 265 G N 1.821 110.620 108.800 -0.002 0.000 2.267 265 G HA2 -0.288 3.673 3.960 0.001 0.000 0.257 265 G HA3 -0.288 3.673 3.960 0.001 0.000 0.257 265 G C 0.460 175.360 174.900 0.001 0.000 0.998 265 G CA 0.314 45.413 45.100 -0.003 0.000 0.620 265 G HN 0.808 nan 8.290 nan 0.000 0.529 266 I N 0.081 120.654 120.570 0.005 0.000 2.872 266 I HA 0.531 4.702 4.170 0.001 0.000 0.291 266 I C 0.964 177.088 176.117 0.012 0.000 1.216 266 I CA -0.325 60.980 61.300 0.009 0.000 1.424 266 I CB 0.443 38.452 38.000 0.015 0.000 1.351 266 I HN 0.748 nan 8.210 nan 0.000 0.592 267 A N 5.890 128.720 122.820 0.016 0.000 2.565 267 A HA 0.408 4.729 4.320 0.001 0.000 0.237 267 A C -0.014 177.588 177.584 0.030 0.000 1.053 267 A CA -0.097 51.953 52.037 0.022 0.000 0.755 267 A CB -0.084 18.933 19.000 0.028 0.000 0.980 267 A HN 0.676 nan 8.150 nan 0.000 0.506 268 V N 2.757 122.686 119.914 0.025 0.000 2.409 268 V HA 0.547 4.668 4.120 0.001 0.000 0.290 268 V C 0.681 176.793 176.094 0.030 0.000 1.017 268 V CA -0.257 62.061 62.300 0.030 0.000 0.841 268 V CB 0.869 32.700 31.823 0.012 0.000 1.003 268 V HN 1.267 nan 8.190 nan 0.000 0.426 269 A N 4.283 127.134 122.820 0.052 0.000 2.346 269 A HA 0.673 4.994 4.320 0.001 0.000 0.252 269 A C 0.386 177.976 177.584 0.010 0.000 1.089 269 A CA -0.168 51.898 52.037 0.048 0.000 0.797 269 A CB 0.680 19.742 19.000 0.104 0.000 1.047 269 A HN 1.519 nan 8.150 nan 0.000 0.494 270 V N 0.020 119.915 119.914 -0.032 0.000 2.686 270 V HA 0.580 4.701 4.120 0.001 0.000 0.295 270 V C 0.936 176.990 176.094 -0.067 0.000 1.055 270 V CA -0.501 61.760 62.300 -0.064 0.000 1.050 270 V CB -0.159 31.599 31.823 -0.107 0.000 0.984 270 V HN 1.462 nan 8.190 nan 0.000 0.482 271 G N 3.684 112.461 108.800 -0.038 0.000 2.341 271 G HA2 0.046 4.007 3.960 0.001 0.000 0.231 271 G HA3 0.046 4.007 3.960 0.001 0.000 0.231 271 G C -0.052 174.828 174.900 -0.034 0.000 1.206 271 G CA -0.133 44.969 45.100 0.003 0.000 0.865 271 G HN 0.928 nan 8.290 nan 0.000 0.515 272 N N -0.530 118.189 118.700 0.032 0.000 2.457 272 N HA 0.514 5.254 4.740 0.001 0.000 0.290 272 N C -0.673 174.896 175.510 0.099 0.000 1.232 272 N CA -0.578 52.480 53.050 0.013 0.000 0.852 272 N CB 2.195 40.717 38.487 0.059 0.000 1.313 272 N HN 0.231 nan 8.380 nan 0.000 0.522 273 V N 1.306 121.284 119.914 0.106 0.000 2.483 273 V HA 0.061 4.182 4.120 0.001 0.000 0.295 273 V C 0.853 177.038 176.094 0.151 0.000 1.035 273 V CA -0.597 61.798 62.300 0.158 0.000 0.896 273 V CB 1.585 33.533 31.823 0.209 0.000 0.986 273 V HN 0.757 nan 8.190 nan 0.000 0.447 274 D N 4.240 124.703 120.400 0.106 0.000 2.133 274 D HA -0.239 4.402 4.640 0.001 0.000 0.192 274 D C 1.784 178.083 176.300 -0.002 0.000 1.001 274 D CA 1.967 55.993 54.000 0.043 0.000 0.844 274 D CB -0.160 40.639 40.800 -0.003 0.000 0.944 274 D HN 0.557 nan 8.370 nan 0.000 0.447 275 A N 0.426 123.211 122.820 -0.058 0.000 1.854 275 A HA -0.168 4.153 4.320 0.001 0.000 0.214 275 A C 2.208 179.678 177.584 -0.191 0.000 1.192 275 A CA 1.437 53.367 52.037 -0.179 0.000 0.611 275 A CB -0.974 17.829 19.000 -0.328 0.000 0.832 275 A HN 0.390 nan 8.150 nan 0.000 0.442 276 H N -0.191 118.844 119.070 -0.059 0.000 2.422 276 H HA -0.089 4.467 4.556 0.001 0.000 0.298 276 H C 2.403 177.767 175.328 0.060 0.000 1.098 276 H CA 1.363 57.392 56.048 -0.031 0.000 1.315 276 H CB -0.376 29.350 29.762 -0.061 0.000 1.382 276 H HN 0.537 nan 8.280 nan 0.000 0.523 277 A N 1.272 124.207 122.820 0.192 0.000 2.070 277 A HA -0.021 4.299 4.320 0.001 0.000 0.220 277 A C 2.660 180.310 177.584 0.111 0.000 1.159 277 A CA 1.174 53.342 52.037 0.219 0.000 0.656 277 A CB -0.531 18.581 19.000 0.187 0.000 0.800 277 A HN 0.445 nan 8.150 nan 0.000 0.453 278 A N -0.460 122.384 122.820 0.040 0.000 1.969 278 A HA 0.073 4.394 4.320 0.001 0.000 0.218 278 A C 2.146 179.712 177.584 -0.031 0.000 1.169 278 A CA 1.469 53.501 52.037 -0.009 0.000 0.635 278 A CB -0.741 18.237 19.000 -0.037 0.000 0.810 278 A HN 0.342 nan 8.150 nan 0.000 0.445 279 V N 1.265 121.170 119.914 -0.015 0.000 2.252 279 V HA -0.193 3.928 4.120 0.001 0.000 0.249 279 V C 0.040 176.073 176.094 -0.102 0.000 1.056 279 V CA 2.603 64.872 62.300 -0.052 0.000 1.022 279 V CB -1.564 30.261 31.823 0.002 0.000 0.641 279 V HN 0.511 nan 8.190 nan 0.000 0.445 280 P HA -0.037 nan 4.420 nan 0.000 0.225 280 P C 1.400 178.594 177.300 -0.177 0.000 1.156 280 P CA 1.733 64.730 63.100 -0.172 0.000 0.787 280 P CB 0.049 31.575 31.700 -0.292 0.000 0.802 281 A N 0.097 122.841 122.820 -0.127 0.000 2.121 281 A HA -0.001 4.320 4.320 0.001 0.000 0.218 281 A C 1.937 179.464 177.584 -0.095 0.000 1.154 281 A CA 1.124 53.100 52.037 -0.101 0.000 0.679 281 A CB -1.068 17.898 19.000 -0.057 0.000 0.795 281 A HN 0.126 nan 8.150 nan 0.000 0.458 282 V N -1.125 118.714 119.914 -0.124 0.000 3.376 282 V HA 0.373 4.494 4.120 0.001 0.000 0.313 282 V C 1.568 177.519 176.094 -0.238 0.000 1.393 282 V CA 0.596 62.818 62.300 -0.130 0.000 1.125 282 V CB -0.669 31.089 31.823 -0.108 0.000 1.037 282 V HN 0.930 nan 8.190 nan 0.000 0.440 283 G N 0.630 109.299 108.800 -0.219 0.000 2.159 283 G HA2 -0.230 3.731 3.960 0.001 0.000 0.256 283 G HA3 -0.230 3.731 3.960 0.001 0.000 0.256 283 G C 0.217 174.940 174.900 -0.296 0.000 0.977 283 G CA 0.223 45.187 45.100 -0.226 0.000 0.652 283 G HN 0.452 nan 8.290 nan 0.000 0.531 284 V N 0.826 120.517 119.914 -0.371 0.000 2.385 284 V HA 0.679 4.799 4.120 0.001 0.000 0.269 284 V C 0.988 176.966 176.094 -0.193 0.000 1.043 284 V CA 1.013 63.106 62.300 -0.344 0.000 0.906 284 V CB 1.428 32.998 31.823 -0.421 0.000 0.995 284 V HN 0.416 nan 8.190 nan 0.000 0.467 285 T N 2.526 116.991 114.554 -0.149 0.000 3.262 285 T HA 0.211 4.562 4.350 0.001 0.000 0.300 285 T C 0.196 174.821 174.700 -0.126 0.000 0.959 285 T CA 0.546 62.599 62.100 -0.078 0.000 0.936 285 T CB -0.145 68.701 68.868 -0.036 0.000 1.169 285 T HN 0.861 nan 8.240 nan 0.000 0.532 286 T N -0.343 114.074 114.554 -0.229 0.000 2.883 286 T HA 0.747 5.098 4.350 0.001 0.000 0.301 286 T C -3.221 171.279 174.700 -0.333 0.000 1.158 286 T CA -1.710 60.176 62.100 -0.356 0.000 1.007 286 T CB 1.641 70.433 68.868 -0.127 0.000 1.186 286 T HN -0.205 nan 8.240 nan 0.000 0.499 287 P HA 0.405 nan 4.420 nan 0.000 0.272 287 P C 1.199 178.446 177.300 -0.088 0.000 1.254 287 P CA 1.235 64.209 63.100 -0.210 0.000 0.795 287 P CB -0.109 31.502 31.700 -0.149 0.000 1.022 288 G N -1.034 107.698 108.800 -0.114 0.000 2.179 288 G HA2 -0.256 3.704 3.960 0.001 0.000 0.260 288 G HA3 -0.256 3.704 3.960 0.001 0.000 0.260 288 G C -0.220 174.653 174.900 -0.045 0.000 0.977 288 G CA 0.221 45.229 45.100 -0.153 0.000 0.641 288 G HN 0.545 nan 8.290 nan 0.000 0.533 289 K N -0.183 120.215 120.400 -0.002 0.000 2.535 289 K HA 0.657 4.977 4.320 0.001 0.000 0.253 289 K C -0.545 176.102 176.600 0.080 0.000 0.953 289 K CA -0.818 55.542 56.287 0.123 0.000 0.863 289 K CB 2.353 35.001 32.500 0.245 0.000 1.111 289 K HN 0.144 nan 8.250 nan 0.000 0.431 290 L N 3.604 124.882 121.223 0.092 0.000 2.305 290 L HA 0.362 4.703 4.340 0.001 0.000 0.281 290 L C -0.960 176.003 176.870 0.154 0.000 1.085 290 L CA -0.343 54.531 54.840 0.058 0.000 0.813 290 L CB 1.106 43.187 42.059 0.037 0.000 1.157 290 L HN 0.379 nan 8.230 nan 0.000 0.436 291 V N 6.518 126.489 119.914 0.095 0.000 2.398 291 V HA 0.447 4.567 4.120 0.001 0.000 0.286 291 V C 0.051 176.177 176.094 0.053 0.000 1.026 291 V CA -0.486 61.871 62.300 0.095 0.000 0.868 291 V CB 1.464 33.291 31.823 0.008 0.000 0.982 291 V HN 0.751 nan 8.190 nan 0.000 0.443 292 M N 4.369 123.995 119.600 0.042 0.000 2.072 292 M HA 0.579 5.059 4.480 0.001 0.000 0.331 292 M C 0.004 176.247 176.300 -0.095 0.000 1.004 292 M CA -0.429 54.837 55.300 -0.057 0.000 0.952 292 M CB 1.756 34.350 32.600 -0.009 0.000 1.511 292 M HN 0.662 nan 8.290 nan 0.000 0.422 293 A N 6.004 128.743 122.820 -0.134 0.000 2.437 293 A HA 0.615 4.936 4.320 0.001 0.000 0.303 293 A C -0.175 177.332 177.584 -0.128 0.000 1.324 293 A CA -0.328 51.640 52.037 -0.115 0.000 0.983 293 A CB -0.181 18.744 19.000 -0.125 0.000 1.142 293 A HN 0.907 nan 8.150 nan 0.000 0.541 294 M N 3.210 122.742 119.600 -0.112 0.000 2.129 294 M HA 0.571 5.052 4.480 0.001 0.000 0.348 294 M C 0.867 177.124 176.300 -0.072 0.000 1.116 294 M CA 0.116 55.349 55.300 -0.112 0.000 1.022 294 M CB 1.780 34.285 32.600 -0.159 0.000 1.599 294 M HN 0.756 nan 8.290 nan 0.000 0.449 295 G N 0.304 109.074 108.800 -0.051 0.000 3.349 295 G HA2 0.031 3.992 3.960 0.001 0.000 0.155 295 G HA3 0.031 3.992 3.960 0.001 0.000 0.155 295 G C 0.364 175.258 174.900 -0.010 0.000 1.219 295 G CA 0.124 45.212 45.100 -0.020 0.000 1.356 295 G HN 0.447 nan 8.290 nan 0.000 0.687 296 T N 0.543 115.105 114.554 0.013 0.000 2.833 296 T HA 0.184 4.535 4.350 0.001 0.000 0.269 296 T C 1.113 175.817 174.700 0.007 0.000 1.054 296 T CA 2.296 64.412 62.100 0.027 0.000 1.135 296 T CB -0.512 68.404 68.868 0.080 0.000 0.869 296 T HN 1.081 nan 8.240 nan 0.000 0.466 297 S N -1.319 114.387 115.700 0.010 0.000 2.790 297 S HA 0.693 5.164 4.470 0.001 0.000 0.292 297 S C -1.350 173.242 174.600 -0.013 0.000 1.197 297 S CA -1.122 57.090 58.200 0.019 0.000 0.851 297 S CB 1.473 64.713 63.200 0.066 0.000 1.217 297 S HN 0.197 nan 8.310 nan 0.000 0.526 298 I N 0.567 121.129 120.570 -0.013 0.000 2.545 298 I HA 0.479 4.650 4.170 0.001 0.000 0.292 298 I C -0.927 175.089 176.117 -0.168 0.000 1.040 298 I CA -0.686 60.527 61.300 -0.145 0.000 1.068 298 I CB 1.980 39.823 38.000 -0.262 0.000 1.251 298 I HN 0.858 nan 8.210 nan 0.000 0.424 299 C N 6.473 125.651 119.300 -0.204 0.000 2.225 299 C HA 0.495 4.956 4.460 0.001 0.000 0.323 299 C C -0.131 174.759 174.990 -0.168 0.000 1.164 299 C CA -0.479 58.469 59.018 -0.118 0.000 1.565 299 C CB -1.238 26.427 27.740 -0.126 0.000 2.124 299 C HN 0.716 nan 8.230 nan 0.000 0.461 300 H N 5.066 124.181 119.070 0.076 0.000 2.620 300 H HA 0.539 5.095 4.556 0.001 0.000 0.313 300 H C 0.044 175.393 175.328 0.036 0.000 1.075 300 H CA 0.430 56.525 56.048 0.077 0.000 1.397 300 H CB 0.679 30.538 29.762 0.160 0.000 1.446 300 H HN 0.626 nan 8.280 nan 0.000 0.493 301 M N 3.462 123.103 119.600 0.069 0.000 2.465 301 M HA 0.416 4.897 4.480 0.001 0.000 0.316 301 M C -1.441 174.839 176.300 -0.034 0.000 1.121 301 M CA -0.947 54.361 55.300 0.013 0.000 0.934 301 M CB 2.434 35.004 32.600 -0.050 0.000 1.692 301 M HN 0.412 nan 8.290 nan 0.000 0.444 302 L N 3.178 124.371 121.223 -0.051 0.000 2.505 302 L HA 0.667 5.008 4.340 0.001 0.000 0.259 302 L C -2.073 174.819 176.870 0.036 0.000 0.952 302 L CA -0.331 54.437 54.840 -0.121 0.000 0.840 302 L CB 2.012 43.807 42.059 -0.439 0.000 1.358 302 L HN 0.700 nan 8.230 nan 0.000 0.409 303 L N 3.589 124.806 121.223 -0.010 0.000 2.343 303 L HA 0.953 5.294 4.340 0.001 0.000 0.275 303 L C 0.515 177.412 176.870 0.046 0.000 1.056 303 L CA -0.345 54.514 54.840 0.032 0.000 0.804 303 L CB 1.502 43.465 42.059 -0.160 0.000 1.203 303 L HN 0.824 nan 8.230 nan 0.000 0.440 304 G N 0.680 109.598 108.800 0.196 0.000 2.690 304 G HA2 0.409 4.370 3.960 0.001 0.000 0.291 304 G HA3 0.409 4.370 3.960 0.001 0.000 0.291 304 G C -0.365 174.704 174.900 0.282 0.000 1.403 304 G CA -0.283 44.950 45.100 0.221 0.000 0.864 304 G HN 0.653 nan 8.290 nan 0.000 0.480 305 E N -0.409 119.932 120.200 0.235 0.000 2.400 305 E HA 0.286 4.636 4.350 0.001 0.000 0.195 305 E C 1.465 178.163 176.600 0.164 0.000 1.012 305 E CA 0.946 57.489 56.400 0.238 0.000 0.875 305 E CB 0.319 30.138 29.700 0.199 0.000 0.859 305 E HN 0.619 nan 8.360 nan 0.000 0.498 306 K N 1.110 121.612 120.400 0.170 0.000 2.400 306 K HA 0.393 4.714 4.320 0.001 0.000 0.246 306 K C -1.053 175.662 176.600 0.191 0.000 0.995 306 K CA -0.734 55.635 56.287 0.137 0.000 0.840 306 K CB 1.200 nan 32.500 nan 0.000 1.293 306 K HN 0.068 nan 8.250 nan 0.000 0.445 307 E N 1.967 122.247 120.200 0.133 0.000 2.194 307 E HA 0.219 4.569 4.350 0.001 0.000 0.284 307 E C -0.817 175.892 176.600 0.182 0.000 1.035 307 E CA -0.428 56.058 56.400 0.144 0.000 0.836 307 E CB 0.677 30.412 29.700 0.059 0.000 1.070 307 E HN 0.422 nan 8.360 nan 0.000 0.401 308 Q N 3.370 123.358 119.800 0.314 0.000 2.356 308 Q HA 0.205 4.546 4.340 0.001 0.000 0.270 308 Q C -0.959 175.186 176.000 0.241 0.000 1.058 308 Q CA -0.585 55.354 55.803 0.226 0.000 0.802 308 Q CB 1.982 30.831 28.738 0.184 0.000 1.303 308 Q HN 0.652 nan 8.270 nan 0.000 0.444 309 E N 1.761 122.033 120.200 0.120 0.000 1.892 309 E HA 0.180 4.530 4.350 0.001 0.000 0.271 309 E C -0.248 176.387 176.600 0.058 0.000 1.146 309 E CA -0.190 56.262 56.400 0.087 0.000 1.096 309 E CB 0.354 30.073 29.700 0.032 0.000 1.155 309 E HN 0.217 nan 8.360 nan 0.000 0.458 310 V N 2.406 122.367 119.914 0.079 0.000 2.585 310 V HA -0.073 4.048 4.120 0.001 0.000 0.296 310 V C 0.858 176.896 176.094 -0.094 0.000 1.035 310 V CA 0.007 62.258 62.300 -0.081 0.000 1.084 310 V CB 0.604 32.250 31.823 -0.295 0.000 0.953 310 V HN 0.608 nan 8.190 nan 0.000 0.483 311 E N 3.668 123.802 120.200 -0.110 0.000 2.480 311 E HA 0.210 4.561 4.350 0.001 0.000 0.258 311 E C 1.288 177.850 176.600 -0.064 0.000 0.984 311 E CA 0.737 57.100 56.400 -0.062 0.000 0.930 311 E CB 0.049 29.724 29.700 -0.042 0.000 0.936 311 E HN 1.078 nan 8.360 nan 0.000 0.466 312 G N 4.216 113.015 108.800 -0.000 0.000 2.175 312 G HA2 -0.350 3.611 3.960 0.001 0.000 0.265 312 G HA3 -0.350 3.611 3.960 0.001 0.000 0.265 312 G C 0.441 175.388 174.900 0.079 0.000 0.979 312 G CA 0.699 45.822 45.100 0.038 0.000 0.663 312 G HN 0.671 nan 8.290 nan 0.000 0.533 313 M N -1.003 118.640 119.600 0.072 0.000 2.240 313 M HA 0.484 4.964 4.480 0.001 0.000 0.317 313 M C 1.580 178.048 176.300 0.280 0.000 1.087 313 M CA 0.407 55.818 55.300 0.186 0.000 1.176 313 M CB 0.486 33.234 32.600 0.248 0.000 1.439 313 M HN 0.030 nan 8.290 nan 0.000 0.452 314 C N 0.884 120.407 119.300 0.372 0.000 2.485 314 C HA 0.467 4.928 4.460 0.001 0.000 0.278 314 C C 1.244 176.553 174.990 0.531 0.000 1.356 314 C CA 0.631 59.941 59.018 0.486 0.000 1.747 314 C CB -0.660 27.375 27.740 0.492 0.000 2.001 314 C HN 1.018 nan 8.230 nan 0.000 0.501 315 G N -1.356 107.679 108.800 0.393 0.000 2.387 315 G HA2 0.460 4.420 3.960 0.001 0.000 0.294 315 G HA3 0.460 4.420 3.960 0.001 0.000 0.294 315 G C -2.095 172.897 174.900 0.153 0.000 1.509 315 G CA 0.111 45.312 45.100 0.167 0.000 0.806 315 G HN 0.288 nan 8.290 nan 0.000 0.546 316 V N -0.208 119.587 119.914 -0.200 0.000 2.777 316 V HA 0.855 4.976 4.120 0.001 0.000 0.306 316 V C -1.279 174.573 176.094 -0.405 0.000 1.112 316 V CA -0.203 61.910 62.300 -0.311 0.000 0.917 316 V CB 1.585 33.128 31.823 -0.466 0.000 1.018 316 V HN 2.148 nan 8.190 nan 0.000 0.426 317 V N 4.922 124.591 119.914 -0.408 0.000 2.924 317 V HA 0.598 4.718 4.120 0.001 0.000 0.300 317 V C -0.637 175.319 176.094 -0.230 0.000 1.227 317 V CA -0.393 61.684 62.300 -0.372 0.000 0.954 317 V CB 2.055 33.589 31.823 -0.481 0.000 1.055 317 V HN 1.117 nan 8.190 nan 0.000 0.429 318 E N 4.051 124.109 120.200 -0.237 0.000 2.376 318 E HA 0.230 4.581 4.350 0.001 0.000 0.266 318 E C 0.011 176.611 176.600 -0.000 0.000 1.009 318 E CA 0.823 57.146 56.400 -0.129 0.000 0.902 318 E CB 0.398 29.975 29.700 -0.206 0.000 0.972 318 E HN 0.847 nan 8.360 nan 0.000 0.439 319 D N 2.192 122.612 120.400 0.033 0.000 3.059 319 D HA -0.198 4.442 4.640 0.001 0.000 0.220 319 D C 0.904 177.239 176.300 0.058 0.000 1.169 319 D CA 1.024 55.059 54.000 0.058 0.000 0.902 319 D CB -1.542 39.285 40.800 0.045 0.000 1.116 319 D HN 0.691 nan 8.370 nan 0.000 0.417 320 G N -0.360 108.480 108.800 0.067 0.000 2.422 320 G HA2 0.063 4.024 3.960 0.001 0.000 0.218 320 G HA3 0.063 4.024 3.960 0.001 0.000 0.218 320 G C 1.625 176.669 174.900 0.241 0.000 1.140 320 G CA 0.935 46.099 45.100 0.107 0.000 0.775 320 G HN 0.477 nan 8.290 nan 0.000 0.545 321 I N -1.019 119.690 120.570 0.231 0.000 3.878 321 I HA 0.308 4.478 4.170 0.001 0.000 0.273 321 I C -0.466 175.809 176.117 0.264 0.000 1.165 321 I CA 0.026 61.475 61.300 0.248 0.000 1.360 321 I CB 0.852 39.017 38.000 0.274 0.000 1.539 321 I HN -0.147 nan 8.210 nan 0.000 0.447 322 I N 2.519 123.242 120.570 0.255 0.000 2.439 322 I HA 0.345 4.516 4.170 0.001 0.000 0.285 322 I C -2.550 173.724 176.117 0.262 0.000 1.021 322 I CA -2.511 58.967 61.300 0.298 0.000 1.091 322 I CB 1.081 39.253 38.000 0.288 0.000 1.242 322 I HN -0.240 nan 8.210 nan 0.000 0.439 323 P HA 0.159 nan 4.420 nan 0.000 0.262 323 P C 0.826 178.133 177.300 0.011 0.000 1.182 323 P CA 0.773 63.930 63.100 0.095 0.000 0.761 323 P CB 0.493 32.247 31.700 0.091 0.000 0.795 324 G N 0.884 109.637 108.800 -0.079 0.000 2.131 324 G HA2 -0.202 3.759 3.960 0.001 0.000 0.223 324 G HA3 -0.202 3.759 3.960 0.001 0.000 0.223 324 G C -0.564 174.015 174.900 -0.536 0.000 0.990 324 G CA -0.450 44.473 45.100 -0.294 0.000 0.671 324 G HN 0.443 nan 8.290 nan 0.000 0.521 325 Y N -1.777 118.539 120.300 0.027 0.000 2.581 325 Y HA 0.641 5.191 4.550 0.001 0.000 0.337 325 Y C 0.094 176.002 175.900 0.013 0.000 1.108 325 Y CA -1.193 56.927 58.100 0.033 0.000 1.033 325 Y CB 1.126 39.619 38.460 0.056 0.000 1.318 325 Y HN 0.116 nan 8.280 nan 0.000 0.459 326 L N 1.869 123.207 121.223 0.191 0.000 2.349 326 L HA 0.639 4.979 4.340 0.001 0.000 0.275 326 L C 0.669 177.557 176.870 0.030 0.000 1.115 326 L CA 0.256 55.102 54.840 0.010 0.000 0.820 326 L CB 0.799 42.804 42.059 -0.090 0.000 1.135 326 L HN 0.824 nan 8.230 nan 0.000 0.445 327 G N 2.227 111.016 108.800 -0.018 0.000 2.343 327 G HA2 0.496 4.457 3.960 0.001 0.000 0.319 327 G HA3 0.496 4.457 3.960 0.001 0.000 0.319 327 G C -1.503 173.441 174.900 0.073 0.000 1.126 327 G CA -0.182 45.002 45.100 0.141 0.000 0.889 327 G HN 0.332 nan 8.290 nan 0.000 0.457 328 Y N 0.287 120.708 120.300 0.202 0.000 2.409 328 Y HA 0.540 5.091 4.550 0.001 0.000 0.339 328 Y C 0.411 176.437 175.900 0.210 0.000 1.033 328 Y CA -0.703 57.527 58.100 0.216 0.000 1.094 328 Y CB 2.527 41.017 38.460 0.049 0.000 1.210 328 Y HN 0.552 nan 8.280 nan 0.000 0.456 329 E N 1.954 122.443 120.200 0.483 0.000 2.292 329 E HA 0.830 5.180 4.350 0.001 0.000 0.272 329 E C -1.792 175.080 176.600 0.454 0.000 0.881 329 E CA -0.828 55.775 56.400 0.339 0.000 0.754 329 E CB 1.669 31.482 29.700 0.189 0.000 1.201 329 E HN 0.748 nan 8.360 nan 0.000 0.425 330 A N 2.346 125.426 122.820 0.434 0.000 2.515 330 A HA 0.886 5.207 4.320 0.001 0.000 0.296 330 A C -0.741 177.086 177.584 0.405 0.000 1.094 330 A CA -0.241 52.064 52.037 0.446 0.000 0.718 330 A CB 1.986 21.309 19.000 0.538 0.000 1.307 330 A HN 0.565 nan 8.150 nan 0.000 0.408 331 G N -0.325 108.688 108.800 0.355 0.000 2.662 331 G HA2 0.556 4.516 3.960 0.001 0.000 0.302 331 G HA3 0.556 4.516 3.960 0.001 0.000 0.302 331 G C -1.263 173.825 174.900 0.313 0.000 1.389 331 G CA -0.307 44.986 45.100 0.322 0.000 0.998 331 G HN 0.712 nan 8.290 nan 0.000 0.502 332 Q N 1.604 121.596 119.800 0.320 0.000 2.372 332 Q HA 0.346 4.687 4.340 0.001 0.000 0.259 332 Q C 1.062 177.184 176.000 0.203 0.000 0.993 332 Q CA -0.568 55.415 55.803 0.299 0.000 0.854 332 Q CB 1.200 30.176 28.738 0.398 0.000 1.231 332 Q HN 0.551 nan 8.270 nan 0.000 0.462 333 S N 2.092 117.902 115.700 0.183 0.000 2.368 333 S HA -0.169 4.301 4.470 0.001 0.000 0.226 333 S C 0.340 175.016 174.600 0.126 0.000 1.044 333 S CA 1.494 59.780 58.200 0.143 0.000 1.062 333 S CB 0.036 63.309 63.200 0.122 0.000 0.931 333 S HN 0.714 nan 8.310 nan 0.000 0.440 334 A N -0.528 122.370 122.820 0.130 0.000 2.437 334 A HA 0.671 4.992 4.320 0.001 0.000 0.293 334 A C -0.013 177.556 177.584 -0.026 0.000 1.038 334 A CA -0.258 51.816 52.037 0.062 0.000 0.708 334 A CB 1.582 20.637 19.000 0.092 0.000 1.251 334 A HN 0.345 nan 8.150 nan 0.000 0.409 335 V N 2.292 122.111 119.914 -0.159 0.000 3.889 335 V HA 0.398 4.519 4.120 0.001 0.000 0.184 335 V C 1.591 177.152 176.094 -0.888 0.000 1.311 335 V CA 1.821 63.884 62.300 -0.395 0.000 1.277 335 V CB -0.183 31.568 31.823 -0.121 0.000 1.364 335 V HN 1.277 nan 8.190 nan 0.000 0.567 336 G N -0.068 108.453 108.800 -0.466 0.000 2.432 336 G HA2 -0.186 3.775 3.960 0.001 0.000 0.219 336 G HA3 -0.186 3.775 3.960 0.001 0.000 0.219 336 G C 1.146 175.923 174.900 -0.206 0.000 1.135 336 G CA 1.171 46.078 45.100 -0.322 0.000 0.767 336 G HN 0.572 nan 8.290 nan 0.000 0.550 337 D N 0.659 120.979 120.400 -0.133 0.000 2.144 337 D HA -0.057 4.584 4.640 0.001 0.000 0.200 337 D C 2.594 178.917 176.300 0.039 0.000 0.978 337 D CA 0.439 54.451 54.000 0.019 0.000 0.833 337 D CB -0.069 40.772 40.800 0.068 0.000 0.961 337 D HN 0.374 nan 8.370 nan 0.000 0.470 338 I N 0.495 120.952 120.570 -0.187 0.000 2.226 338 I HA -0.261 3.909 4.170 0.001 0.000 0.245 338 I C 2.042 178.230 176.117 0.119 0.000 1.100 338 I CA 0.776 61.944 61.300 -0.220 0.000 1.374 338 I CB -0.316 37.340 38.000 -0.574 0.000 1.057 338 I HN -0.093 nan 8.210 nan 0.000 0.413 339 F N 1.269 121.329 119.950 0.184 0.000 2.186 339 F HA -0.073 4.455 4.527 0.001 0.000 0.299 339 F C 2.668 178.724 175.800 0.428 0.000 1.090 339 F CA 0.677 58.887 58.000 0.349 0.000 1.307 339 F CB -1.566 37.660 39.000 0.377 0.000 1.019 339 F HN -0.006 nan 8.300 nan 0.000 0.489 340 A N -0.327 122.781 122.820 0.480 0.000 1.873 340 A HA -0.222 4.099 4.320 0.001 0.000 0.215 340 A C 2.126 179.897 177.584 0.313 0.000 1.186 340 A CA 1.377 53.644 52.037 0.383 0.000 0.616 340 A CB -1.650 17.510 19.000 0.267 0.000 0.823 340 A HN 0.553 nan 8.150 nan 0.000 0.442 341 W N -0.068 121.355 121.300 0.204 0.000 2.333 341 W HA -0.260 4.401 4.660 0.001 0.000 0.316 341 W C 1.803 178.485 176.519 0.272 0.000 1.215 341 W CA 2.150 59.635 57.345 0.233 0.000 1.278 341 W CB -0.653 28.979 29.460 0.287 0.000 1.154 341 W HN 0.346 nan 8.180 nan 0.000 0.486 342 F N 0.607 120.627 119.950 0.116 0.000 2.161 342 F HA -0.223 4.304 4.527 0.001 0.000 0.300 342 F C 2.057 177.732 175.800 -0.208 0.000 1.089 342 F CA 2.331 60.233 58.000 -0.163 0.000 1.282 342 F CB -0.932 38.221 39.000 0.255 0.000 1.010 342 F HN -0.197 nan 8.300 nan 0.000 0.485 343 V N 1.052 120.856 119.914 -0.182 0.000 2.453 343 V HA -0.265 3.856 4.120 0.001 0.000 0.247 343 V C 2.410 178.355 176.094 -0.248 0.000 1.048 343 V CA 2.156 64.287 62.300 -0.281 0.000 1.049 343 V CB -0.715 30.968 31.823 -0.233 0.000 0.672 343 V HN 0.435 nan 8.190 nan 0.000 0.457 344 K N -1.241 118.971 120.400 -0.313 0.000 2.243 344 K HA -0.101 4.220 4.320 0.001 0.000 0.201 344 K C 1.761 177.971 176.600 -0.650 0.000 1.051 344 K CA 1.319 57.335 56.287 -0.452 0.000 0.970 344 K CB -0.023 32.182 32.500 -0.491 0.000 0.755 344 K HN 0.501 nan 8.250 nan 0.000 0.465 345 H N -1.643 117.105 119.070 -0.537 0.000 3.241 345 H HA 0.249 4.806 4.556 0.001 0.000 0.260 345 H C 1.310 176.294 175.328 -0.574 0.000 1.084 345 H CA 0.711 56.432 56.048 -0.543 0.000 1.203 345 H CB 1.539 30.950 29.762 -0.585 0.000 1.524 345 H HN 0.409 nan 8.280 nan 0.000 0.521 346 G N 0.521 108.923 108.800 -0.664 0.000 3.079 346 G HA2 0.158 4.119 3.960 0.001 0.000 0.233 346 G HA3 0.158 4.119 3.960 0.001 0.000 0.233 346 G C -0.084 174.433 174.900 -0.638 0.000 1.062 346 G CA 0.200 44.985 45.100 -0.525 0.000 0.809 346 G HN 0.106 nan 8.290 nan 0.000 0.535 347 V N 2.767 122.220 119.914 -0.769 0.000 2.394 347 V HA 0.562 4.682 4.120 0.001 0.000 0.282 347 V C 0.558 176.538 176.094 -0.190 0.000 1.031 347 V CA -0.620 61.379 62.300 -0.502 0.000 0.881 347 V CB 1.135 32.663 31.823 -0.492 0.000 0.982 347 V HN 0.373 nan 8.190 nan 0.000 0.451 348 S N 5.749 121.398 115.700 -0.084 0.000 2.580 348 S HA 0.311 4.782 4.470 0.001 0.000 0.266 348 S C 1.412 176.006 174.600 -0.010 0.000 1.354 348 S CA 0.099 58.270 58.200 -0.048 0.000 1.008 348 S CB 1.196 64.394 63.200 -0.003 0.000 0.898 348 S HN 1.531 nan 8.310 nan 0.000 0.555 349 A N 1.385 124.172 122.820 -0.055 0.000 2.015 349 A HA 0.225 4.546 4.320 0.001 0.000 0.219 349 A C 2.316 179.937 177.584 0.061 0.000 1.163 349 A CA 1.360 53.375 52.037 -0.037 0.000 0.646 349 A CB -1.496 17.456 19.000 -0.081 0.000 0.806 349 A HN 1.231 nan 8.150 nan 0.000 0.448 350 A N -0.428 122.416 122.820 0.040 0.000 1.877 350 A HA -0.154 4.167 4.320 0.001 0.000 0.216 350 A C 2.480 180.096 177.584 0.053 0.000 1.186 350 A CA 2.522 54.583 52.037 0.041 0.000 0.620 350 A CB -1.348 17.669 19.000 0.028 0.000 0.822 350 A HN 0.697 nan 8.150 nan 0.000 0.443 351 T N -2.837 111.753 114.554 0.060 0.000 2.915 351 T HA -0.094 4.257 4.350 0.001 0.000 0.269 351 T C 1.596 176.305 174.700 0.015 0.000 1.071 351 T CA 1.472 63.586 62.100 0.023 0.000 1.132 351 T CB -0.478 68.390 68.868 0.000 0.000 0.878 351 T HN 0.235 nan 8.240 nan 0.000 0.479 352 F N 2.133 122.030 119.950 -0.089 0.000 2.146 352 F HA 0.048 4.576 4.527 0.001 0.000 0.298 352 F C 2.218 177.981 175.800 -0.063 0.000 1.096 352 F CA 1.584 59.531 58.000 -0.090 0.000 1.275 352 F CB -0.266 38.677 39.000 -0.095 0.000 1.008 352 F HN 0.201 nan 8.300 nan 0.000 0.480 353 D N -0.276 120.209 120.400 0.140 0.000 2.144 353 D HA -0.193 4.447 4.640 0.001 0.000 0.200 353 D C 2.116 178.426 176.300 0.016 0.000 0.978 353 D CA 1.149 55.188 54.000 0.065 0.000 0.833 353 D CB -0.540 40.289 40.800 0.047 0.000 0.961 353 D HN 0.393 nan 8.370 nan 0.000 0.470 354 E N 0.551 120.753 120.200 0.003 0.000 2.085 354 E HA -0.189 4.162 4.350 0.001 0.000 0.194 354 E C 1.971 178.544 176.600 -0.046 0.000 0.994 354 E CA 1.115 57.503 56.400 -0.019 0.000 0.801 354 E CB 0.038 29.724 29.700 -0.022 0.000 0.743 354 E HN 0.184 nan 8.360 nan 0.000 0.453 355 A N 0.892 123.661 122.820 -0.085 0.000 1.877 355 A HA -0.261 4.060 4.320 0.001 0.000 0.216 355 A C 2.130 179.660 177.584 -0.090 0.000 1.186 355 A CA 1.780 53.742 52.037 -0.125 0.000 0.620 355 A CB -0.687 18.167 19.000 -0.243 0.000 0.822 355 A HN 0.413 nan 8.150 nan 0.000 0.443 356 Q N -0.763 118.998 119.800 -0.065 0.000 2.167 356 Q HA -0.150 4.191 4.340 0.001 0.000 0.202 356 Q C 2.014 177.999 176.000 -0.024 0.000 0.970 356 Q CA 2.022 57.805 55.803 -0.034 0.000 0.855 356 Q CB -0.378 28.361 28.738 0.001 0.000 0.911 356 Q HN 0.696 nan 8.270 nan 0.000 0.438 357 E N 1.985 122.173 120.200 -0.020 0.000 2.118 357 E HA -0.224 4.127 4.350 0.001 0.000 0.195 357 E C 1.324 177.913 176.600 -0.020 0.000 0.992 357 E CA 1.742 58.133 56.400 -0.015 0.000 0.804 357 E CB -0.655 nan 29.700 nan 0.000 0.741 357 E HN 0.695 nan 8.360 nan 0.000 0.458 358 K N -1.462 118.920 120.400 -0.030 0.000 2.699 358 K HA 0.441 4.762 4.320 0.001 0.000 0.210 358 K C 1.107 177.687 176.600 -0.034 0.000 1.076 358 K CA 0.118 56.387 56.287 -0.030 0.000 1.109 358 K CB -0.060 32.421 32.500 -0.032 0.000 0.862 358 K HN 0.503 nan 8.250 nan 0.000 0.470 359 G N 0.864 109.644 108.800 -0.033 0.000 2.296 359 G HA2 -0.273 3.688 3.960 0.001 0.000 0.282 359 G HA3 -0.273 3.688 3.960 0.001 0.000 0.282 359 G C -0.136 174.737 174.900 -0.044 0.000 1.014 359 G CA 0.593 45.672 45.100 -0.034 0.000 0.812 359 G HN 0.384 nan 8.290 nan 0.000 0.508 360 V N -0.715 119.163 119.914 -0.061 0.000 2.960 360 V HA 0.703 4.824 4.120 0.001 0.000 0.315 360 V C 0.550 176.581 176.094 -0.105 0.000 1.087 360 V CA -0.839 61.417 62.300 -0.073 0.000 0.982 360 V CB 1.898 33.677 31.823 -0.073 0.000 1.039 360 V HN 0.491 nan 8.190 nan 0.000 0.437 361 N N 2.387 121.027 118.700 -0.100 0.000 2.508 361 N HA 0.112 4.853 4.740 0.001 0.000 0.264 361 N C 0.735 176.126 175.510 -0.198 0.000 1.216 361 N CA 0.667 53.642 53.050 -0.124 0.000 0.943 361 N CB 1.682 40.134 38.487 -0.059 0.000 1.113 361 N HN 0.495 nan 8.380 nan 0.000 0.447 362 V N 3.729 123.434 119.914 -0.349 0.000 2.490 362 V HA -0.223 3.897 4.120 0.001 0.000 0.250 362 V C 1.797 177.663 176.094 -0.381 0.000 1.061 362 V CA 1.815 63.816 62.300 -0.497 0.000 1.064 362 V CB -1.005 30.233 31.823 -0.975 0.000 0.670 362 V HN 0.778 nan 8.190 nan 0.000 0.461 363 H N 0.211 119.114 119.070 -0.278 0.000 2.321 363 H HA -0.093 4.464 4.556 0.001 0.000 0.300 363 H C 2.358 177.549 175.328 -0.228 0.000 1.087 363 H CA 1.860 57.764 56.048 -0.240 0.000 1.319 363 H CB -0.337 29.360 29.762 -0.108 0.000 1.379 363 H HN 0.569 nan 8.280 nan 0.000 0.501 364 A N 0.973 123.772 122.820 -0.036 0.000 1.902 364 A HA -0.130 4.190 4.320 0.001 0.000 0.217 364 A C 2.497 180.024 177.584 -0.096 0.000 1.181 364 A CA 1.258 53.260 52.037 -0.058 0.000 0.623 364 A CB -0.686 18.281 19.000 -0.056 0.000 0.818 364 A HN 0.303 nan 8.150 nan 0.000 0.443 365 L N -1.000 120.137 121.223 -0.142 0.000 2.056 365 L HA -0.059 4.281 4.340 0.001 0.000 0.207 365 L C 2.078 178.859 176.870 -0.148 0.000 1.078 365 L CA 1.502 56.261 54.840 -0.135 0.000 0.749 365 L CB -0.522 41.441 42.059 -0.160 0.000 0.901 365 L HN 0.243 nan 8.230 nan 0.000 0.433 366 L N -0.143 120.925 121.223 -0.259 0.000 2.083 366 L HA -0.179 4.162 4.340 0.001 0.000 0.209 366 L C 2.559 179.311 176.870 -0.198 0.000 1.083 366 L CA 1.704 56.326 54.840 -0.362 0.000 0.752 366 L CB -1.064 40.478 42.059 -0.861 0.000 0.899 366 L HN 0.510 nan 8.230 nan 0.000 0.433 367 E N -0.821 119.314 120.200 -0.108 0.000 2.047 367 E HA -0.193 4.158 4.350 0.001 0.000 0.191 367 E C 1.854 178.494 176.600 0.067 0.000 0.987 367 E CA 0.915 57.384 56.400 0.115 0.000 0.799 367 E CB 0.261 30.014 29.700 0.089 0.000 0.752 367 E HN 0.392 nan 8.360 nan 0.000 0.449 368 E N 0.940 121.147 120.200 0.012 0.000 2.077 368 E HA -0.191 4.160 4.350 0.001 0.000 0.193 368 E C 1.976 178.590 176.600 0.025 0.000 0.989 368 E CA 1.148 57.556 56.400 0.014 0.000 0.800 368 E CB -0.245 29.449 29.700 -0.009 0.000 0.746 368 E HN 0.219 nan 8.360 nan 0.000 0.452 369 K N 0.554 120.963 120.400 0.016 0.000 2.148 369 K HA 0.024 4.345 4.320 0.001 0.000 0.204 369 K C 1.994 178.627 176.600 0.055 0.000 1.050 369 K CA 1.089 57.392 56.287 0.027 0.000 0.942 369 K CB -0.050 32.459 32.500 0.014 0.000 0.724 369 K HN 0.089 nan 8.250 nan 0.000 0.446 370 A N 0.846 123.720 122.820 0.090 0.000 2.119 370 A HA -0.068 4.253 4.320 0.001 0.000 0.216 370 A C 1.920 179.550 177.584 0.076 0.000 1.152 370 A CA 1.298 53.399 52.037 0.107 0.000 0.708 370 A CB -0.302 18.815 19.000 0.195 0.000 0.805 370 A HN 0.321 nan 8.150 nan 0.000 0.460 371 S N -0.773 114.972 115.700 0.073 0.000 2.562 371 S HA -0.051 4.420 4.470 0.001 0.000 0.221 371 S C 1.421 176.060 174.600 0.066 0.000 0.975 371 S CA 0.529 58.772 58.200 0.073 0.000 0.918 371 S CB -0.119 63.126 63.200 0.074 0.000 0.772 371 S HN 0.548 nan 8.310 nan 0.000 0.531 372 Q N 0.868 120.699 119.800 0.051 0.000 2.331 372 Q HA 0.329 4.670 4.340 0.001 0.000 0.203 372 Q C 0.600 176.621 176.000 0.035 0.000 0.944 372 Q CA 0.193 56.021 55.803 0.042 0.000 0.892 372 Q CB -0.328 28.430 28.738 0.033 0.000 0.983 372 Q HN 0.560 nan 8.270 nan 0.000 0.482 373 L N 1.985 123.227 121.223 0.031 0.000 2.439 373 L HA 0.134 4.475 4.340 0.001 0.000 0.269 373 L C 0.589 177.452 176.870 -0.011 0.000 1.179 373 L CA -0.108 54.738 54.840 0.011 0.000 0.828 373 L CB 0.429 42.495 42.059 0.013 0.000 1.106 373 L HN -0.099 nan 8.230 nan 0.000 0.467 374 R N 2.740 123.212 120.500 -0.046 0.000 2.457 374 R HA 0.344 4.685 4.340 0.001 0.000 0.284 374 R C -2.314 173.873 176.300 -0.190 0.000 1.024 374 R CA -1.844 54.187 56.100 -0.115 0.000 1.025 374 R CB 0.346 30.586 30.300 -0.100 0.000 1.063 374 R HN 0.383 nan 8.270 nan 0.000 0.493 375 P HA -0.081 nan 4.420 nan 0.000 0.264 375 P C 0.506 177.597 177.300 -0.348 0.000 1.193 375 P CA 0.759 63.577 63.100 -0.470 0.000 0.763 375 P CB 0.785 31.881 31.700 -1.006 0.000 0.810 376 G N 2.711 111.374 108.800 -0.227 0.000 2.225 376 G HA2 -0.315 3.645 3.960 0.001 0.000 0.254 376 G HA3 -0.315 3.645 3.960 0.001 0.000 0.254 376 G C 1.034 175.884 174.900 -0.083 0.000 0.988 376 G CA 0.480 45.498 45.100 -0.137 0.000 0.625 376 G HN 0.561 nan 8.290 nan 0.000 0.527 377 E N 1.126 121.277 120.200 -0.082 0.000 2.077 377 E HA -0.119 4.232 4.350 0.001 0.000 0.193 377 E C 2.732 179.318 176.600 -0.023 0.000 0.989 377 E CA 2.019 58.391 56.400 -0.047 0.000 0.800 377 E CB -0.203 29.473 29.700 -0.040 0.000 0.746 377 E HN 0.792 nan 8.360 nan 0.000 0.452 378 S N -0.739 114.949 115.700 -0.019 0.000 2.399 378 S HA -0.047 4.423 4.470 0.001 0.000 0.231 378 S C 1.758 176.352 174.600 -0.009 0.000 1.022 378 S CA 1.004 59.201 58.200 -0.005 0.000 0.983 378 S CB -0.373 62.824 63.200 -0.005 0.000 0.803 378 S HN 0.553 nan 8.310 nan 0.000 0.480 379 G N 0.290 109.082 108.800 -0.014 0.000 2.143 379 G HA2 -0.190 3.770 3.960 0.001 0.000 0.248 379 G HA3 -0.190 3.770 3.960 0.001 0.000 0.248 379 G C -0.300 174.589 174.900 -0.018 0.000 0.991 379 G CA 0.354 45.447 45.100 -0.013 0.000 0.689 379 G HN 0.509 nan 8.290 nan 0.000 0.522 380 L N -0.461 120.749 121.223 -0.021 0.000 2.325 380 L HA 0.950 5.291 4.340 0.001 0.000 0.278 380 L C -0.092 176.791 176.870 0.023 0.000 1.023 380 L CA -1.205 53.609 54.840 -0.042 0.000 0.811 380 L CB 1.766 43.773 42.059 -0.087 0.000 1.249 380 L HN 0.250 nan 8.230 nan 0.000 0.431 381 L N 2.703 123.941 121.223 0.025 0.000 2.455 381 L HA 0.933 5.273 4.340 0.001 0.000 0.264 381 L C -1.115 175.819 176.870 0.106 0.000 0.968 381 L CA -0.182 54.724 54.840 0.108 0.000 0.827 381 L CB 1.809 43.916 42.059 0.080 0.000 1.317 381 L HN 0.681 nan 8.230 nan 0.000 0.407 382 A N 3.860 126.799 122.820 0.198 0.000 2.469 382 A HA 0.854 5.174 4.320 0.001 0.000 0.299 382 A C -2.002 175.715 177.584 0.223 0.000 1.098 382 A CA -0.534 51.619 52.037 0.194 0.000 0.737 382 A CB 1.546 20.687 19.000 0.235 0.000 1.312 382 A HN 0.552 nan 8.150 nan 0.000 0.414 383 L N 2.238 123.498 121.223 0.062 0.000 2.276 383 L HA 0.316 4.656 4.340 0.001 0.000 0.286 383 L C -0.076 176.810 176.870 0.028 0.000 1.024 383 L CA -0.377 54.310 54.840 -0.255 0.000 0.826 383 L CB 1.349 42.889 42.059 -0.864 0.000 1.211 383 L HN 0.744 nan 8.230 nan 0.000 0.422 384 D N 1.987 122.503 120.400 0.193 0.000 2.911 384 D HA -0.153 4.488 4.640 0.001 0.000 0.233 384 D C -0.006 176.653 176.300 0.598 0.000 1.134 384 D CA -0.042 54.181 54.000 0.373 0.000 1.011 384 D CB -0.266 40.712 40.800 0.297 0.000 1.174 384 D HN 0.355 nan 8.370 nan 0.000 0.440 385 W N -0.231 121.299 121.300 0.384 0.000 3.015 385 W HA 0.279 4.939 4.660 0.001 0.000 0.429 385 W C 1.084 177.696 176.519 0.155 0.000 0.976 385 W CA -1.711 55.752 57.345 0.197 0.000 2.086 385 W CB -1.361 28.126 29.460 0.045 0.000 1.125 385 W HN 0.267 nan 8.180 nan 0.000 0.721 386 W N 0.819 122.178 121.300 0.099 0.000 2.331 386 W HA -0.248 4.413 4.660 0.001 0.000 0.291 386 W C 0.850 177.349 176.519 -0.034 0.000 1.214 386 W CA 1.097 58.410 57.345 -0.055 0.000 1.228 386 W CB -0.271 29.094 29.460 -0.157 0.000 1.135 386 W HN 0.005 nan 8.180 nan 0.000 0.537 387 N N -0.945 117.897 118.700 0.237 0.000 2.553 387 N HA 0.293 5.034 4.740 0.001 0.000 0.298 387 N C 0.119 175.672 175.510 0.072 0.000 1.596 387 N CA 0.854 53.977 53.050 0.122 0.000 0.910 387 N CB 0.138 38.701 38.487 0.125 0.000 1.336 387 N HN 0.078 nan 8.380 nan 0.000 0.497 388 G N 1.090 109.916 108.800 0.043 0.000 2.645 388 G HA2 -0.260 3.701 3.960 0.001 0.000 0.239 388 G HA3 -0.260 3.701 3.960 0.001 0.000 0.239 388 G C -0.947 173.881 174.900 -0.119 0.000 1.331 388 G CA -0.339 44.714 45.100 -0.078 0.000 0.890 388 G HN 0.583 nan 8.290 nan 0.000 0.572 389 N N -0.602 117.967 118.700 -0.218 0.000 2.287 389 N HA 0.565 5.306 4.740 0.001 0.000 0.289 389 N C 0.608 176.069 175.510 -0.082 0.000 1.066 389 N CA -0.489 52.448 53.050 -0.188 0.000 0.841 389 N CB 2.202 40.388 38.487 -0.502 0.000 1.599 389 N HN 0.743 nan 8.380 nan 0.000 0.476 390 R N 1.691 122.206 120.500 0.026 0.000 2.013 390 R HA 0.376 4.717 4.340 0.001 0.000 0.198 390 R C -0.151 176.200 176.300 0.085 0.000 1.407 390 R CA 0.879 57.014 56.100 0.059 0.000 1.140 390 R CB -0.793 29.576 30.300 0.115 0.000 1.011 390 R HN 0.445 nan 8.270 nan 0.000 0.472 391 S N 1.384 117.167 115.700 0.139 0.000 2.510 391 S HA 0.296 4.767 4.470 0.001 0.000 0.279 391 S C 0.979 175.648 174.600 0.116 0.000 1.284 391 S CA 0.559 58.839 58.200 0.134 0.000 1.059 391 S CB 0.076 63.378 63.200 0.171 0.000 0.901 391 S HN 0.518 nan 8.310 nan 0.000 0.491 392 I N 1.340 121.952 120.570 0.070 0.000 4.186 392 I HA -0.269 3.901 4.170 0.001 0.000 0.098 392 I C 0.153 176.311 176.117 0.068 0.000 0.491 392 I CA 1.176 62.514 61.300 0.062 0.000 1.215 392 I CB -0.916 37.136 38.000 0.087 0.000 1.077 392 I HN 0.547 nan 8.210 nan 0.000 0.178 393 L N 1.607 122.857 121.223 0.045 0.000 2.515 393 L HA 0.412 4.753 4.340 0.001 0.000 0.223 393 L C 1.334 178.151 176.870 -0.087 0.000 1.079 393 L CA 1.461 56.268 54.840 -0.055 0.000 0.857 393 L CB 0.370 42.304 42.059 -0.209 0.000 1.050 393 L HN 0.371 nan 8.230 nan 0.000 0.476 394 V N 1.073 120.955 119.914 -0.053 0.000 5.726 394 V HA -0.262 3.859 4.120 0.001 0.000 0.260 394 V C -0.273 175.765 176.094 -0.093 0.000 0.657 394 V CA 1.082 63.355 62.300 -0.044 0.000 0.584 394 V CB -1.802 30.018 31.823 -0.004 0.000 0.241 394 V HN 0.508 nan 8.190 nan 0.000 0.652 395 D N 0.417 120.722 120.400 -0.157 0.000 2.602 395 D HA 0.426 5.067 4.640 0.001 0.000 0.245 395 D C 1.069 177.252 176.300 -0.196 0.000 1.325 395 D CA 0.243 54.132 54.000 -0.184 0.000 0.952 395 D CB 2.127 42.777 40.800 -0.250 0.000 1.317 395 D HN 0.437 nan 8.370 nan 0.000 0.577 396 T N 0.174 114.645 114.554 -0.138 0.000 3.088 396 T HA 0.014 4.364 4.350 0.001 0.000 0.259 396 T C 0.584 175.209 174.700 -0.125 0.000 1.122 396 T CA 0.340 62.368 62.100 -0.120 0.000 1.095 396 T CB 0.156 68.969 68.868 -0.092 0.000 0.930 396 T HN 0.179 nan 8.240 nan 0.000 0.508 397 E N 1.630 121.748 120.200 -0.138 0.000 2.368 397 E HA 0.427 4.778 4.350 0.001 0.000 0.283 397 E C -0.456 176.052 176.600 -0.153 0.000 1.476 397 E CA -0.045 56.281 56.400 -0.123 0.000 1.786 397 E CB -0.074 29.565 29.700 -0.102 0.000 1.518 397 E HN 0.610 nan 8.360 nan 0.000 0.456 398 L N 0.212 121.327 121.223 -0.179 0.000 2.409 398 L HA 0.414 4.755 4.340 0.001 0.000 0.262 398 L C 0.131 176.962 176.870 -0.065 0.000 0.992 398 L CA -0.782 53.947 54.840 -0.185 0.000 0.817 398 L CB 2.121 43.866 42.059 -0.523 0.000 1.350 398 L HN 0.047 nan 8.230 nan 0.000 0.411 399 S N -0.063 115.643 115.700 0.011 0.000 2.715 399 S HA 0.809 5.280 4.470 0.001 0.000 0.307 399 S C -0.172 174.389 174.600 -0.065 0.000 1.119 399 S CA -0.613 57.542 58.200 -0.074 0.000 0.937 399 S CB 1.764 64.853 63.200 -0.186 0.000 1.150 399 S HN 0.715 nan 8.310 nan 0.000 0.521 400 G N 0.032 108.569 108.800 -0.437 0.000 2.539 400 G HA2 0.530 4.490 3.960 0.001 0.000 0.258 400 G HA3 0.530 4.490 3.960 0.001 0.000 0.258 400 G C -0.778 173.715 174.900 -0.679 0.000 1.202 400 G CA -0.692 43.964 45.100 -0.741 0.000 0.851 400 G HN 0.786 nan 8.290 nan 0.000 0.556 401 M N 1.732 121.072 119.600 -0.434 0.000 2.433 401 M HA 0.521 5.001 4.480 0.001 0.000 0.290 401 M C -2.177 174.114 176.300 -0.016 0.000 1.173 401 M CA -0.933 54.206 55.300 -0.269 0.000 0.905 401 M CB 2.193 34.580 32.600 -0.354 0.000 1.692 401 M HN 0.414 nan 8.290 nan 0.000 0.462 402 L N 5.729 126.993 121.223 0.068 0.000 2.381 402 L HA 0.677 5.018 4.340 0.001 0.000 0.274 402 L C -2.115 174.784 176.870 0.049 0.000 0.988 402 L CA -0.547 54.364 54.840 0.119 0.000 0.824 402 L CB 1.881 44.093 42.059 0.255 0.000 1.263 402 L HN 0.847 nan 8.230 nan 0.000 0.410 403 L N 3.960 125.156 121.223 -0.044 0.000 2.401 403 L HA 0.884 5.225 4.340 0.001 0.000 0.266 403 L C 0.357 177.174 176.870 -0.089 0.000 0.991 403 L CA 0.643 55.473 54.840 -0.017 0.000 0.818 403 L CB 2.105 44.181 42.059 0.028 0.000 1.321 403 L HN 0.779 nan 8.230 nan 0.000 0.413 404 G N 1.660 110.441 108.800 -0.032 0.000 2.159 404 G HA2 -0.226 3.735 3.960 0.001 0.000 0.170 404 G HA3 -0.226 3.735 3.960 0.001 0.000 0.170 404 G C -0.347 174.552 174.900 -0.002 0.000 1.007 404 G CA -0.188 44.895 45.100 -0.028 0.000 0.672 404 G HN 0.513 nan 8.290 nan 0.000 0.507 405 Y N 2.004 122.343 120.300 0.064 0.000 2.610 405 Y HA 0.421 4.971 4.550 0.001 0.000 0.332 405 Y C 1.413 177.345 175.900 0.054 0.000 1.201 405 Y CA 1.285 59.426 58.100 0.068 0.000 1.465 405 Y CB 0.878 39.383 38.460 0.076 0.000 1.283 405 Y HN 0.414 nan 8.280 nan 0.000 0.563 406 T N -0.769 113.930 114.554 0.241 0.000 2.841 406 T HA 0.392 4.743 4.350 0.001 0.000 0.296 406 T C 0.446 175.228 174.700 0.137 0.000 1.166 406 T CA -1.009 61.178 62.100 0.146 0.000 1.007 406 T CB 0.754 69.679 68.868 0.096 0.000 1.253 406 T HN 0.537 nan 8.240 nan 0.000 0.511 407 L N 0.032 121.310 121.223 0.092 0.000 2.450 407 L HA -0.055 4.286 4.340 0.001 0.000 0.224 407 L C 2.156 179.074 176.870 0.080 0.000 1.149 407 L CA 1.074 55.959 54.840 0.076 0.000 0.816 407 L CB -0.459 41.631 42.059 0.052 0.000 0.932 407 L HN 0.641 nan 8.230 nan 0.000 0.449 408 Q N -1.104 118.747 119.800 0.085 0.000 2.319 408 Q HA 0.092 4.433 4.340 0.001 0.000 0.202 408 Q C 0.406 176.464 176.000 0.097 0.000 0.896 408 Q CA 0.097 55.947 55.803 0.078 0.000 0.942 408 Q CB 0.380 29.154 28.738 0.060 0.000 1.083 408 Q HN 0.204 nan 8.270 nan 0.000 0.510 409 T N 2.096 116.731 114.554 0.135 0.000 2.908 409 T HA 0.056 4.406 4.350 0.001 0.000 0.301 409 T C 0.068 174.864 174.700 0.160 0.000 1.019 409 T CA 0.384 62.578 62.100 0.157 0.000 1.152 409 T CB 0.368 69.386 68.868 0.251 0.000 0.966 409 T HN -0.051 nan 8.240 nan 0.000 0.540 410 K N 4.662 125.144 120.400 0.138 0.000 2.156 410 K HA 0.294 4.615 4.320 0.001 0.000 0.250 410 K C -1.685 175.028 176.600 0.188 0.000 0.955 410 K CA -2.479 53.892 56.287 0.140 0.000 0.855 410 K CB 1.375 33.936 32.500 0.101 0.000 1.101 410 K HN 0.201 nan 8.250 nan 0.000 0.434 411 P HA -0.225 nan 4.420 nan 0.000 0.216 411 P C 0.889 178.388 177.300 0.332 0.000 1.150 411 P CA 1.523 64.834 63.100 0.350 0.000 0.837 411 P CB 0.294 32.148 31.700 0.257 0.000 0.786 412 E N 1.007 121.326 120.200 0.199 0.000 2.204 412 E HA -0.181 4.169 4.350 0.001 0.000 0.194 412 E C 1.679 178.379 176.600 0.166 0.000 0.989 412 E CA 1.046 57.554 56.400 0.180 0.000 0.824 412 E CB -0.763 29.000 29.700 0.104 0.000 0.756 412 E HN 0.374 nan 8.360 nan 0.000 0.477 413 E N 1.041 121.313 120.200 0.122 0.000 2.046 413 E HA -0.071 4.280 4.350 0.001 0.000 0.190 413 E C 2.341 178.958 176.600 0.029 0.000 0.982 413 E CA 1.072 57.513 56.400 0.068 0.000 0.800 413 E CB -0.228 29.507 29.700 0.058 0.000 0.756 413 E HN 0.306 nan 8.360 nan 0.000 0.449 414 I N 0.407 121.002 120.570 0.042 0.000 2.493 414 I HA -0.262 3.909 4.170 0.001 0.000 0.254 414 I C 2.312 178.291 176.117 -0.230 0.000 1.160 414 I CA 0.961 62.224 61.300 -0.062 0.000 1.445 414 I CB -0.007 38.019 38.000 0.043 0.000 1.086 414 I HN 0.085 nan 8.210 nan 0.000 0.433 415 Y N 1.905 121.997 120.300 -0.347 0.000 2.145 415 Y HA -0.260 4.290 4.550 0.001 0.000 0.286 415 Y C 2.719 178.469 175.900 -0.250 0.000 1.145 415 Y CA 1.952 59.798 58.100 -0.423 0.000 1.148 415 Y CB -0.529 37.854 38.460 -0.129 0.000 0.981 415 Y HN 0.084 nan 8.280 nan 0.000 0.507 416 R N 0.208 120.588 120.500 -0.199 0.000 2.096 416 R HA -0.171 4.169 4.340 0.001 0.000 0.235 416 R C 2.297 178.466 176.300 -0.219 0.000 1.127 416 R CA 1.160 57.113 56.100 -0.245 0.000 0.968 416 R CB -0.527 29.734 30.300 -0.064 0.000 0.861 416 R HN 0.484 nan 8.270 nan 0.000 0.440 417 A N 0.978 123.709 122.820 -0.148 0.000 1.933 417 A HA -0.138 4.183 4.320 0.001 0.000 0.218 417 A C 2.169 179.692 177.584 -0.101 0.000 1.175 417 A CA 1.141 53.131 52.037 -0.077 0.000 0.628 417 A CB -0.418 18.552 19.000 -0.050 0.000 0.814 417 A HN 0.310 nan 8.150 nan 0.000 0.444 418 L N -1.360 119.747 121.223 -0.193 0.000 2.056 418 L HA -0.144 4.196 4.340 0.001 0.000 0.207 418 L C 2.473 179.318 176.870 -0.041 0.000 1.078 418 L CA 0.636 55.392 54.840 -0.139 0.000 0.749 418 L CB -0.583 41.371 42.059 -0.175 0.000 0.901 418 L HN 0.278 nan 8.230 nan 0.000 0.433 419 L N 0.035 121.094 121.223 -0.275 0.000 1.989 419 L HA -0.232 4.109 4.340 0.001 0.000 0.211 419 L C 2.553 179.302 176.870 -0.202 0.000 1.071 419 L CA 1.805 56.481 54.840 -0.273 0.000 0.749 419 L CB -0.603 41.151 42.059 -0.509 0.000 0.890 419 L HN 0.212 nan 8.230 nan 0.000 0.431 420 E N -1.018 119.005 120.200 -0.296 0.000 2.077 420 E HA -0.238 4.112 4.350 0.001 0.000 0.193 420 E C 2.238 178.373 176.600 -0.776 0.000 0.989 420 E CA 1.109 57.173 56.400 -0.561 0.000 0.800 420 E CB -0.283 29.236 29.700 -0.301 0.000 0.746 420 E HN 0.538 nan 8.360 nan 0.000 0.452 421 A N 1.149 123.820 122.820 -0.249 0.000 1.933 421 A HA -0.211 4.109 4.320 0.001 0.000 0.218 421 A C 2.457 179.999 177.584 -0.070 0.000 1.175 421 A CA 2.167 54.207 52.037 0.005 0.000 0.628 421 A CB -1.101 18.000 19.000 0.168 0.000 0.814 421 A HN 0.423 nan 8.150 nan 0.000 0.444 422 T N -2.424 112.103 114.554 -0.045 0.000 2.867 422 T HA 0.148 4.498 4.350 0.001 0.000 0.268 422 T C 1.872 176.487 174.700 -0.141 0.000 1.057 422 T CA 1.450 63.579 62.100 0.048 0.000 1.136 422 T CB -0.433 68.561 68.868 0.209 0.000 0.874 422 T HN 0.528 nan 8.240 nan 0.000 0.466 423 A N 0.833 123.375 122.820 -0.465 0.000 1.929 423 A HA 0.213 4.534 4.320 0.001 0.000 0.216 423 A C 1.909 179.038 177.584 -0.758 0.000 1.176 423 A CA 0.834 52.239 52.037 -1.052 0.000 0.628 423 A CB -0.927 17.422 19.000 -1.085 0.000 0.816 423 A HN 0.469 nan 8.150 nan 0.000 0.444 424 F N 0.471 120.110 119.950 -0.518 0.000 2.234 424 F HA 0.031 4.559 4.527 0.001 0.000 0.299 424 F C 2.566 178.084 175.800 -0.470 0.000 1.087 424 F CA 0.442 58.069 58.000 -0.621 0.000 1.340 424 F CB -1.204 37.079 39.000 -1.196 0.000 1.031 424 F HN 0.256 nan 8.300 nan 0.000 0.500 425 G N -1.008 107.729 108.800 -0.105 0.000 2.402 425 G HA2 -0.192 3.769 3.960 0.001 0.000 0.216 425 G HA3 -0.192 3.769 3.960 0.001 0.000 0.216 425 G C 1.788 176.734 174.900 0.076 0.000 1.162 425 G CA 1.373 46.582 45.100 0.181 0.000 0.777 425 G HN 0.293 nan 8.290 nan 0.000 0.539 426 T N 0.029 114.536 114.554 -0.079 0.000 2.746 426 T HA -0.077 4.274 4.350 0.001 0.000 0.267 426 T C 2.335 176.912 174.700 -0.206 0.000 1.039 426 T CA 1.255 63.278 62.100 -0.130 0.000 1.142 426 T CB -0.093 68.655 68.868 -0.200 0.000 0.866 426 T HN 0.312 nan 8.240 nan 0.000 0.444 427 R N 0.826 121.158 120.500 -0.281 0.000 2.096 427 R HA -0.030 4.310 4.340 0.001 0.000 0.235 427 R C 2.545 178.766 176.300 -0.133 0.000 1.127 427 R CA 1.324 57.240 56.100 -0.307 0.000 0.968 427 R CB -0.410 29.530 30.300 -0.601 0.000 0.861 427 R HN 0.357 nan 8.270 nan 0.000 0.440 428 A N 1.040 123.884 122.820 0.040 0.000 1.908 428 A HA -0.167 4.153 4.320 0.001 0.000 0.218 428 A C 2.113 179.722 177.584 0.042 0.000 1.181 428 A CA 1.527 53.651 52.037 0.145 0.000 0.627 428 A CB -0.466 18.668 19.000 0.223 0.000 0.818 428 A HN 0.379 nan 8.150 nan 0.000 0.445 429 I N 0.066 120.630 120.570 -0.010 0.000 2.233 429 I HA -0.196 3.975 4.170 0.001 0.000 0.243 429 I C 2.546 178.685 176.117 0.036 0.000 1.093 429 I CA 1.427 62.695 61.300 -0.053 0.000 1.380 429 I CB -0.303 37.589 38.000 -0.180 0.000 1.067 429 I HN 0.346 nan 8.210 nan 0.000 0.413 430 V N -1.458 118.465 119.914 0.015 0.000 2.407 430 V HA -0.221 3.900 4.120 0.001 0.000 0.248 430 V C 1.832 177.986 176.094 0.101 0.000 1.055 430 V CA 1.955 64.308 62.300 0.089 0.000 1.049 430 V CB -0.733 31.072 31.823 -0.031 0.000 0.662 430 V HN 0.294 nan 8.190 nan 0.000 0.455 431 D N 1.224 121.642 120.400 0.030 0.000 2.183 431 D HA 0.047 4.688 4.640 0.001 0.000 0.203 431 D C 2.311 178.647 176.300 0.060 0.000 0.969 431 D CA 1.688 55.722 54.000 0.057 0.000 0.842 431 D CB -0.227 40.601 40.800 0.047 0.000 0.957 431 D HN 0.596 nan 8.370 nan 0.000 0.484 432 A N 0.004 122.815 122.820 -0.015 0.000 1.972 432 A HA -0.146 4.175 4.320 0.001 0.000 0.219 432 A C 1.891 179.370 177.584 -0.174 0.000 1.169 432 A CA 0.981 52.943 52.037 -0.124 0.000 0.635 432 A CB -0.672 18.184 19.000 -0.239 0.000 0.810 432 A HN 0.113 nan 8.150 nan 0.000 0.446 433 F N -1.489 118.441 119.950 -0.035 0.000 2.147 433 F HA 0.041 4.569 4.527 0.001 0.000 0.291 433 F C 2.281 178.032 175.800 -0.082 0.000 1.093 433 F CA 1.489 59.427 58.000 -0.104 0.000 1.263 433 F CB -0.964 37.952 39.000 -0.141 0.000 1.036 433 F HN 0.380 nan 8.300 nan 0.000 0.481 434 H N -0.308 118.825 119.070 0.104 0.000 2.352 434 H HA -0.094 4.463 4.556 0.001 0.000 0.299 434 H C 2.304 177.641 175.328 0.015 0.000 1.097 434 H CA 1.700 57.761 56.048 0.022 0.000 1.311 434 H CB -0.649 29.116 29.762 0.006 0.000 1.377 434 H HN 0.220 nan 8.280 nan 0.000 0.504 435 G N -0.763 108.095 108.800 0.096 0.000 2.776 435 G HA2 -0.105 3.856 3.960 0.001 0.000 0.209 435 G HA3 -0.105 3.856 3.960 0.001 0.000 0.209 435 G C 1.240 176.134 174.900 -0.010 0.000 1.145 435 G CA -0.012 45.112 45.100 0.040 0.000 0.791 435 G HN 0.266 nan 8.290 nan 0.000 0.530 436 R N -0.810 119.672 120.500 -0.029 0.000 2.535 436 R HA 0.227 4.568 4.340 0.001 0.000 0.323 436 R C 1.501 177.777 176.300 -0.041 0.000 0.979 436 R CA 0.538 56.621 56.100 -0.028 0.000 1.120 436 R CB 0.850 31.136 30.300 -0.025 0.000 1.306 436 R HN 0.346 nan 8.270 nan 0.000 0.540 437 G N 0.561 109.305 108.800 -0.093 0.000 2.234 437 G HA2 -0.265 3.696 3.960 0.001 0.000 0.235 437 G HA3 -0.265 3.696 3.960 0.001 0.000 0.235 437 G C 0.271 175.101 174.900 -0.117 0.000 0.997 437 G CA 0.073 45.112 45.100 -0.102 0.000 0.623 437 G HN 0.108 nan 8.290 nan 0.000 0.514 438 V N 3.185 123.031 119.914 -0.113 0.000 2.071 438 V HA 0.271 4.392 4.120 0.001 0.000 0.254 438 V C 0.917 176.917 176.094 -0.156 0.000 1.456 438 V CA -0.391 61.814 62.300 -0.157 0.000 1.383 438 V CB -0.162 31.498 31.823 -0.271 0.000 1.433 438 V HN 0.461 nan 8.190 nan 0.000 0.499 439 E N 1.474 121.546 120.200 -0.212 0.000 2.508 439 E HA 0.134 4.485 4.350 0.001 0.000 0.266 439 E C -0.579 175.919 176.600 -0.170 0.000 1.010 439 E CA 0.147 56.408 56.400 -0.231 0.000 0.955 439 E CB 1.077 30.572 29.700 -0.343 0.000 0.946 439 E HN 0.357 nan 8.360 nan 0.000 0.454 440 V N 3.757 123.710 119.914 0.065 0.000 2.419 440 V HA 0.083 4.203 4.120 0.001 0.000 0.287 440 V C 0.065 176.072 176.094 -0.144 0.000 1.017 440 V CA -0.638 61.599 62.300 -0.105 0.000 0.844 440 V CB 1.018 32.827 31.823 -0.023 0.000 1.011 440 V HN 0.684 nan 8.190 nan 0.000 0.429 441 H N 1.810 120.912 119.070 0.054 0.000 2.506 441 H HA 0.386 4.943 4.556 0.001 0.000 0.289 441 H C 0.410 175.728 175.328 -0.016 0.000 1.009 441 H CA 0.331 56.390 56.048 0.018 0.000 1.303 441 H CB 1.053 30.838 29.762 0.039 0.000 1.453 441 H HN 0.569 nan 8.280 nan 0.000 0.526 442 E N 0.551 120.810 120.200 0.099 0.000 2.336 442 E HA 0.475 4.826 4.350 0.001 0.000 0.267 442 E C -1.169 175.413 176.600 -0.031 0.000 0.906 442 E CA -0.906 55.489 56.400 -0.007 0.000 0.781 442 E CB 2.787 32.467 29.700 -0.033 0.000 1.261 442 E HN -0.133 nan 8.360 nan 0.000 0.436 443 L N 1.609 122.746 121.223 -0.142 0.000 2.346 443 L HA 0.451 4.792 4.340 0.001 0.000 0.274 443 L C -1.487 175.232 176.870 -0.252 0.000 1.007 443 L CA -0.496 54.303 54.840 -0.069 0.000 0.818 443 L CB 1.020 43.077 42.059 -0.003 0.000 1.284 443 L HN 0.475 nan 8.230 nan 0.000 0.424 444 Y N 1.583 121.897 120.300 0.022 0.000 2.361 444 Y HA 0.748 5.299 4.550 0.001 0.000 0.337 444 Y C 0.023 175.919 175.900 -0.007 0.000 0.965 444 Y CA -0.773 57.330 58.100 0.005 0.000 1.091 444 Y CB 2.131 40.586 38.460 -0.008 0.000 1.182 444 Y HN 0.618 nan 8.280 nan 0.000 0.450 445 A N 2.669 125.551 122.820 0.103 0.000 2.342 445 A HA 0.867 5.188 4.320 0.001 0.000 0.323 445 A C -0.676 176.921 177.584 0.023 0.000 1.125 445 A CA -0.547 51.501 52.037 0.018 0.000 0.785 445 A CB 0.358 19.316 19.000 -0.071 0.000 1.221 445 A HN 0.977 nan 8.150 nan 0.000 0.463 446 C N -0.040 119.252 119.300 -0.012 0.000 3.090 446 C HA 1.062 5.523 4.460 0.001 0.000 0.305 446 C C 0.413 175.379 174.990 -0.040 0.000 1.292 446 C CA 0.040 59.050 59.018 -0.014 0.000 1.482 446 C CB 0.956 28.690 27.740 -0.010 0.000 1.897 446 C HN 2.810 nan 8.230 nan 0.000 0.469 447 G N 0.414 109.195 108.800 -0.031 0.000 2.343 447 G HA2 0.447 4.408 3.960 0.001 0.000 0.562 447 G HA3 0.447 4.408 3.960 0.001 0.000 0.562 447 G C 0.314 175.198 174.900 -0.026 0.000 1.269 447 G CA -0.102 44.977 45.100 -0.036 0.000 1.011 447 G HN 2.002 nan 8.290 nan 0.000 0.498 448 G N -1.015 107.771 108.800 -0.023 0.000 2.662 448 G HA2 0.371 4.332 3.960 0.001 0.000 0.212 448 G HA3 0.371 4.332 3.960 0.001 0.000 0.212 448 G C 1.777 176.668 174.900 -0.015 0.000 1.141 448 G CA 1.513 46.605 45.100 -0.014 0.000 0.797 448 G HN 0.949 nan 8.290 nan 0.000 0.531 449 L N 1.642 122.848 121.223 -0.028 0.000 2.012 449 L HA 0.076 4.417 4.340 0.001 0.000 0.210 449 L C -0.416 176.419 176.870 -0.059 0.000 1.073 449 L CA 1.758 56.578 54.840 -0.033 0.000 0.748 449 L CB -0.842 41.193 42.059 -0.041 0.000 0.891 449 L HN 0.055 nan 8.230 nan 0.000 0.431 450 P HA -0.079 nan 4.420 nan 0.000 0.237 450 P C 1.123 178.441 177.300 0.031 0.000 1.178 450 P CA 0.714 63.755 63.100 -0.098 0.000 0.766 450 P CB 0.116 31.750 31.700 -0.109 0.000 0.876 451 Q N -0.340 119.490 119.800 0.049 0.000 2.084 451 Q HA -0.013 4.328 4.340 0.001 0.000 0.194 451 Q C 1.976 178.047 176.000 0.118 0.000 0.969 451 Q CA 1.140 57.006 55.803 0.104 0.000 0.829 451 Q CB -0.826 27.940 28.738 0.048 0.000 0.904 451 Q HN 0.234 nan 8.270 nan 0.000 0.464 452 K N 0.794 121.221 120.400 0.044 0.000 2.366 452 K HA -0.035 4.286 4.320 0.001 0.000 0.198 452 K C 0.103 176.710 176.600 0.012 0.000 1.044 452 K CA 0.354 56.643 56.287 0.004 0.000 0.973 452 K CB 0.300 32.785 32.500 -0.026 0.000 0.767 452 K HN -0.016 nan 8.250 nan 0.000 0.475 453 N N 0.894 119.620 118.700 0.043 0.000 2.804 453 N HA 0.064 4.804 4.740 0.001 0.000 0.251 453 N C 0.069 175.599 175.510 0.033 0.000 1.250 453 N CA -0.188 52.872 53.050 0.018 0.000 0.820 453 N CB 0.256 38.716 38.487 -0.045 0.000 1.156 453 N HN 0.188 nan 8.380 nan 0.000 0.512 454 H N 0.460 119.491 119.070 -0.064 0.000 2.387 454 H HA -0.127 4.429 4.556 0.001 0.000 0.299 454 H C 1.654 176.872 175.328 -0.183 0.000 1.090 454 H CA 0.844 56.853 56.048 -0.066 0.000 1.332 454 H CB 0.726 30.599 29.762 0.186 0.000 1.386 454 H HN 0.303 nan 8.280 nan 0.000 0.516 455 L N 1.148 122.392 121.223 0.035 0.000 2.042 455 L HA -0.165 4.176 4.340 0.001 0.000 0.210 455 L C 2.239 179.025 176.870 -0.140 0.000 1.076 455 L CA 1.226 56.053 54.840 -0.022 0.000 0.749 455 L CB -0.740 41.324 42.059 0.008 0.000 0.893 455 L HN 0.264 nan 8.230 nan 0.000 0.432 456 L N -1.326 119.774 121.223 -0.204 0.000 2.042 456 L HA -0.249 4.092 4.340 0.001 0.000 0.210 456 L C 2.401 179.077 176.870 -0.324 0.000 1.076 456 L CA 1.486 56.176 54.840 -0.250 0.000 0.749 456 L CB -0.209 41.675 42.059 -0.292 0.000 0.893 456 L HN 0.367 nan 8.230 nan 0.000 0.432 457 M N -1.147 118.117 119.600 -0.560 0.000 2.229 457 M HA -0.211 4.269 4.480 0.001 0.000 0.264 457 M C 2.079 178.026 176.300 -0.588 0.000 1.063 457 M CA 1.438 56.256 55.300 -0.803 0.000 1.114 457 M CB -1.147 30.502 32.600 -1.586 0.000 1.387 457 M HN 0.267 nan 8.290 nan 0.000 0.420 458 Q N 0.709 120.248 119.800 -0.434 0.000 2.137 458 Q HA -0.008 4.333 4.340 0.001 0.000 0.198 458 Q C 1.818 177.792 176.000 -0.043 0.000 0.960 458 Q CA 1.330 57.074 55.803 -0.099 0.000 0.847 458 Q CB -0.206 28.567 28.738 0.058 0.000 0.915 458 Q HN 0.380 nan 8.270 nan 0.000 0.448 459 I N -0.280 120.241 120.570 -0.082 0.000 2.226 459 I HA -0.187 3.983 4.170 0.001 0.000 0.245 459 I C 1.763 177.714 176.117 -0.278 0.000 1.100 459 I CA 1.126 62.294 61.300 -0.219 0.000 1.374 459 I CB -0.433 37.405 38.000 -0.269 0.000 1.057 459 I HN 0.197 nan 8.210 nan 0.000 0.413 460 F N 0.355 120.097 119.950 -0.346 0.000 2.095 460 F HA -0.325 4.202 4.527 0.001 0.000 0.298 460 F C 2.525 178.182 175.800 -0.238 0.000 1.104 460 F CA 1.501 59.323 58.000 -0.297 0.000 1.232 460 F CB -0.422 38.432 39.000 -0.244 0.000 0.987 460 F HN 0.052 nan 8.300 nan 0.000 0.475 461 A N -0.316 122.505 122.820 0.001 0.000 1.902 461 A HA -0.197 4.124 4.320 0.001 0.000 0.217 461 A C 1.897 179.453 177.584 -0.046 0.000 1.181 461 A CA 2.003 54.033 52.037 -0.012 0.000 0.623 461 A CB -0.757 18.269 19.000 0.043 0.000 0.818 461 A HN 0.313 nan 8.150 nan 0.000 0.443 462 D N -0.278 120.090 120.400 -0.053 0.000 2.117 462 D HA -0.092 4.549 4.640 0.001 0.000 0.198 462 D C 2.078 178.339 176.300 -0.065 0.000 0.982 462 D CA 1.457 55.468 54.000 0.018 0.000 0.828 462 D CB -0.342 40.575 40.800 0.195 0.000 0.967 462 D HN 0.235 nan 8.370 nan 0.000 0.464 463 V N 1.249 120.977 119.914 -0.310 0.000 2.379 463 V HA -0.169 3.951 4.120 0.001 0.000 0.245 463 V C 2.565 178.502 176.094 -0.263 0.000 1.044 463 V CA 2.128 64.235 62.300 -0.321 0.000 1.036 463 V CB -0.653 30.821 31.823 -0.583 0.000 0.664 463 V HN 0.353 nan 8.190 nan 0.000 0.453 464 T N -2.995 111.400 114.554 -0.264 0.000 3.081 464 T HA 0.037 4.387 4.350 0.001 0.000 0.255 464 T C 1.067 175.678 174.700 -0.149 0.000 1.113 464 T CA 0.593 62.554 62.100 -0.232 0.000 1.082 464 T CB -0.447 68.296 68.868 -0.209 0.000 0.939 464 T HN 0.423 nan 8.240 nan 0.000 0.506 465 N N 1.254 119.894 118.700 -0.100 0.000 2.738 465 N HA -0.182 4.559 4.740 0.001 0.000 0.249 465 N C -0.784 174.692 175.510 -0.055 0.000 1.047 465 N CA 0.481 53.498 53.050 -0.054 0.000 0.707 465 N CB -1.270 37.191 38.487 -0.043 0.000 0.937 465 N HN 0.695 nan 8.380 nan 0.000 0.545 466 R N -0.102 120.366 120.500 -0.055 0.000 2.771 466 R HA 0.333 4.673 4.340 0.001 0.000 0.274 466 R C -0.641 175.637 176.300 -0.036 0.000 0.987 466 R CA -0.910 55.162 56.100 -0.045 0.000 0.908 466 R CB 1.371 31.638 30.300 -0.055 0.000 1.213 466 R HN 0.354 nan 8.270 nan 0.000 0.468 467 E N 2.643 122.817 120.200 -0.044 0.000 2.373 467 E HA 0.188 4.539 4.350 0.001 0.000 0.267 467 E C -0.824 175.724 176.600 -0.086 0.000 1.032 467 E CA -0.162 56.207 56.400 -0.052 0.000 0.889 467 E CB 0.703 30.361 29.700 -0.070 0.000 0.984 467 E HN 0.362 nan 8.360 nan 0.000 0.425 468 I N 4.074 124.620 120.570 -0.040 0.000 2.418 468 I HA 0.286 4.457 4.170 0.001 0.000 0.287 468 I C -0.451 175.633 176.117 -0.054 0.000 1.008 468 I CA -0.996 60.268 61.300 -0.060 0.000 1.104 468 I CB 1.668 39.682 38.000 0.023 0.000 1.264 468 I HN 0.352 nan 8.210 nan 0.000 0.438 469 K N 4.313 124.584 120.400 -0.215 0.000 2.098 469 K HA 0.695 5.015 4.320 0.001 0.000 0.258 469 K C -0.901 175.703 176.600 0.007 0.000 0.973 469 K CA -0.498 55.708 56.287 -0.136 0.000 0.898 469 K CB 1.923 34.267 32.500 -0.260 0.000 1.057 469 K HN 0.267 nan 8.250 nan 0.000 0.447 470 V N 1.552 121.500 119.914 0.056 0.000 2.680 470 V HA 0.579 4.700 4.120 0.001 0.000 0.309 470 V C -0.346 175.791 176.094 0.072 0.000 1.052 470 V CA -1.489 60.855 62.300 0.073 0.000 0.908 470 V CB 1.768 33.643 31.823 0.086 0.000 1.001 470 V HN 0.905 nan 8.190 nan 0.000 0.431 471 A N 2.878 125.737 122.820 0.065 0.000 2.498 471 A HA 0.555 4.876 4.320 0.001 0.000 0.239 471 A C 1.165 178.767 177.584 0.030 0.000 1.068 471 A CA 0.612 52.676 52.037 0.046 0.000 0.766 471 A CB 0.426 19.441 19.000 0.025 0.000 1.003 471 A HN 1.446 nan 8.150 nan 0.000 0.497 472 A N 1.967 124.801 122.820 0.022 0.000 2.197 472 A HA 0.360 4.681 4.320 0.001 0.000 0.210 472 A C 1.343 178.932 177.584 0.007 0.000 1.180 472 A CA 0.770 52.816 52.037 0.014 0.000 0.846 472 A CB -0.600 18.407 19.000 0.011 0.000 0.884 472 A HN 1.422 nan 8.150 nan 0.000 0.487 473 S N 0.551 116.252 115.700 0.002 0.000 2.576 473 S HA 0.229 4.699 4.470 0.001 0.000 0.276 473 S C 0.796 175.393 174.600 -0.005 0.000 1.339 473 S CA 0.096 58.294 58.200 -0.004 0.000 1.039 473 S CB 1.061 64.255 63.200 -0.010 0.000 0.902 473 S HN 0.529 nan 8.310 nan 0.000 0.516 474 K N 1.084 121.479 120.400 -0.009 0.000 2.076 474 K HA 0.054 4.375 4.320 0.001 0.000 0.204 474 K C 0.389 176.979 176.600 -0.016 0.000 1.051 474 K CA 0.598 56.878 56.287 -0.012 0.000 0.949 474 K CB -0.177 32.314 32.500 -0.015 0.000 0.726 474 K HN 0.484 nan 8.250 nan 0.000 0.443 475 Q N 1.309 121.098 119.800 -0.018 0.000 2.788 475 Q HA 0.227 4.567 4.340 0.001 0.000 0.285 475 Q C -0.216 175.773 176.000 -0.017 0.000 1.063 475 Q CA -0.104 55.686 55.803 -0.021 0.000 0.958 475 Q CB 1.278 30.000 28.738 -0.027 0.000 1.211 475 Q HN 0.175 nan 8.270 nan 0.000 0.478 476 T N 1.132 115.676 114.554 -0.017 0.000 2.597 476 T HA -0.162 4.189 4.350 0.001 0.000 0.267 476 T C -0.973 173.722 174.700 -0.009 0.000 1.053 476 T CA 1.757 63.847 62.100 -0.016 0.000 1.165 476 T CB -0.686 68.171 68.868 -0.018 0.000 0.863 476 T HN 0.410 nan 8.240 nan 0.000 0.427 477 P HA -0.079 nan 4.420 nan 0.000 0.216 477 P C 1.526 178.842 177.300 0.027 0.000 1.153 477 P CA 1.502 64.611 63.100 0.015 0.000 0.858 477 P CB -0.241 31.461 31.700 0.004 0.000 0.789 478 A N -0.568 122.255 122.820 0.005 0.000 1.883 478 A HA -0.200 4.121 4.320 0.001 0.000 0.217 478 A C 2.268 179.862 177.584 0.016 0.000 1.186 478 A CA 1.449 53.489 52.037 0.006 0.000 0.624 478 A CB -1.712 17.277 19.000 -0.018 0.000 0.822 478 A HN 0.143 nan 8.150 nan 0.000 0.444 479 L N -0.681 120.544 121.223 0.002 0.000 2.042 479 L HA -0.168 4.173 4.340 0.001 0.000 0.210 479 L C 2.627 179.488 176.870 -0.014 0.000 1.076 479 L CA 1.546 56.382 54.840 -0.007 0.000 0.749 479 L CB -0.780 41.266 42.059 -0.022 0.000 0.893 479 L HN 0.495 nan 8.230 nan 0.000 0.432 480 G N -0.860 107.940 108.800 -0.001 0.000 2.459 480 G HA2 -0.336 3.625 3.960 0.001 0.000 0.217 480 G HA3 -0.336 3.625 3.960 0.001 0.000 0.217 480 G C 1.664 176.620 174.900 0.093 0.000 1.183 480 G CA 0.883 45.987 45.100 0.006 0.000 0.776 480 G HN 0.560 nan 8.290 nan 0.000 0.552 481 A N 1.242 124.152 122.820 0.150 0.000 1.883 481 A HA 0.177 4.498 4.320 0.001 0.000 0.217 481 A C 2.857 180.534 177.584 0.155 0.000 1.186 481 A CA 2.570 54.729 52.037 0.203 0.000 0.624 481 A CB -0.950 18.133 19.000 0.138 0.000 0.822 481 A HN 0.943 nan 8.150 nan 0.000 0.444 482 A N -0.657 122.213 122.820 0.083 0.000 1.940 482 A HA -0.170 4.151 4.320 0.001 0.000 0.219 482 A C 2.270 179.885 177.584 0.052 0.000 1.176 482 A CA 1.933 54.011 52.037 0.069 0.000 0.631 482 A CB -0.566 18.463 19.000 0.049 0.000 0.814 482 A HN 0.567 nan 8.150 nan 0.000 0.446 483 M N -2.015 117.569 119.600 -0.027 0.000 2.086 483 M HA -0.092 4.388 4.480 0.001 0.000 0.261 483 M C 1.823 178.042 176.300 -0.135 0.000 1.067 483 M CA 1.543 56.754 55.300 -0.147 0.000 1.116 483 M CB -0.442 31.962 32.600 -0.327 0.000 1.348 483 M HN 0.428 nan 8.290 nan 0.000 0.407 484 F N 0.258 120.231 119.950 0.038 0.000 2.502 484 F HA 0.001 4.529 4.527 0.001 0.000 0.298 484 F C 2.504 178.335 175.800 0.052 0.000 1.111 484 F CA 0.917 58.942 58.000 0.042 0.000 1.445 484 F CB -0.903 38.120 39.000 0.038 0.000 1.081 484 F HN 0.097 nan 8.300 nan 0.000 0.558 485 A N -0.179 122.767 122.820 0.210 0.000 1.897 485 A HA -0.159 4.162 4.320 0.001 0.000 0.215 485 A C 2.403 180.065 177.584 0.130 0.000 1.181 485 A CA 1.797 53.924 52.037 0.150 0.000 0.620 485 A CB -1.086 17.985 19.000 0.120 0.000 0.821 485 A HN 0.368 nan 8.150 nan 0.000 0.443 486 S N -0.238 115.545 115.700 0.138 0.000 2.383 486 S HA -0.107 4.363 4.470 0.001 0.000 0.227 486 S C 1.734 176.438 174.600 0.174 0.000 1.026 486 S CA 1.415 59.714 58.200 0.164 0.000 0.981 486 S CB -0.881 62.489 63.200 0.283 0.000 0.818 486 S HN 0.256 nan 8.310 nan 0.000 0.472 487 V N 2.501 122.519 119.914 0.174 0.000 2.427 487 V HA -0.035 4.086 4.120 0.001 0.000 0.248 487 V C 3.121 179.296 176.094 0.134 0.000 1.051 487 V CA 1.554 63.954 62.300 0.167 0.000 1.048 487 V CB -1.501 30.428 31.823 0.177 0.000 0.666 487 V HN 0.672 nan 8.190 nan 0.000 0.456 488 A N -0.161 122.739 122.820 0.133 0.000 2.014 488 A HA 0.075 4.396 4.320 0.001 0.000 0.218 488 A C 2.360 179.981 177.584 0.063 0.000 1.163 488 A CA 1.627 53.718 52.037 0.091 0.000 0.652 488 A CB -0.495 18.557 19.000 0.087 0.000 0.808 488 A HN 0.529 nan 8.150 nan 0.000 0.449 489 A N -0.783 122.076 122.820 0.064 0.000 1.832 489 A HA 0.425 4.746 4.320 0.001 0.000 0.214 489 A C 1.555 179.151 177.584 0.019 0.000 1.200 489 A CA 1.754 53.812 52.037 0.034 0.000 0.610 489 A CB -1.006 18.010 19.000 0.026 0.000 0.842 489 A HN 2.121 nan 8.150 nan 0.000 0.444 490 G N -2.825 105.987 108.800 0.021 0.000 2.406 490 G HA2 0.174 4.135 3.960 0.001 0.000 0.680 490 G HA3 0.174 4.135 3.960 0.001 0.000 0.680 490 G C 0.449 175.327 174.900 -0.036 0.000 1.338 490 G CA 0.442 45.547 45.100 0.007 0.000 0.941 490 G HN 0.855 nan 8.290 nan 0.000 0.633 491 S N -0.643 115.037 115.700 -0.033 0.000 2.368 491 S HA -0.115 4.356 4.470 0.001 0.000 0.224 491 S C 2.095 176.649 174.600 -0.076 0.000 1.029 491 S CA 2.251 60.407 58.200 -0.074 0.000 0.988 491 S CB -0.258 62.920 63.200 -0.036 0.000 0.838 491 S HN 0.954 nan 8.310 nan 0.000 0.462 492 E N 0.622 120.795 120.200 -0.046 0.000 2.147 492 E HA -0.145 4.206 4.350 0.001 0.000 0.199 492 E C 1.403 177.972 176.600 -0.052 0.000 1.005 492 E CA 1.844 58.219 56.400 -0.042 0.000 0.810 492 E CB -0.162 29.522 29.700 -0.026 0.000 0.736 492 E HN 0.530 nan 8.360 nan 0.000 0.460 493 V N -3.620 116.260 119.914 -0.057 0.000 3.444 493 V HA 0.568 4.689 4.120 0.001 0.000 0.308 493 V C 1.238 177.278 176.094 -0.090 0.000 1.371 493 V CA 0.337 62.601 62.300 -0.060 0.000 1.141 493 V CB -0.053 31.746 31.823 -0.041 0.000 1.037 493 V HN 0.358 nan 8.190 nan 0.000 0.433 494 G N -0.472 108.250 108.800 -0.129 0.000 2.259 494 G HA2 -0.166 3.795 3.960 0.001 0.000 0.217 494 G HA3 -0.166 3.795 3.960 0.001 0.000 0.217 494 G C 0.767 175.486 174.900 -0.302 0.000 1.001 494 G CA 0.093 45.080 45.100 -0.189 0.000 0.627 494 G HN 1.124 nan 8.290 nan 0.000 0.501 495 G N -0.493 108.163 108.800 -0.240 0.000 2.820 495 G HA2 0.507 4.467 3.960 0.001 0.000 0.158 495 G HA3 0.507 4.467 3.960 0.001 0.000 0.158 495 G C -0.014 174.546 174.900 -0.567 0.000 1.715 495 G CA 0.386 45.321 45.100 -0.274 0.000 1.057 495 G HN 0.601 nan 8.290 nan 0.000 0.525 496 Y N -2.263 118.035 120.300 -0.003 0.000 2.615 496 Y HA 0.359 4.910 4.550 0.001 0.000 0.341 496 Y C 0.251 176.155 175.900 0.006 0.000 1.089 496 Y CA -0.866 57.232 58.100 -0.003 0.000 1.049 496 Y CB 2.171 40.624 38.460 -0.011 0.000 1.296 496 Y HN 0.302 nan 8.280 nan 0.000 0.470 497 D N 0.141 120.652 120.400 0.184 0.000 2.360 497 D HA 0.088 4.728 4.640 0.001 0.000 0.210 497 D C -0.172 176.188 176.300 0.100 0.000 1.047 497 D CA 0.608 54.672 54.000 0.107 0.000 0.854 497 D CB 0.611 41.453 40.800 0.070 0.000 0.936 497 D HN 0.359 nan 8.370 nan 0.000 0.514 498 S N -0.656 115.111 115.700 0.112 0.000 2.547 498 S HA 0.242 4.712 4.470 0.001 0.000 0.270 498 S C 0.348 174.955 174.600 0.012 0.000 1.150 498 S CA -0.767 57.474 58.200 0.068 0.000 0.850 498 S CB 1.350 64.580 63.200 0.049 0.000 1.118 498 S HN -0.154 nan 8.310 nan 0.000 0.461 499 I N 2.002 122.572 120.570 0.001 0.000 2.493 499 I HA -0.036 4.135 4.170 0.001 0.000 0.254 499 I C 2.252 178.285 176.117 -0.140 0.000 1.160 499 I CA 1.582 62.813 61.300 -0.116 0.000 1.445 499 I CB -0.540 37.399 38.000 -0.103 0.000 1.086 499 I HN 0.803 nan 8.210 nan 0.000 0.433 500 E N 0.490 120.656 120.200 -0.057 0.000 2.017 500 E HA -0.234 4.117 4.350 0.001 0.000 0.193 500 E C 1.862 178.392 176.600 -0.117 0.000 0.997 500 E CA 1.329 57.695 56.400 -0.057 0.000 0.804 500 E CB -0.912 28.794 29.700 0.010 0.000 0.757 500 E HN 0.530 nan 8.360 nan 0.000 0.448 501 E N 1.302 121.440 120.200 -0.102 0.000 2.097 501 E HA -0.151 4.200 4.350 0.001 0.000 0.196 501 E C 2.103 178.448 176.600 -0.426 0.000 1.000 501 E CA 1.343 57.661 56.400 -0.137 0.000 0.804 501 E CB -0.383 29.321 29.700 0.006 0.000 0.740 501 E HN 0.350 nan 8.360 nan 0.000 0.454 502 A N 1.352 123.816 122.820 -0.594 0.000 1.972 502 A HA -0.042 4.279 4.320 0.001 0.000 0.219 502 A C 2.398 179.653 177.584 -0.549 0.000 1.169 502 A CA 1.858 53.310 52.037 -0.974 0.000 0.635 502 A CB -0.420 18.212 19.000 -0.613 0.000 0.810 502 A HN 0.268 nan 8.150 nan 0.000 0.446 503 A N -0.116 122.496 122.820 -0.347 0.000 1.929 503 A HA -0.091 4.230 4.320 0.001 0.000 0.216 503 A C 2.049 179.522 177.584 -0.185 0.000 1.176 503 A CA 1.594 53.486 52.037 -0.242 0.000 0.628 503 A CB -0.359 18.524 19.000 -0.194 0.000 0.816 503 A HN 0.532 nan 8.150 nan 0.000 0.444 504 K N -0.144 120.155 120.400 -0.169 0.000 2.152 504 K HA -0.138 4.183 4.320 0.001 0.000 0.206 504 K C 1.638 178.184 176.600 -0.089 0.000 1.048 504 K CA 1.724 57.949 56.287 -0.104 0.000 0.933 504 K CB -0.103 32.353 32.500 -0.074 0.000 0.721 504 K HN 0.462 nan 8.250 nan 0.000 0.447 505 K N -0.739 119.584 120.400 -0.128 0.000 2.354 505 K HA 0.190 4.510 4.320 0.001 0.000 0.194 505 K C 1.715 178.277 176.600 -0.062 0.000 1.045 505 K CA 0.332 56.580 56.287 -0.064 0.000 1.026 505 K CB 0.458 32.956 32.500 -0.003 0.000 0.866 505 K HN 0.051 nan 8.250 nan 0.000 0.530 506 M N 0.494 120.020 119.600 -0.123 0.000 2.571 506 M HA 0.129 4.609 4.480 0.001 0.000 0.259 506 M C 1.082 177.332 176.300 -0.082 0.000 1.205 506 M CA -0.042 55.205 55.300 -0.088 0.000 1.138 506 M CB 0.443 32.972 32.600 -0.118 0.000 1.329 506 M HN 0.054 nan 8.290 nan 0.000 0.503 507 G N 2.220 110.956 108.800 -0.106 0.000 2.391 507 G HA2 0.165 4.125 3.960 0.001 0.000 0.234 507 G HA3 0.165 4.125 3.960 0.001 0.000 0.234 507 G C -0.330 174.539 174.900 -0.052 0.000 1.284 507 G CA -0.131 44.914 45.100 -0.093 0.000 0.873 507 G HN 0.363 nan 8.290 nan 0.000 0.549 508 R N 1.096 121.574 120.500 -0.037 0.000 2.502 508 R HA 0.441 4.781 4.340 0.001 0.000 0.298 508 R C -1.383 174.925 176.300 0.013 0.000 1.018 508 R CA -0.610 55.483 56.100 -0.010 0.000 0.899 508 R CB 2.435 32.729 30.300 -0.010 0.000 1.181 508 R HN 0.353 nan 8.270 nan 0.000 0.444 509 V N 2.771 122.704 119.914 0.031 0.000 2.823 509 V HA 0.349 4.469 4.120 0.001 0.000 0.312 509 V C -0.098 176.012 176.094 0.026 0.000 1.072 509 V CA -1.164 61.170 62.300 0.057 0.000 0.937 509 V CB 2.599 34.490 31.823 0.114 0.000 1.013 509 V HN 0.589 nan 8.190 nan 0.000 0.430 510 K N 2.149 122.559 120.400 0.016 0.000 2.401 510 K HA 0.135 4.456 4.320 0.001 0.000 0.278 510 K C 0.546 177.127 176.600 -0.032 0.000 1.018 510 K CA -0.319 55.962 56.287 -0.010 0.000 0.981 510 K CB 0.584 33.074 32.500 -0.016 0.000 0.933 510 K HN 0.613 nan 8.250 nan 0.000 0.477 511 D N 1.814 122.193 120.400 -0.036 0.000 2.158 511 D HA -0.152 4.489 4.640 0.001 0.000 0.197 511 D C 0.056 176.305 176.300 -0.085 0.000 0.995 511 D CA 1.489 55.461 54.000 -0.048 0.000 0.846 511 D CB 0.316 41.091 40.800 -0.041 0.000 0.941 511 D HN 0.454 nan 8.370 nan 0.000 0.456 512 E N 1.035 121.163 120.200 -0.120 0.000 2.259 512 E HA 0.158 4.508 4.350 0.001 0.000 0.281 512 E C 0.357 176.785 176.600 -0.286 0.000 1.037 512 E CA 0.005 56.283 56.400 -0.204 0.000 0.854 512 E CB 1.384 30.942 29.700 -0.236 0.000 1.051 512 E HN 0.187 nan 8.360 nan 0.000 0.409 513 T N -0.456 113.919 114.554 -0.298 0.000 2.942 513 T HA 0.622 4.973 4.350 0.001 0.000 0.289 513 T C -0.177 174.275 174.700 -0.415 0.000 1.044 513 T CA -0.748 61.184 62.100 -0.279 0.000 1.023 513 T CB 0.611 69.391 68.868 -0.146 0.000 1.123 513 T HN 0.145 nan 8.240 nan 0.000 0.512 514 F N 1.047 120.922 119.950 -0.125 0.000 2.410 514 F HA 0.542 5.070 4.527 0.001 0.000 0.349 514 F C 0.838 176.583 175.800 -0.092 0.000 1.117 514 F CA -0.706 57.227 58.000 -0.111 0.000 1.104 514 F CB 1.520 40.449 39.000 -0.118 0.000 1.122 514 F HN 0.388 nan 8.300 nan 0.000 0.483 515 K N 4.907 125.341 120.400 0.056 0.000 2.270 515 K HA 0.408 4.729 4.320 0.001 0.000 0.255 515 K C -2.653 173.955 176.600 0.015 0.000 0.936 515 K CA -2.058 54.236 56.287 0.011 0.000 0.809 515 K CB 1.662 34.143 32.500 -0.031 0.000 1.131 515 K HN 0.251 nan 8.250 nan 0.000 0.427 516 P HA 0.036 nan 4.420 nan 0.000 0.268 516 P C -0.508 176.783 177.300 -0.015 0.000 1.204 516 P CA -0.068 63.036 63.100 0.006 0.000 0.768 516 P CB 0.540 32.243 31.700 0.005 0.000 0.842 517 I N 6.857 127.404 120.570 -0.039 0.000 2.287 517 I HA 0.105 4.276 4.170 0.001 0.000 0.290 517 I C -0.906 175.215 176.117 0.007 0.000 1.069 517 I CA -2.709 58.537 61.300 -0.091 0.000 1.237 517 I CB 0.732 38.525 38.000 -0.345 0.000 1.418 517 I HN 0.239 nan 8.210 nan 0.000 0.481 518 P HA -0.250 nan 4.420 nan 0.000 0.219 518 P C 1.009 178.358 177.300 0.082 0.000 1.153 518 P CA 1.691 64.819 63.100 0.047 0.000 0.865 518 P CB 0.268 31.983 31.700 0.024 0.000 0.788 519 E N -0.643 119.614 120.200 0.095 0.000 2.077 519 E HA -0.212 4.139 4.350 0.001 0.000 0.193 519 E C 2.073 178.795 176.600 0.202 0.000 0.989 519 E CA 1.378 57.857 56.400 0.133 0.000 0.800 519 E CB -1.245 28.549 29.700 0.156 0.000 0.746 519 E HN 0.454 nan 8.360 nan 0.000 0.452 520 H N 1.033 120.131 119.070 0.046 0.000 2.299 520 H HA -0.063 4.493 4.556 0.001 0.000 0.302 520 H C 2.456 177.882 175.328 0.162 0.000 1.078 520 H CA 1.630 57.729 56.048 0.085 0.000 1.323 520 H CB -0.852 29.022 29.762 0.187 0.000 1.381 520 H HN 0.158 nan 8.280 nan 0.000 0.498 521 V N -0.739 119.348 119.914 0.288 0.000 2.453 521 V HA -0.245 3.876 4.120 0.001 0.000 0.252 521 V C 2.328 178.518 176.094 0.161 0.000 1.068 521 V CA 1.996 64.422 62.300 0.211 0.000 1.070 521 V CB -1.333 30.556 31.823 0.109 0.000 0.664 521 V HN 0.434 nan 8.190 nan 0.000 0.461 522 A N 0.727 123.614 122.820 0.112 0.000 1.898 522 A HA 0.006 4.326 4.320 0.001 0.000 0.216 522 A C 2.215 179.821 177.584 0.037 0.000 1.181 522 A CA 1.951 54.027 52.037 0.065 0.000 0.620 522 A CB -0.521 18.504 19.000 0.043 0.000 0.819 522 A HN 0.519 nan 8.150 nan 0.000 0.442 523 I N -1.508 119.049 120.570 -0.022 0.000 2.202 523 I HA -0.191 3.980 4.170 0.001 0.000 0.242 523 I C 2.337 178.411 176.117 -0.072 0.000 1.091 523 I CA 1.342 62.569 61.300 -0.122 0.000 1.368 523 I CB -1.751 36.059 38.000 -0.318 0.000 1.058 523 I HN 0.351 nan 8.210 nan 0.000 0.410 524 Y N 1.498 121.846 120.300 0.080 0.000 2.333 524 Y HA -0.233 4.318 4.550 0.001 0.000 0.290 524 Y C 2.631 178.626 175.900 0.158 0.000 1.144 524 Y CA 1.514 59.711 58.100 0.162 0.000 1.228 524 Y CB -0.623 37.927 38.460 0.151 0.000 0.985 524 Y HN 0.244 nan 8.280 nan 0.000 0.542 525 E N 0.791 121.131 120.200 0.234 0.000 2.110 525 E HA -0.183 4.168 4.350 0.001 0.000 0.193 525 E C 1.814 178.496 176.600 0.136 0.000 0.988 525 E CA 1.665 58.169 56.400 0.172 0.000 0.804 525 E CB -0.110 29.654 29.700 0.107 0.000 0.745 525 E HN 0.348 nan 8.360 nan 0.000 0.458 526 K N -0.337 120.111 120.400 0.080 0.000 2.062 526 K HA 0.020 4.341 4.320 0.001 0.000 0.205 526 K C 2.248 178.844 176.600 -0.006 0.000 1.051 526 K CA 1.152 57.453 56.287 0.024 0.000 0.941 526 K CB -0.132 32.367 32.500 -0.002 0.000 0.719 526 K HN 0.171 nan 8.250 nan 0.000 0.440 527 L N -0.124 121.114 121.223 0.023 0.000 2.093 527 L HA -0.202 4.139 4.340 0.001 0.000 0.208 527 L C 2.439 179.123 176.870 -0.310 0.000 1.085 527 L CA 1.110 55.924 54.840 -0.044 0.000 0.755 527 L CB -0.442 41.720 42.059 0.172 0.000 0.904 527 L HN 0.206 nan 8.230 nan 0.000 0.435 528 Y N 0.935 120.990 120.300 -0.410 0.000 2.181 528 Y HA -0.272 4.278 4.550 0.001 0.000 0.288 528 Y C 2.751 178.499 175.900 -0.253 0.000 1.146 528 Y CA 1.450 59.203 58.100 -0.578 0.000 1.164 528 Y CB -0.158 38.170 38.460 -0.221 0.000 0.982 528 Y HN 0.161 nan 8.280 nan 0.000 0.515 529 Q N 0.449 120.119 119.800 -0.215 0.000 2.135 529 Q HA -0.174 4.167 4.340 0.001 0.000 0.204 529 Q C 2.003 177.859 176.000 -0.239 0.000 0.981 529 Q CA 1.635 57.298 55.803 -0.232 0.000 0.856 529 Q CB -0.333 28.353 28.738 -0.088 0.000 0.902 529 Q HN 0.579 nan 8.270 nan 0.000 0.425 530 E N -0.401 119.680 120.200 -0.199 0.000 2.106 530 E HA -0.165 4.186 4.350 0.001 0.000 0.192 530 E C 1.864 178.356 176.600 -0.179 0.000 0.984 530 E CA 0.714 57.020 56.400 -0.157 0.000 0.806 530 E CB -0.440 29.192 29.700 -0.114 0.000 0.750 530 E HN 0.485 nan 8.360 nan 0.000 0.458 531 Y N 1.700 121.741 120.300 -0.430 0.000 2.145 531 Y HA -0.238 4.313 4.550 0.001 0.000 0.286 531 Y C 2.290 177.987 175.900 -0.339 0.000 1.145 531 Y CA 1.366 59.218 58.100 -0.412 0.000 1.148 531 Y CB -0.223 37.847 38.460 -0.650 0.000 0.981 531 Y HN -0.196 nan 8.280 nan 0.000 0.507 532 V N -0.116 119.580 119.914 -0.363 0.000 2.282 532 V HA -0.387 3.733 4.120 0.001 0.000 0.249 532 V C 2.289 178.281 176.094 -0.169 0.000 1.057 532 V CA 2.516 64.608 62.300 -0.348 0.000 1.032 532 V CB -1.289 30.274 31.823 -0.433 0.000 0.645 532 V HN 0.511 nan 8.190 nan 0.000 0.447 533 T N 0.377 114.835 114.554 -0.160 0.000 2.720 533 T HA -0.138 4.213 4.350 0.001 0.000 0.268 533 T C 1.838 176.515 174.700 -0.039 0.000 1.037 533 T CA 1.646 63.694 62.100 -0.088 0.000 1.144 533 T CB -0.291 68.511 68.868 -0.110 0.000 0.864 533 T HN 0.325 nan 8.240 nan 0.000 0.444 534 L N 0.093 121.272 121.223 -0.073 0.000 2.156 534 L HA -0.058 4.283 4.340 0.001 0.000 0.208 534 L C 2.663 179.591 176.870 0.096 0.000 1.095 534 L CA 1.118 55.981 54.840 0.037 0.000 0.770 534 L CB -0.717 41.363 42.059 0.036 0.000 0.914 534 L HN 0.410 nan 8.230 nan 0.000 0.439 535 H N 0.969 119.899 119.070 -0.234 0.000 2.319 535 H HA -0.206 4.351 4.556 0.001 0.000 0.299 535 H C 1.466 176.906 175.328 0.186 0.000 1.092 535 H CA 2.237 58.214 56.048 -0.118 0.000 1.302 535 H CB 0.168 29.762 29.762 -0.281 0.000 1.373 535 H HN 0.324 nan 8.280 nan 0.000 0.497 536 D N -0.336 120.231 120.400 0.277 0.000 2.123 536 D HA -0.129 4.511 4.640 0.001 0.000 0.200 536 D C 2.104 178.461 176.300 0.094 0.000 0.976 536 D CA 0.805 54.919 54.000 0.191 0.000 0.831 536 D CB -0.799 40.086 40.800 0.142 0.000 0.974 536 D HN 0.410 nan 8.370 nan 0.000 0.469 537 Y N 0.538 120.796 120.300 -0.070 0.000 2.097 537 Y HA -0.228 4.323 4.550 0.001 0.000 0.282 537 Y C 1.809 177.572 175.900 -0.229 0.000 1.152 537 Y CA 1.537 59.505 58.100 -0.220 0.000 1.136 537 Y CB -0.489 37.730 38.460 -0.402 0.000 0.975 537 Y HN -0.149 nan 8.280 nan 0.000 0.498 538 F N -0.831 119.100 119.950 -0.031 0.000 2.615 538 F HA 0.202 4.730 4.527 0.001 0.000 0.297 538 F C 2.262 178.072 175.800 0.016 0.000 1.124 538 F CA 1.017 58.991 58.000 -0.043 0.000 1.451 538 F CB -0.171 38.925 39.000 0.160 0.000 1.103 538 F HN 0.141 nan 8.300 nan 0.000 0.569 539 G N -1.011 107.892 108.800 0.172 0.000 3.274 539 G HA2 0.133 4.093 3.960 0.001 0.000 0.250 539 G HA3 0.133 4.093 3.960 0.001 0.000 0.250 539 G C 1.296 176.134 174.900 -0.104 0.000 1.024 539 G CA -0.210 44.859 45.100 -0.052 0.000 0.840 539 G HN 0.171 nan 8.290 nan 0.000 0.522 540 R N -0.501 119.962 120.500 -0.061 0.000 2.535 540 R HA 0.343 4.683 4.340 0.001 0.000 0.323 540 R C 1.447 177.706 176.300 -0.068 0.000 0.979 540 R CA 0.537 56.606 56.100 -0.051 0.000 1.120 540 R CB 1.065 31.363 30.300 -0.002 0.000 1.306 540 R HN 0.309 nan 8.270 nan 0.000 0.540 541 G N 0.169 108.907 108.800 -0.103 0.000 2.428 541 G HA2 -0.285 3.676 3.960 0.001 0.000 0.199 541 G HA3 -0.285 3.676 3.960 0.001 0.000 0.199 541 G C 1.031 175.845 174.900 -0.144 0.000 1.005 541 G CA 0.022 45.058 45.100 -0.106 0.000 0.671 541 G HN 0.272 nan 8.290 nan 0.000 0.485 542 A N 0.165 122.868 122.820 -0.195 0.000 1.892 542 A HA 0.142 4.463 4.320 0.001 0.000 0.218 542 A C 1.202 178.591 177.584 -0.326 0.000 1.188 542 A CA 2.307 54.206 52.037 -0.229 0.000 0.631 542 A CB -0.201 18.667 19.000 -0.221 0.000 0.822 542 A HN 1.005 nan 8.150 nan 0.000 0.447 543 N N -0.345 118.039 118.700 -0.525 0.000 2.558 543 N HA 0.180 4.921 4.740 0.001 0.000 0.285 543 N C -1.587 173.790 175.510 -0.223 0.000 1.112 543 N CA -0.449 52.357 53.050 -0.407 0.000 0.857 543 N CB 1.274 39.369 38.487 -0.653 0.000 1.376 543 N HN 0.064 nan 8.380 nan 0.000 0.526 544 D N 2.741 123.077 120.400 -0.108 0.000 2.325 544 D HA -0.023 4.618 4.640 0.001 0.000 0.234 544 D C 1.760 178.058 176.300 -0.003 0.000 1.122 544 D CA 0.021 53.991 54.000 -0.049 0.000 0.850 544 D CB 0.518 41.283 40.800 -0.057 0.000 0.921 544 D HN 0.374 nan 8.370 nan 0.000 0.513 545 V N 0.683 120.617 119.914 0.033 0.000 2.357 545 V HA -0.373 3.747 4.120 0.001 0.000 0.257 545 V C 2.087 178.197 176.094 0.027 0.000 1.082 545 V CA 1.802 64.134 62.300 0.053 0.000 1.078 545 V CB -0.256 31.641 31.823 0.124 0.000 0.663 545 V HN 0.228 nan 8.190 nan 0.000 0.455 546 M N -0.749 118.871 119.600 0.034 0.000 2.108 546 M HA -0.243 4.238 4.480 0.001 0.000 0.261 546 M C 2.181 178.458 176.300 -0.039 0.000 1.066 546 M CA 2.596 57.883 55.300 -0.022 0.000 1.107 546 M CB -0.435 32.156 32.600 -0.016 0.000 1.356 546 M HN 0.325 nan 8.290 nan 0.000 0.406 547 K N -0.238 120.140 120.400 -0.037 0.000 2.057 547 K HA -0.081 4.240 4.320 0.001 0.000 0.206 547 K C 2.002 178.580 176.600 -0.038 0.000 1.050 547 K CA 1.061 57.319 56.287 -0.047 0.000 0.935 547 K CB -0.209 32.259 32.500 -0.052 0.000 0.715 547 K HN 0.329 nan 8.250 nan 0.000 0.439 548 R N 0.426 120.909 120.500 -0.028 0.000 2.148 548 R HA -0.057 4.284 4.340 0.001 0.000 0.227 548 R C 2.012 178.298 176.300 -0.024 0.000 1.103 548 R CA 0.692 56.779 56.100 -0.023 0.000 0.983 548 R CB -0.254 30.038 30.300 -0.014 0.000 0.874 548 R HN 0.063 nan 8.270 nan 0.000 0.451 549 L N 1.194 122.401 121.223 -0.027 0.000 2.141 549 L HA -0.124 4.217 4.340 0.001 0.000 0.209 549 L C 2.065 178.912 176.870 -0.039 0.000 1.094 549 L CA 1.707 56.527 54.840 -0.033 0.000 0.763 549 L CB -0.362 41.671 42.059 -0.043 0.000 0.908 549 L HN -0.044 nan 8.230 nan 0.000 0.437 550 K N -0.540 119.834 120.400 -0.044 0.000 2.025 550 K HA 0.036 4.357 4.320 0.001 0.000 0.207 550 K C 2.094 178.673 176.600 -0.035 0.000 1.049 550 K CA 1.308 57.568 56.287 -0.044 0.000 0.933 550 K CB -0.761 31.708 32.500 -0.050 0.000 0.714 550 K HN 0.261 nan 8.250 nan 0.000 0.438 551 A N 1.434 124.235 122.820 -0.033 0.000 2.024 551 A HA -0.125 4.196 4.320 0.001 0.000 0.220 551 A C 2.263 179.833 177.584 -0.024 0.000 1.164 551 A CA 1.231 53.251 52.037 -0.028 0.000 0.643 551 A CB -0.536 18.448 19.000 -0.026 0.000 0.806 551 A HN 0.174 nan 8.150 nan 0.000 0.451 552 L N -1.077 120.132 121.223 -0.023 0.000 2.127 552 L HA 0.002 4.343 4.340 0.001 0.000 0.203 552 L C 1.670 178.527 176.870 -0.020 0.000 1.080 552 L CA 0.573 55.402 54.840 -0.020 0.000 0.768 552 L CB -0.353 41.696 42.059 -0.018 0.000 0.924 552 L HN 0.362 nan 8.230 nan 0.000 0.444 553 K N 0.000 120.386 120.400 -0.024 0.000 2.780 553 K HA 0.000 4.321 4.320 0.001 0.000 0.191 553 K CA 0.000 56.273 56.287 -0.023 0.000 0.838 553 K CB 0.000 32.483 32.500 -0.029 0.000 1.064 553 K HN 0.000 nan 8.250 nan 0.000 0.543