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 3e77_1_B DATA FIRST_RESID 9 DATA SEQUENCE ENLYFQSMLP HSVLLEIQKE LLDYKGVGIS VLEMSHRSSD FAKIINNTEN DATA SEQUENCE LVRELLAVPD NYKVIFLQGG GCGQFSAVPL NLIGLKAGRC ADYVVTGAWS DATA SEQUENCE AKAAEEAKKF GTINIVHPKL GSYTKIPDPS TWNLNPDASY VYYCANETVH DATA SEQUENCE GVEFDFIPDV KGAVLVCDMS SNFLSKPVDV SKFGVIFAGA QKNVGSAGVT DATA SEQUENCE VVIVRDDLLG FALRECPSVL EYKVQAGNSS LYNTPPCFSI YVMGLVLEWI DATA SEQUENCE KNNGGAAAME KLSSIKSQTI YEIIDNSQGF YVCPVEPQNR SKMNIPFRIG DATA SEQUENCE NAKGDDALEK RFLDKALELN MLSLKGHRSV GGIRASLYNA VTIEDVQKLA DATA SEQUENCE AFMKKFLEMH QL 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 9 E HA 0.000 nan 4.350 nan 0.000 0.291 9 E C 0.000 176.598 176.600 -0.003 0.000 1.382 9 E CA 0.000 56.404 56.400 0.007 0.000 0.976 9 E CB 0.000 29.702 29.700 0.004 0.000 0.812 10 N N -0.837 117.880 118.700 0.028 0.000 2.374 10 N HA 0.773 5.513 4.740 -0.000 0.000 0.284 10 N C -0.712 174.750 175.510 -0.079 0.000 1.280 10 N CA -0.468 52.547 53.050 -0.057 0.000 0.963 10 N CB 0.858 39.292 38.487 -0.089 0.000 1.141 10 N HN 0.651 nan 8.380 nan 0.000 0.565 11 L N 0.916 121.978 121.223 -0.268 0.000 2.541 11 L HA 0.349 4.689 4.340 -0.000 0.000 0.266 11 L C -1.915 174.722 176.870 -0.389 0.000 0.966 11 L CA -0.353 54.350 54.840 -0.229 0.000 0.871 11 L CB 0.632 42.596 42.059 -0.160 0.000 1.232 11 L HN 0.427 nan 8.230 nan 0.000 0.408 12 Y N 4.636 124.762 120.300 -0.290 0.000 2.328 12 Y HA 0.444 4.994 4.550 -0.000 0.000 0.337 12 Y C -0.308 175.412 175.900 -0.300 0.000 0.966 12 Y CA -0.262 57.734 58.100 -0.173 0.000 1.136 12 Y CB 1.311 39.728 38.460 -0.072 0.000 1.170 12 Y HN 0.422 nan 8.280 nan 0.000 0.470 13 F N 3.686 123.726 119.950 0.149 0.000 2.560 13 F HA 0.273 4.800 4.527 -0.000 0.000 0.338 13 F C 0.298 176.198 175.800 0.167 0.000 1.201 13 F CA -0.394 57.679 58.000 0.122 0.000 1.291 13 F CB -0.055 38.983 39.000 0.063 0.000 1.627 13 F HN 0.487 nan 8.300 nan 0.000 0.588 14 Q N -1.188 118.793 119.800 0.303 0.000 2.707 14 Q HA 0.501 4.841 4.340 -0.000 0.000 0.307 14 Q C -0.865 175.349 176.000 0.357 0.000 0.934 14 Q CA -1.324 54.692 55.803 0.355 0.000 0.753 14 Q CB 1.292 30.184 28.738 0.257 0.000 1.478 14 Q HN 0.149 nan 8.270 nan 0.000 0.458 15 S N 1.014 116.829 115.700 0.192 0.000 2.533 15 S HA 0.530 5.000 4.470 -0.000 0.000 0.282 15 S C 0.054 174.606 174.600 -0.080 0.000 1.304 15 S CA -0.283 57.848 58.200 -0.115 0.000 1.063 15 S CB 0.160 63.071 63.200 -0.481 0.000 0.881 15 S HN 0.506 nan 8.310 nan 0.000 0.493 16 M N 1.967 121.512 119.600 -0.091 0.000 2.704 16 M HA 0.528 5.008 4.480 -0.000 0.000 0.284 16 M C -0.847 175.348 176.300 -0.176 0.000 1.275 16 M CA -0.678 54.546 55.300 -0.126 0.000 0.811 16 M CB 1.470 34.010 32.600 -0.101 0.000 1.741 16 M HN 0.634 nan 8.290 nan 0.000 0.458 17 L N 1.427 122.530 121.223 -0.200 0.000 2.334 17 L HA 0.502 4.842 4.340 -0.000 0.000 0.272 17 L C -2.118 174.551 176.870 -0.335 0.000 1.020 17 L CA -1.773 52.904 54.840 -0.271 0.000 0.812 17 L CB 1.543 43.462 42.059 -0.233 0.000 1.264 17 L HN 0.314 nan 8.230 nan 0.000 0.439 18 P HA -0.000 nan 4.420 nan 0.000 0.267 18 P C 0.491 177.609 177.300 -0.304 0.000 1.205 18 P CA -0.035 62.696 63.100 -0.616 0.000 0.765 18 P CB 0.367 31.201 31.700 -1.444 0.000 0.828 19 H N 2.721 121.663 119.070 -0.213 0.000 2.362 19 H HA -0.203 4.353 4.556 -0.000 0.000 0.294 19 H C 1.492 176.763 175.328 -0.095 0.000 1.113 19 H CA 2.568 58.544 56.048 -0.119 0.000 1.253 19 H CB 0.034 29.761 29.762 -0.059 0.000 1.363 19 H HN 0.442 nan 8.280 nan 0.000 0.494 20 S N -0.265 115.390 115.700 -0.074 0.000 2.423 20 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 20 S C 2.347 176.876 174.600 -0.118 0.000 1.014 20 S CA 1.068 59.231 58.200 -0.061 0.000 0.965 20 S CB -0.681 62.572 63.200 0.088 0.000 0.785 20 S HN 0.194 nan 8.310 nan 0.000 0.495 21 V N 2.170 121.972 119.914 -0.186 0.000 2.295 21 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 21 V C 2.501 178.485 176.094 -0.183 0.000 1.049 21 V CA 1.661 63.844 62.300 -0.194 0.000 1.024 21 V CB -0.839 30.818 31.823 -0.276 0.000 0.648 21 V HN 0.446 nan 8.190 nan 0.000 0.447 22 L N -0.872 120.223 121.223 -0.214 0.000 2.141 22 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 22 L C 2.345 179.118 176.870 -0.161 0.000 1.094 22 L CA 1.193 55.926 54.840 -0.178 0.000 0.763 22 L CB -0.359 41.578 42.059 -0.204 0.000 0.908 22 L HN 0.317 nan 8.230 nan 0.000 0.437 23 L N -0.647 120.442 121.223 -0.223 0.000 2.056 23 L HA -0.215 4.125 4.340 -0.000 0.000 0.207 23 L C 2.556 179.390 176.870 -0.059 0.000 1.078 23 L CA 1.273 56.018 54.840 -0.159 0.000 0.749 23 L CB -0.350 41.604 42.059 -0.175 0.000 0.901 23 L HN 0.296 nan 8.230 nan 0.000 0.433 24 E N 0.445 120.618 120.200 -0.045 0.000 2.107 24 E HA -0.189 4.161 4.350 -0.000 0.000 0.191 24 E C 2.320 178.967 176.600 0.080 0.000 0.982 24 E CA 0.809 57.217 56.400 0.013 0.000 0.809 24 E CB 0.067 29.772 29.700 0.008 0.000 0.756 24 E HN 0.426 nan 8.360 nan 0.000 0.459 25 I N 1.029 121.638 120.570 0.065 0.000 2.163 25 I HA -0.333 3.837 4.170 -0.000 0.000 0.243 25 I C 2.807 179.033 176.117 0.182 0.000 1.085 25 I CA 1.423 62.835 61.300 0.186 0.000 1.347 25 I CB -0.271 37.805 38.000 0.125 0.000 1.044 25 I HN 0.214 nan 8.210 nan 0.000 0.408 26 Q N 1.041 120.894 119.800 0.089 0.000 2.119 26 Q HA -0.256 4.084 4.340 -0.000 0.000 0.201 26 Q C 2.294 178.330 176.000 0.060 0.000 0.972 26 Q CA 1.509 57.351 55.803 0.066 0.000 0.847 26 Q CB -0.001 28.747 28.738 0.018 0.000 0.903 26 Q HN 0.328 nan 8.270 nan 0.000 0.433 27 K N 0.232 120.661 120.400 0.049 0.000 2.103 27 K HA -0.191 4.129 4.320 -0.000 0.000 0.207 27 K C 1.139 177.771 176.600 0.052 0.000 1.048 27 K CA 1.580 57.889 56.287 0.038 0.000 0.930 27 K CB 0.125 32.640 32.500 0.025 0.000 0.716 27 K HN 0.166 nan 8.250 nan 0.000 0.444 28 E N -0.000 120.257 120.200 0.095 0.000 2.481 28 E HA 0.021 4.371 4.350 -0.000 0.000 0.198 28 E C 1.282 177.962 176.600 0.134 0.000 1.027 28 E CA -0.266 56.199 56.400 0.108 0.000 0.900 28 E CB 0.313 30.102 29.700 0.147 0.000 0.993 28 E HN 0.107 nan 8.360 nan 0.000 0.482 29 L N 0.512 121.813 121.223 0.130 0.000 1.971 29 L HA -0.246 4.094 4.340 -0.000 0.000 0.215 29 L C 1.779 178.689 176.870 0.067 0.000 1.072 29 L CA 1.803 56.714 54.840 0.119 0.000 0.758 29 L CB -0.167 41.947 42.059 0.091 0.000 0.889 29 L HN 0.249 nan 8.230 nan 0.000 0.433 30 L N -1.645 119.605 121.223 0.044 0.000 2.201 30 L HA -0.050 4.290 4.340 -0.000 0.000 0.212 30 L C 0.265 177.154 176.870 0.032 0.000 1.105 30 L CA 0.727 55.581 54.840 0.024 0.000 0.775 30 L CB -0.311 41.756 42.059 0.014 0.000 0.913 30 L HN 0.317 nan 8.230 nan 0.000 0.440 31 D N -1.049 119.380 120.400 0.049 0.000 2.527 31 D HA 0.035 4.675 4.640 -0.000 0.000 0.242 31 D C -1.025 175.315 176.300 0.068 0.000 1.285 31 D CA -0.576 53.453 54.000 0.050 0.000 0.886 31 D CB 0.374 41.187 40.800 0.021 0.000 1.402 31 D HN 0.001 nan 8.370 nan 0.000 0.528 32 Y N 4.429 124.712 120.300 -0.028 0.000 2.834 32 Y HA -0.001 4.549 4.550 -0.000 0.000 0.355 32 Y C 0.620 176.511 175.900 -0.014 0.000 1.287 32 Y CA 0.228 58.305 58.100 -0.038 0.000 1.647 32 Y CB 0.136 38.541 38.460 -0.091 0.000 1.221 32 Y HN 0.168 nan 8.280 nan 0.000 0.519 33 K N 4.474 124.591 120.400 -0.471 0.000 3.257 33 K HA -0.223 4.096 4.320 -0.000 0.000 0.270 33 K C 0.946 177.441 176.600 -0.175 0.000 0.984 33 K CA 0.921 56.965 56.287 -0.405 0.000 0.739 33 K CB -2.072 30.041 32.500 -0.644 0.000 1.351 33 K HN 1.343 nan 8.250 nan 0.000 0.463 34 G N -1.025 107.720 108.800 -0.092 0.000 2.186 34 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.266 34 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.266 34 G C 0.833 175.727 174.900 -0.010 0.000 0.982 34 G CA 0.458 45.534 45.100 -0.040 0.000 0.670 34 G HN 0.332 nan 8.290 nan 0.000 0.533 35 V N 0.038 119.961 119.914 0.014 0.000 3.141 35 V HA 0.348 4.468 4.120 -0.000 0.000 0.265 35 V C 2.384 178.502 176.094 0.040 0.000 1.126 35 V CA 1.702 64.031 62.300 0.047 0.000 1.141 35 V CB -0.640 31.251 31.823 0.114 0.000 0.743 35 V HN 1.994 nan 8.190 nan 0.000 0.492 36 G N 0.407 109.227 108.800 0.033 0.000 2.137 36 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.237 36 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.237 36 G C -0.177 174.738 174.900 0.025 0.000 1.002 36 G CA 0.426 45.539 45.100 0.023 0.000 0.702 36 G HN 0.509 nan 8.290 nan 0.000 0.515 37 I N -0.150 120.446 120.570 0.043 0.000 2.787 37 I HA 0.568 4.738 4.170 -0.000 0.000 0.294 37 I C 0.149 176.291 176.117 0.042 0.000 1.365 37 I CA -0.647 60.671 61.300 0.030 0.000 1.029 37 I CB 1.901 39.913 38.000 0.020 0.000 1.313 37 I HN 0.154 nan 8.210 nan 0.000 0.431 38 S N 3.468 119.173 115.700 0.009 0.000 2.576 38 S HA 0.184 4.654 4.470 -0.000 0.000 0.276 38 S C 1.113 175.679 174.600 -0.057 0.000 1.339 38 S CA -0.367 57.831 58.200 -0.002 0.000 1.039 38 S CB 1.485 64.668 63.200 -0.029 0.000 0.902 38 S HN 0.488 nan 8.310 nan 0.000 0.516 39 V N 5.421 125.258 119.914 -0.128 0.000 2.469 39 V HA -0.170 3.950 4.120 -0.000 0.000 0.251 39 V C 2.136 178.194 176.094 -0.058 0.000 1.064 39 V CA 1.844 63.994 62.300 -0.249 0.000 1.066 39 V CB -0.656 30.772 31.823 -0.659 0.000 0.667 39 V HN 0.810 nan 8.190 nan 0.000 0.461 40 L N -0.546 120.660 121.223 -0.029 0.000 2.275 40 L HA -0.143 4.197 4.340 -0.000 0.000 0.215 40 L C 2.083 178.886 176.870 -0.112 0.000 1.119 40 L CA 1.401 56.169 54.840 -0.120 0.000 0.790 40 L CB -0.285 41.599 42.059 -0.291 0.000 0.919 40 L HN 0.423 nan 8.230 nan 0.000 0.443 41 E N -1.121 119.025 120.200 -0.089 0.000 2.498 41 E HA 0.097 4.447 4.350 -0.000 0.000 0.203 41 E C 0.500 177.058 176.600 -0.071 0.000 1.013 41 E CA -0.313 56.042 56.400 -0.076 0.000 0.927 41 E CB 0.506 30.171 29.700 -0.057 0.000 1.012 41 E HN 0.295 nan 8.360 nan 0.000 0.482 42 M N 1.952 121.500 119.600 -0.086 0.000 2.238 42 M HA 0.032 4.512 4.480 -0.000 0.000 0.350 42 M C 0.166 176.407 176.300 -0.099 0.000 1.321 42 M CA 0.185 55.437 55.300 -0.079 0.000 1.097 42 M CB 0.765 33.310 32.600 -0.090 0.000 1.713 42 M HN -0.106 nan 8.290 nan 0.000 0.455 43 S N 3.518 119.182 115.700 -0.060 0.000 2.516 43 S HA -0.009 4.461 4.470 -0.000 0.000 0.282 43 S C 1.440 175.980 174.600 -0.100 0.000 1.286 43 S CA -0.469 57.699 58.200 -0.054 0.000 1.066 43 S CB 0.288 63.458 63.200 -0.050 0.000 0.884 43 S HN 0.884 nan 8.310 nan 0.000 0.491 44 H N 4.330 123.256 119.070 -0.239 0.000 2.491 44 H HA 0.041 4.597 4.556 -0.000 0.000 0.290 44 H C 1.362 176.700 175.328 0.017 0.000 1.050 44 H CA 0.830 56.672 56.048 -0.344 0.000 1.309 44 H CB -0.242 29.296 29.762 -0.372 0.000 1.392 44 H HN 0.483 nan 8.280 nan 0.000 0.554 45 R N 1.305 121.409 120.500 -0.659 0.000 2.356 45 R HA 0.130 4.470 4.340 -0.000 0.000 0.234 45 R C 0.845 177.070 176.300 -0.125 0.000 0.929 45 R CA 0.429 56.285 56.100 -0.406 0.000 1.084 45 R CB -0.561 29.463 30.300 -0.460 0.000 1.105 45 R HN 0.719 nan 8.270 nan 0.000 0.515 46 S N -0.421 115.258 115.700 -0.036 0.000 2.632 46 S HA 0.147 4.616 4.470 -0.000 0.000 0.271 46 S C 1.591 176.221 174.600 0.050 0.000 1.260 46 S CA -0.082 58.125 58.200 0.012 0.000 1.010 46 S CB 1.837 65.051 63.200 0.025 0.000 0.965 46 S HN 0.294 nan 8.310 nan 0.000 0.534 47 S N 0.943 116.662 115.700 0.030 0.000 2.383 47 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 47 S C 1.145 175.768 174.600 0.037 0.000 1.026 47 S CA 1.154 59.370 58.200 0.028 0.000 0.981 47 S CB -0.860 62.352 63.200 0.019 0.000 0.818 47 S HN 0.770 nan 8.310 nan 0.000 0.472 48 D N 1.167 121.601 120.400 0.057 0.000 2.127 48 D HA -0.130 4.510 4.640 -0.000 0.000 0.190 48 D C 1.553 177.882 176.300 0.048 0.000 1.000 48 D CA 1.447 55.491 54.000 0.074 0.000 0.839 48 D CB -0.553 40.299 40.800 0.086 0.000 0.955 48 D HN 0.494 nan 8.370 nan 0.000 0.446 49 F N 1.489 121.398 119.950 -0.068 0.000 2.171 49 F HA -0.084 4.443 4.527 -0.000 0.000 0.300 49 F C 2.198 177.975 175.800 -0.039 0.000 1.090 49 F CA 1.217 59.168 58.000 -0.081 0.000 1.293 49 F CB -0.315 38.645 39.000 -0.066 0.000 1.013 49 F HN -0.077 nan 8.300 nan 0.000 0.486 50 A N 0.589 123.356 122.820 -0.089 0.000 1.892 50 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 50 A C 2.337 179.809 177.584 -0.187 0.000 1.188 50 A CA 2.052 54.007 52.037 -0.137 0.000 0.631 50 A CB -0.820 18.166 19.000 -0.024 0.000 0.822 50 A HN 0.426 nan 8.150 nan 0.000 0.447 51 K N -0.701 119.630 120.400 -0.115 0.000 2.059 51 K HA -0.187 4.133 4.320 -0.000 0.000 0.212 51 K C 1.883 178.393 176.600 -0.148 0.000 1.050 51 K CA 1.838 58.076 56.287 -0.083 0.000 0.927 51 K CB -0.464 32.032 32.500 -0.006 0.000 0.714 51 K HN 0.602 nan 8.250 nan 0.000 0.447 52 I N 0.646 121.052 120.570 -0.273 0.000 2.110 52 I HA -0.271 3.899 4.170 -0.000 0.000 0.236 52 I C 2.492 178.363 176.117 -0.410 0.000 1.068 52 I CA 1.042 62.154 61.300 -0.314 0.000 1.333 52 I CB -0.202 37.590 38.000 -0.346 0.000 1.054 52 I HN 0.132 nan 8.210 nan 0.000 0.402 53 I N 0.598 120.732 120.570 -0.728 0.000 2.454 53 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 53 I C 2.254 178.264 176.117 -0.179 0.000 1.156 53 I CA 1.451 62.443 61.300 -0.513 0.000 1.433 53 I CB -0.313 37.355 38.000 -0.554 0.000 1.082 53 I HN 0.307 nan 8.210 nan 0.000 0.432 54 N N 0.679 119.280 118.700 -0.166 0.000 2.171 54 N HA -0.209 4.531 4.740 -0.000 0.000 0.184 54 N C 1.666 177.164 175.510 -0.020 0.000 1.021 54 N CA 1.315 54.336 53.050 -0.048 0.000 0.854 54 N CB -0.124 38.334 38.487 -0.048 0.000 0.994 54 N HN 0.378 nan 8.380 nan 0.000 0.426 55 N N 0.471 119.139 118.700 -0.054 0.000 2.043 55 N HA -0.109 4.631 4.740 -0.000 0.000 0.193 55 N C 1.515 177.020 175.510 -0.008 0.000 1.037 55 N CA 1.937 54.973 53.050 -0.024 0.000 0.851 55 N CB -0.397 38.076 38.487 -0.024 0.000 1.027 55 N HN 0.087 nan 8.380 nan 0.000 0.422 56 T N 0.211 114.731 114.554 -0.056 0.000 2.665 56 T HA -0.202 4.148 4.350 -0.000 0.000 0.268 56 T C 1.614 176.426 174.700 0.187 0.000 1.035 56 T CA 1.539 63.617 62.100 -0.036 0.000 1.151 56 T CB -0.459 68.223 68.868 -0.311 0.000 0.862 56 T HN 0.429 nan 8.240 nan 0.000 0.438 57 E N 1.042 121.418 120.200 0.294 0.000 2.058 57 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 57 E C 2.129 178.822 176.600 0.155 0.000 0.997 57 E CA 1.082 57.687 56.400 0.340 0.000 0.801 57 E CB -0.107 29.744 29.700 0.252 0.000 0.746 57 E HN 0.366 nan 8.360 nan 0.000 0.450 58 N N 0.522 119.279 118.700 0.096 0.000 2.223 58 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 58 N C 2.085 177.624 175.510 0.047 0.000 1.016 58 N CA 0.838 53.921 53.050 0.055 0.000 0.863 58 N CB -0.167 38.340 38.487 0.034 0.000 0.983 58 N HN 0.255 nan 8.380 nan 0.000 0.429 59 L N 0.506 121.763 121.223 0.057 0.000 2.056 59 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 59 L C 2.314 179.213 176.870 0.050 0.000 1.078 59 L CA 0.665 55.531 54.840 0.044 0.000 0.749 59 L CB -0.472 41.612 42.059 0.041 0.000 0.901 59 L HN -0.067 nan 8.230 nan 0.000 0.433 60 V N -0.069 119.903 119.914 0.097 0.000 2.220 60 V HA -0.339 3.781 4.120 -0.000 0.000 0.246 60 V C 2.605 178.713 176.094 0.024 0.000 1.049 60 V CA 1.957 64.312 62.300 0.092 0.000 1.003 60 V CB -0.751 31.169 31.823 0.162 0.000 0.634 60 V HN 0.418 nan 8.190 nan 0.000 0.444 61 R N -0.200 120.315 120.500 0.025 0.000 2.134 61 R HA -0.296 4.044 4.340 -0.000 0.000 0.248 61 R C 2.387 178.680 176.300 -0.011 0.000 1.143 61 R CA 2.306 58.407 56.100 0.002 0.000 0.957 61 R CB -0.525 29.784 30.300 0.015 0.000 0.867 61 R HN 0.726 nan 8.270 nan 0.000 0.441 62 E N 0.955 121.153 120.200 -0.003 0.000 2.017 62 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 62 E C 2.080 178.661 176.600 -0.032 0.000 0.997 62 E CA 1.042 57.434 56.400 -0.013 0.000 0.804 62 E CB -0.032 29.664 29.700 -0.006 0.000 0.757 62 E HN 0.268 nan 8.360 nan 0.000 0.448 63 L N 0.309 121.509 121.223 -0.038 0.000 2.141 63 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 63 L C 2.195 179.005 176.870 -0.099 0.000 1.094 63 L CA 0.647 55.448 54.840 -0.066 0.000 0.763 63 L CB -0.036 41.983 42.059 -0.067 0.000 0.908 63 L HN 0.251 nan 8.230 nan 0.000 0.437 64 L N -0.591 120.565 121.223 -0.110 0.000 2.640 64 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 64 L C 1.069 177.880 176.870 -0.099 0.000 1.123 64 L CA -0.030 54.727 54.840 -0.138 0.000 0.900 64 L CB 0.018 41.961 42.059 -0.194 0.000 1.146 64 L HN 0.206 nan 8.230 nan 0.000 0.484 65 A N 0.423 123.201 122.820 -0.069 0.000 2.519 65 A HA -0.150 4.170 4.320 -0.000 0.000 0.297 65 A C 0.293 177.840 177.584 -0.063 0.000 1.472 65 A CA 0.127 52.134 52.037 -0.049 0.000 0.739 65 A CB -2.356 16.621 19.000 -0.038 0.000 1.096 65 A HN 0.062 nan 8.150 nan 0.000 0.414 66 V N 1.740 121.611 119.914 -0.072 0.000 2.529 66 V HA 0.257 4.377 4.120 -0.000 0.000 0.292 66 V C -1.100 174.983 176.094 -0.018 0.000 1.028 66 V CA -0.408 61.831 62.300 -0.102 0.000 1.074 66 V CB 0.267 32.044 31.823 -0.076 0.000 0.958 66 V HN 0.640 nan 8.190 nan 0.000 0.481 67 P HA 0.153 nan 4.420 nan 0.000 0.272 67 P C 0.397 177.822 177.300 0.209 0.000 1.230 67 P CA -0.322 62.864 63.100 0.145 0.000 0.788 67 P CB 0.585 32.432 31.700 0.246 0.000 0.949 68 D N 0.305 120.787 120.400 0.137 0.000 2.263 68 D HA -0.125 4.515 4.640 -0.000 0.000 0.208 68 D C 1.145 177.495 176.300 0.082 0.000 0.971 68 D CA 1.036 55.091 54.000 0.093 0.000 0.867 68 D CB -0.409 40.425 40.800 0.056 0.000 0.929 68 D HN 0.465 nan 8.370 nan 0.000 0.492 69 N N -0.277 118.472 118.700 0.083 0.000 2.362 69 N HA -0.126 4.614 4.740 -0.000 0.000 0.204 69 N C -0.641 174.759 175.510 -0.182 0.000 1.166 69 N CA -0.069 52.952 53.050 -0.048 0.000 0.831 69 N CB -0.256 38.171 38.487 -0.099 0.000 1.008 69 N HN 0.128 nan 8.380 nan 0.000 0.472 70 Y N 0.787 121.086 120.300 -0.002 0.000 2.352 70 Y HA 0.362 4.912 4.550 -0.000 0.000 0.339 70 Y C 0.413 176.289 175.900 -0.040 0.000 0.992 70 Y CA -0.945 57.144 58.100 -0.018 0.000 1.100 70 Y CB 1.516 39.967 38.460 -0.016 0.000 1.192 70 Y HN -0.244 nan 8.280 nan 0.000 0.458 71 K N 2.495 122.932 120.400 0.061 0.000 2.118 71 K HA 0.558 4.878 4.320 -0.000 0.000 0.267 71 K C -1.039 175.530 176.600 -0.052 0.000 0.991 71 K CA -0.704 55.578 56.287 -0.008 0.000 0.916 71 K CB 1.994 34.468 32.500 -0.044 0.000 1.041 71 K HN 0.368 nan 8.250 nan 0.000 0.455 72 V N 4.701 124.544 119.914 -0.119 0.000 2.409 72 V HA 0.395 4.515 4.120 -0.000 0.000 0.290 72 V C 0.019 175.861 176.094 -0.419 0.000 1.017 72 V CA -0.812 61.335 62.300 -0.255 0.000 0.841 72 V CB 0.973 32.667 31.823 -0.215 0.000 1.003 72 V HN 0.649 nan 8.190 nan 0.000 0.426 73 I N 0.580 120.853 120.570 -0.495 0.000 2.740 73 I HA 0.744 4.914 4.170 -0.000 0.000 0.303 73 I C -1.492 174.258 176.117 -0.613 0.000 1.044 73 I CA -0.770 60.261 61.300 -0.448 0.000 1.064 73 I CB 2.502 40.390 38.000 -0.187 0.000 1.249 73 I HN 0.315 nan 8.210 nan 0.000 0.433 74 F N 4.390 124.341 119.950 0.003 0.000 2.467 74 F HA 0.705 5.232 4.527 0.000 0.000 0.336 74 F C -0.210 175.600 175.800 0.016 0.000 1.123 74 F CA -0.548 57.453 58.000 0.002 0.000 0.964 74 F CB 1.713 40.731 39.000 0.030 0.000 1.136 74 F HN 0.234 nan 8.300 nan 0.000 0.447 75 L N 2.333 123.647 121.223 0.152 0.000 2.327 75 L HA 0.524 4.864 4.340 -0.000 0.000 0.258 75 L C -0.461 176.443 176.870 0.057 0.000 1.024 75 L CA -1.100 53.791 54.840 0.085 0.000 0.825 75 L CB 2.421 44.505 42.059 0.041 0.000 1.386 75 L HN 0.537 nan 8.230 nan 0.000 0.417 76 Q N -0.325 119.496 119.800 0.034 0.000 2.185 76 Q HA 0.489 4.829 4.340 -0.000 0.000 0.225 76 Q C 0.647 176.634 176.000 -0.023 0.000 0.983 76 Q CA 0.297 56.103 55.803 0.005 0.000 0.950 76 Q CB 1.382 30.124 28.738 0.006 0.000 1.176 76 Q HN 0.913 nan 8.270 nan 0.000 0.510 77 G N -0.656 108.122 108.800 -0.037 0.000 2.194 77 G HA2 -0.119 3.840 3.960 -0.000 0.000 0.236 77 G HA3 -0.119 3.840 3.960 -0.000 0.000 0.236 77 G C 0.462 175.303 174.900 -0.097 0.000 0.987 77 G CA -0.103 44.963 45.100 -0.057 0.000 0.635 77 G HN 1.308 nan 8.290 nan 0.000 0.520 78 G N -1.286 107.450 108.800 -0.105 0.000 2.782 78 G HA2 0.303 4.263 3.960 -0.000 0.000 0.228 78 G HA3 0.303 4.263 3.960 -0.000 0.000 0.228 78 G C 1.526 176.299 174.900 -0.212 0.000 1.372 78 G CA 0.786 45.799 45.100 -0.145 0.000 0.862 78 G HN 1.821 nan 8.290 nan 0.000 0.547 79 G N -1.059 107.599 108.800 -0.237 0.000 2.476 79 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 79 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 79 G C 2.104 176.599 174.900 -0.676 0.000 1.164 79 G CA 2.596 47.542 45.100 -0.258 0.000 0.768 79 G HN 1.392 nan 8.290 nan 0.000 0.560 80 C N 0.838 119.661 119.300 -0.796 0.000 2.422 80 C HA 0.069 4.529 4.460 -0.000 0.000 0.279 80 C C 3.219 177.997 174.990 -0.354 0.000 1.305 80 C CA 0.574 59.082 59.018 -0.850 0.000 1.757 80 C CB -1.218 26.305 27.740 -0.363 0.000 1.962 80 C HN 0.543 nan 8.230 nan 0.000 0.499 81 G N -0.374 108.273 108.800 -0.255 0.000 2.446 81 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.217 81 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.217 81 G C 1.556 176.357 174.900 -0.164 0.000 1.168 81 G CA 0.733 45.745 45.100 -0.147 0.000 0.771 81 G HN 0.509 nan 8.290 nan 0.000 0.551 82 Q N -0.106 119.503 119.800 -0.317 0.000 2.291 82 Q HA 0.007 4.347 4.340 -0.000 0.000 0.205 82 Q C 2.252 178.195 176.000 -0.095 0.000 0.970 82 Q CA 0.375 55.908 55.803 -0.449 0.000 0.876 82 Q CB -0.419 27.526 28.738 -1.322 0.000 0.935 82 Q HN 0.519 nan 8.270 nan 0.000 0.455 83 F N 0.366 120.235 119.950 -0.136 0.000 2.202 83 F HA -0.119 4.408 4.527 0.000 0.000 0.301 83 F C 2.300 178.129 175.800 0.049 0.000 1.082 83 F CA 0.736 58.764 58.000 0.046 0.000 1.313 83 F CB -0.699 38.375 39.000 0.123 0.000 1.024 83 F HN -0.018 nan 8.300 nan 0.000 0.495 84 S N -0.443 115.362 115.700 0.175 0.000 2.412 84 S HA 0.136 4.606 4.470 -0.000 0.000 0.223 84 S C 2.338 176.753 174.600 -0.308 0.000 1.048 84 S CA 0.562 58.745 58.200 -0.028 0.000 0.954 84 S CB -0.483 62.760 63.200 0.071 0.000 0.840 84 S HN 0.261 nan 8.310 nan 0.000 0.503 85 A N 1.609 124.303 122.820 -0.209 0.000 1.940 85 A HA -0.081 4.239 4.320 -0.000 0.000 0.219 85 A C 2.262 179.653 177.584 -0.321 0.000 1.176 85 A CA 1.592 53.457 52.037 -0.287 0.000 0.631 85 A CB -1.065 17.829 19.000 -0.177 0.000 0.814 85 A HN 0.307 nan 8.150 nan 0.000 0.446 86 V N 1.099 120.929 119.914 -0.140 0.000 2.220 86 V HA -0.196 3.924 4.120 -0.000 0.000 0.246 86 V C 0.012 176.003 176.094 -0.171 0.000 1.049 86 V CA 2.668 64.914 62.300 -0.090 0.000 1.003 86 V CB -1.564 30.299 31.823 0.066 0.000 0.634 86 V HN 0.455 nan 8.190 nan 0.000 0.444 87 P HA -0.147 nan 4.420 nan 0.000 0.216 87 P C 1.966 179.166 177.300 -0.168 0.000 1.150 87 P CA 1.548 64.686 63.100 0.064 0.000 0.837 87 P CB -0.072 31.716 31.700 0.148 0.000 0.786 88 L N -0.503 120.438 121.223 -0.469 0.000 2.083 88 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 88 L C 2.400 179.102 176.870 -0.279 0.000 1.083 88 L CA 1.361 55.932 54.840 -0.449 0.000 0.752 88 L CB -0.743 40.985 42.059 -0.551 0.000 0.899 88 L HN 0.009 nan 8.230 nan 0.000 0.433 89 N N -0.546 117.942 118.700 -0.353 0.000 2.354 89 N HA -0.013 4.727 4.740 -0.000 0.000 0.179 89 N C 1.528 176.991 175.510 -0.078 0.000 1.021 89 N CA 1.100 53.959 53.050 -0.319 0.000 0.887 89 N CB 0.479 38.520 38.487 -0.744 0.000 0.974 89 N HN 0.364 nan 8.380 nan 0.000 0.437 90 L N -0.702 120.500 121.223 -0.035 0.000 3.076 90 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 90 L C 1.750 178.752 176.870 0.221 0.000 1.152 90 L CA 0.011 54.896 54.840 0.074 0.000 0.996 90 L CB 0.462 42.493 42.059 -0.046 0.000 1.453 90 L HN -0.109 nan 8.230 nan 0.000 0.571 91 I N 1.129 121.864 120.570 0.274 0.000 2.454 91 I HA -0.156 4.014 4.170 -0.000 0.000 0.254 91 I C 2.055 178.259 176.117 0.145 0.000 1.156 91 I CA 1.507 62.978 61.300 0.285 0.000 1.433 91 I CB 0.116 38.268 38.000 0.253 0.000 1.082 91 I HN 0.252 nan 8.210 nan 0.000 0.432 92 G N 0.164 109.037 108.800 0.122 0.000 2.848 92 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.208 92 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.208 92 G C 1.421 176.360 174.900 0.066 0.000 1.152 92 G CA 0.305 45.467 45.100 0.104 0.000 0.789 92 G HN 0.410 nan 8.290 nan 0.000 0.531 93 L N -0.197 121.007 121.223 -0.032 0.000 2.012 93 L HA 0.160 4.500 4.340 -0.000 0.000 0.210 93 L C 1.098 177.839 176.870 -0.215 0.000 1.073 93 L CA 1.545 56.179 54.840 -0.343 0.000 0.748 93 L CB -0.024 41.798 42.059 -0.395 0.000 0.891 93 L HN -0.013 nan 8.230 nan 0.000 0.431 94 K N -1.306 119.043 120.400 -0.085 0.000 2.164 94 K HA 0.454 4.774 4.320 -0.000 0.000 0.258 94 K C 0.896 177.496 176.600 -0.000 0.000 0.951 94 K CA 0.166 56.428 56.287 -0.041 0.000 0.844 94 K CB 1.610 34.088 32.500 -0.036 0.000 1.099 94 K HN 0.069 nan 8.250 nan 0.000 0.435 95 A N 2.356 125.184 122.820 0.012 0.000 2.070 95 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 95 A C 1.959 179.556 177.584 0.021 0.000 1.159 95 A CA 1.938 53.990 52.037 0.025 0.000 0.656 95 A CB -0.866 18.151 19.000 0.028 0.000 0.800 95 A HN 0.965 nan 8.150 nan 0.000 0.453 96 G N -0.897 107.909 108.800 0.011 0.000 2.462 96 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.220 96 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.220 96 G C 0.865 175.771 174.900 0.011 0.000 1.121 96 G CA 0.548 45.652 45.100 0.007 0.000 0.758 96 G HN 0.574 nan 8.290 nan 0.000 0.559 97 R N -1.540 118.970 120.500 0.017 0.000 3.267 97 R HA -0.149 4.191 4.340 -0.000 0.000 0.254 97 R C -0.745 175.559 176.300 0.007 0.000 0.993 97 R CA 0.523 56.641 56.100 0.030 0.000 0.670 97 R CB -2.842 27.488 30.300 0.049 0.000 1.125 97 R HN 0.392 nan 8.270 nan 0.000 0.434 98 C N -0.061 119.223 119.300 -0.027 0.000 2.493 98 C HA 0.911 5.371 4.460 -0.000 0.000 0.326 98 C C 0.669 175.565 174.990 -0.156 0.000 1.200 98 C CA -0.500 58.480 59.018 -0.063 0.000 1.739 98 C CB 1.932 29.642 27.740 -0.050 0.000 2.300 98 C HN 0.644 nan 8.230 nan 0.000 0.500 99 A N 1.639 124.350 122.820 -0.182 0.000 2.414 99 A HA 0.733 5.053 4.320 -0.000 0.000 0.306 99 A C -1.349 176.192 177.584 -0.073 0.000 1.054 99 A CA -0.382 51.451 52.037 -0.339 0.000 0.724 99 A CB 0.797 19.466 19.000 -0.552 0.000 1.267 99 A HN 0.828 nan 8.150 nan 0.000 0.418 100 D N 0.664 121.012 120.400 -0.087 0.000 2.210 100 D HA 0.508 5.148 4.640 -0.000 0.000 0.249 100 D C -1.242 175.099 176.300 0.068 0.000 1.078 100 D CA 0.855 54.862 54.000 0.012 0.000 0.875 100 D CB 0.890 41.676 40.800 -0.022 0.000 1.175 100 D HN 0.442 nan 8.370 nan 0.000 0.440 101 Y N 0.006 120.250 120.300 -0.094 0.000 2.425 101 Y HA 0.363 4.913 4.550 -0.000 0.000 0.344 101 Y C -0.189 175.647 175.900 -0.107 0.000 0.969 101 Y CA -1.061 57.023 58.100 -0.026 0.000 1.052 101 Y CB 1.947 40.367 38.460 -0.067 0.000 1.215 101 Y HN 0.016 nan 8.280 nan 0.000 0.451 102 V N 4.685 124.648 119.914 0.082 0.000 2.350 102 V HA 0.318 4.438 4.120 -0.000 0.000 0.276 102 V C -0.546 175.773 176.094 0.376 0.000 1.028 102 V CA -0.797 61.569 62.300 0.111 0.000 0.860 102 V CB 1.091 32.860 31.823 -0.090 0.000 0.990 102 V HN 0.483 nan 8.190 nan 0.000 0.453 103 V N 5.005 125.252 119.914 0.556 0.000 2.293 103 V HA 0.298 4.418 4.120 -0.000 0.000 0.275 103 V C 0.992 177.308 176.094 0.370 0.000 1.021 103 V CA 0.143 62.673 62.300 0.383 0.000 0.815 103 V CB 1.371 33.358 31.823 0.272 0.000 1.025 103 V HN 1.048 nan 8.190 nan 0.000 0.448 104 T N 0.168 114.853 114.554 0.219 0.000 3.044 104 T HA 0.591 4.941 4.350 -0.000 0.000 0.260 104 T C 0.629 175.194 174.700 -0.225 0.000 1.019 104 T CA 0.344 62.527 62.100 0.139 0.000 0.921 104 T CB 0.737 69.739 68.868 0.222 0.000 1.053 104 T HN 0.943 nan 8.240 nan 0.000 0.533 105 G N -0.016 108.387 108.800 -0.662 0.000 2.341 105 G HA2 0.525 4.485 3.960 -0.000 0.000 0.299 105 G HA3 0.525 4.485 3.960 -0.000 0.000 0.299 105 G C 0.677 175.105 174.900 -0.787 0.000 1.274 105 G CA -0.094 44.224 45.100 -1.304 0.000 0.853 105 G HN 0.237 nan 8.290 nan 0.000 0.493 106 A N -0.818 121.778 122.820 -0.374 0.000 1.884 106 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 106 A C 2.069 179.501 177.584 -0.254 0.000 1.197 106 A CA 2.418 54.297 52.037 -0.262 0.000 0.637 106 A CB -0.931 17.827 19.000 -0.403 0.000 0.827 106 A HN 0.760 nan 8.150 nan 0.000 0.450 107 W N 0.625 121.986 121.300 0.102 0.000 2.407 107 W HA -0.110 4.550 4.660 -0.000 0.000 0.305 107 W C 2.995 179.580 176.519 0.110 0.000 1.196 107 W CA 1.516 58.993 57.345 0.221 0.000 1.311 107 W CB -0.443 29.197 29.460 0.300 0.000 1.135 107 W HN 0.472 nan 8.180 nan 0.000 0.514 108 S N 0.525 116.405 115.700 0.300 0.000 2.382 108 S HA -0.158 4.312 4.470 -0.000 0.000 0.228 108 S C 1.965 176.609 174.600 0.075 0.000 1.027 108 S CA 1.163 59.504 58.200 0.235 0.000 0.991 108 S CB -1.135 62.255 63.200 0.317 0.000 0.823 108 S HN 0.183 nan 8.310 nan 0.000 0.469 109 A N 2.617 125.455 122.820 0.030 0.000 1.883 109 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 109 A C 2.293 179.852 177.584 -0.042 0.000 1.186 109 A CA 1.724 53.761 52.037 -0.000 0.000 0.624 109 A CB -0.668 18.345 19.000 0.023 0.000 0.822 109 A HN 0.537 nan 8.150 nan 0.000 0.444 110 K N -0.563 119.837 120.400 -0.001 0.000 2.026 110 K HA -0.119 4.201 4.320 -0.000 0.000 0.208 110 K C 2.401 178.933 176.600 -0.113 0.000 1.048 110 K CA 1.167 57.494 56.287 0.067 0.000 0.929 110 K CB -0.405 32.316 32.500 0.367 0.000 0.713 110 K HN 0.457 nan 8.250 nan 0.000 0.439 111 A N 1.663 124.151 122.820 -0.555 0.000 1.873 111 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 111 A C 2.414 179.657 177.584 -0.568 0.000 1.193 111 A CA 2.240 53.715 52.037 -0.937 0.000 0.629 111 A CB -0.851 17.447 19.000 -1.170 0.000 0.826 111 A HN 0.374 nan 8.150 nan 0.000 0.447 112 A N -0.676 121.816 122.820 -0.547 0.000 1.908 112 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 112 A C 1.985 179.262 177.584 -0.511 0.000 1.181 112 A CA 2.277 53.805 52.037 -0.848 0.000 0.627 112 A CB -0.523 18.191 19.000 -0.477 0.000 0.818 112 A HN 0.565 nan 8.150 nan 0.000 0.445 113 E N -0.185 119.852 120.200 -0.272 0.000 2.106 113 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 113 E C 1.924 178.449 176.600 -0.124 0.000 0.984 113 E CA 1.591 57.893 56.400 -0.163 0.000 0.806 113 E CB -0.184 29.468 29.700 -0.080 0.000 0.750 113 E HN 0.630 nan 8.360 nan 0.000 0.458 114 E N -0.169 119.989 120.200 -0.070 0.000 2.106 114 E HA -0.063 4.287 4.350 -0.000 0.000 0.192 114 E C 1.731 178.365 176.600 0.057 0.000 0.984 114 E CA 1.330 57.756 56.400 0.044 0.000 0.806 114 E CB -0.423 29.405 29.700 0.215 0.000 0.750 114 E HN 0.283 nan 8.360 nan 0.000 0.458 115 A N 0.564 123.372 122.820 -0.020 0.000 2.121 115 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 115 A C 1.844 179.433 177.584 0.008 0.000 1.154 115 A CA 1.216 53.310 52.037 0.094 0.000 0.679 115 A CB -0.392 18.519 19.000 -0.149 0.000 0.795 115 A HN 0.180 nan 8.150 nan 0.000 0.458 116 K N -0.135 120.184 120.400 -0.135 0.000 2.283 116 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 116 K C 1.541 178.017 176.600 -0.205 0.000 1.048 116 K CA 1.274 57.471 56.287 -0.150 0.000 0.948 116 K CB -0.078 32.331 32.500 -0.152 0.000 0.742 116 K HN 0.435 nan 8.250 nan 0.000 0.458 117 K N -0.401 119.769 120.400 -0.383 0.000 2.365 117 K HA -0.061 4.259 4.320 -0.000 0.000 0.199 117 K C 0.809 176.937 176.600 -0.786 0.000 1.045 117 K CA 0.987 56.855 56.287 -0.698 0.000 0.962 117 K CB 0.172 32.029 32.500 -1.072 0.000 0.759 117 K HN 0.109 nan 8.250 nan 0.000 0.469 118 F N -1.444 118.500 119.950 -0.011 0.000 2.784 118 F HA 0.337 4.864 4.527 -0.000 0.000 0.323 118 F C 0.909 176.714 175.800 0.008 0.000 1.085 118 F CA -0.524 57.480 58.000 0.008 0.000 1.196 118 F CB 1.244 40.263 39.000 0.031 0.000 1.053 118 F HN -0.077 nan 8.300 nan 0.000 0.578 119 G N -0.449 108.420 108.800 0.115 0.000 2.488 119 G HA2 0.396 4.356 3.960 -0.000 0.000 0.301 119 G HA3 0.396 4.356 3.960 -0.000 0.000 0.301 119 G C -1.404 173.493 174.900 -0.006 0.000 1.339 119 G CA -0.721 44.415 45.100 0.059 0.000 0.803 119 G HN -0.250 nan 8.290 nan 0.000 0.482 120 T N 1.802 116.346 114.554 -0.017 0.000 2.737 120 T HA 0.466 4.816 4.350 -0.000 0.000 0.296 120 T C 0.093 174.757 174.700 -0.060 0.000 0.922 120 T CA 0.005 62.080 62.100 -0.042 0.000 1.079 120 T CB 0.467 69.315 68.868 -0.033 0.000 0.892 120 T HN 0.300 nan 8.240 nan 0.000 0.514 121 I N 3.990 124.504 120.570 -0.093 0.000 2.339 121 I HA 0.367 4.537 4.170 -0.000 0.000 0.290 121 I C 0.252 176.307 176.117 -0.103 0.000 0.994 121 I CA -0.995 60.228 61.300 -0.128 0.000 1.191 121 I CB 1.102 38.938 38.000 -0.272 0.000 1.343 121 I HN 0.530 nan 8.210 nan 0.000 0.458 122 N N 6.570 125.233 118.700 -0.062 0.000 2.372 122 N HA 0.480 5.220 4.740 -0.000 0.000 0.291 122 N C -0.937 174.536 175.510 -0.062 0.000 1.024 122 N CA -0.424 52.590 53.050 -0.060 0.000 0.873 122 N CB 1.343 39.804 38.487 -0.043 0.000 1.206 122 N HN 0.452 nan 8.380 nan 0.000 0.486 123 I N 3.881 124.383 120.570 -0.112 0.000 2.312 123 I HA 0.098 4.268 4.170 -0.000 0.000 0.291 123 I C 1.236 177.192 176.117 -0.269 0.000 1.031 123 I CA -0.575 60.605 61.300 -0.199 0.000 1.293 123 I CB 1.361 39.220 38.000 -0.234 0.000 1.403 123 I HN 0.429 nan 8.210 nan 0.000 0.484 124 V N 5.495 125.218 119.914 -0.319 0.000 2.594 124 V HA -0.199 3.921 4.120 -0.000 0.000 0.253 124 V C 0.666 176.697 176.094 -0.104 0.000 1.069 124 V CA 1.421 63.597 62.300 -0.207 0.000 1.082 124 V CB -1.523 30.133 31.823 -0.278 0.000 0.680 124 V HN 0.857 nan 8.190 nan 0.000 0.469 125 H N -2.154 116.887 119.070 -0.047 0.000 2.737 125 H HA 0.684 5.240 4.556 -0.000 0.000 0.358 125 H C -2.863 172.494 175.328 0.048 0.000 1.187 125 H CA -3.055 53.027 56.048 0.057 0.000 1.221 125 H CB -0.280 29.541 29.762 0.099 0.000 1.799 125 H HN -0.117 nan 8.280 nan 0.000 0.568 126 P HA 0.089 nan 4.420 nan 0.000 0.269 126 P C -0.745 176.689 177.300 0.223 0.000 1.209 126 P CA -0.385 62.797 63.100 0.137 0.000 0.776 126 P CB 0.577 32.348 31.700 0.118 0.000 0.876 127 K N 2.195 122.663 120.400 0.114 0.000 2.416 127 K HA 0.123 4.443 4.320 -0.000 0.000 0.283 127 K C 0.048 176.701 176.600 0.088 0.000 1.037 127 K CA -0.396 55.965 56.287 0.124 0.000 0.995 127 K CB 0.037 32.562 32.500 0.042 0.000 0.938 127 K HN 0.322 nan 8.250 nan 0.000 0.475 128 L N 2.779 124.057 121.223 0.092 0.000 2.525 128 L HA -0.050 4.290 4.340 -0.000 0.000 0.278 128 L C 1.811 178.589 176.870 -0.153 0.000 1.218 128 L CA 0.873 55.692 54.840 -0.034 0.000 0.878 128 L CB 0.176 42.197 42.059 -0.062 0.000 1.127 128 L HN 0.943 nan 8.230 nan 0.000 0.492 129 G N 2.413 111.143 108.800 -0.117 0.000 2.443 129 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.219 129 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.219 129 G C 0.474 175.248 174.900 -0.210 0.000 1.131 129 G CA 0.892 45.913 45.100 -0.132 0.000 0.775 129 G HN 0.690 nan 8.290 nan 0.000 0.547 130 S N -1.680 113.871 115.700 -0.248 0.000 2.535 130 S HA 0.426 4.896 4.470 -0.000 0.000 0.272 130 S C -1.220 173.228 174.600 -0.253 0.000 1.149 130 S CA -0.946 57.081 58.200 -0.288 0.000 0.888 130 S CB 0.914 64.047 63.200 -0.112 0.000 1.110 130 S HN 0.061 nan 8.310 nan 0.000 0.463 131 Y N 2.701 122.940 120.300 -0.102 0.000 2.530 131 Y HA 0.327 4.877 4.550 -0.000 0.000 0.340 131 Y C 1.752 177.641 175.900 -0.018 0.000 1.247 131 Y CA -0.014 58.008 58.100 -0.129 0.000 1.727 131 Y CB -0.486 37.715 38.460 -0.432 0.000 1.613 131 Y HN 0.942 nan 8.280 nan 0.000 0.464 132 T N -1.892 112.735 114.554 0.123 0.000 3.144 132 T HA 0.328 4.678 4.350 -0.000 0.000 0.290 132 T C -0.074 174.665 174.700 0.066 0.000 0.966 132 T CA -0.583 61.575 62.100 0.096 0.000 0.907 132 T CB -0.053 68.850 68.868 0.060 0.000 1.152 132 T HN 0.496 nan 8.240 nan 0.000 0.532 133 K N 0.328 120.767 120.400 0.064 0.000 2.685 133 K HA 0.568 4.888 4.320 -0.000 0.000 0.290 133 K C -1.940 174.662 176.600 0.004 0.000 1.018 133 K CA -1.160 55.141 56.287 0.022 0.000 0.860 133 K CB 0.451 32.955 32.500 0.006 0.000 1.498 133 K HN 0.049 nan 8.250 nan 0.000 0.390 134 I N 2.147 122.688 120.570 -0.049 0.000 2.312 134 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 134 I C -2.107 174.016 176.117 0.011 0.000 1.031 134 I CA -2.289 58.965 61.300 -0.076 0.000 1.293 134 I CB 1.092 38.932 38.000 -0.267 0.000 1.403 134 I HN 0.437 nan 8.210 nan 0.000 0.484 135 P HA 0.026 nan 4.420 nan 0.000 0.267 135 P C -0.557 176.879 177.300 0.225 0.000 1.209 135 P CA -0.225 62.926 63.100 0.085 0.000 0.763 135 P CB 0.315 32.001 31.700 -0.022 0.000 0.816 136 D N 4.989 125.420 120.400 0.052 0.000 2.583 136 D HA -0.069 4.571 4.640 -0.000 0.000 0.232 136 D C -1.286 174.793 176.300 -0.368 0.000 1.128 136 D CA -0.810 53.122 54.000 -0.113 0.000 0.859 136 D CB 0.472 41.203 40.800 -0.115 0.000 1.169 136 D HN 0.232 nan 8.370 nan 0.000 0.481 137 P HA -0.087 nan 4.420 nan 0.000 0.225 137 P C 0.919 177.697 177.300 -0.870 0.000 1.156 137 P CA 0.670 62.752 63.100 -1.697 0.000 0.787 137 P CB 0.034 30.924 31.700 -1.350 0.000 0.802 138 S N -1.092 114.347 115.700 -0.434 0.000 2.461 138 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 138 S C 1.839 176.390 174.600 -0.082 0.000 1.005 138 S CA 1.429 59.504 58.200 -0.209 0.000 0.942 138 S CB -1.952 61.154 63.200 -0.156 0.000 0.776 138 S HN 0.277 nan 8.310 nan 0.000 0.514 139 T N -2.313 112.206 114.554 -0.058 0.000 3.113 139 T HA 0.044 4.394 4.350 -0.000 0.000 0.263 139 T C 0.190 175.057 174.700 0.279 0.000 1.143 139 T CA -0.363 61.795 62.100 0.097 0.000 1.090 139 T CB -0.631 68.309 68.868 0.121 0.000 0.922 139 T HN 0.394 nan 8.240 nan 0.000 0.521 140 W N 3.032 124.382 121.300 0.084 0.000 2.210 140 W HA 0.434 5.094 4.660 -0.000 0.000 0.330 140 W C 0.519 177.083 176.519 0.076 0.000 1.334 140 W CA -1.708 55.704 57.345 0.111 0.000 1.227 140 W CB -0.522 29.015 29.460 0.127 0.000 1.178 140 W HN 0.161 nan 8.180 nan 0.000 0.560 141 N N 3.812 122.681 118.700 0.281 0.000 2.918 141 N HA 0.209 4.949 4.740 -0.000 0.000 0.247 141 N C -0.866 174.718 175.510 0.124 0.000 1.117 141 N CA -0.031 53.115 53.050 0.159 0.000 1.005 141 N CB -0.247 38.301 38.487 0.101 0.000 1.297 141 N HN 0.288 nan 8.380 nan 0.000 0.513 142 L N 1.464 122.776 121.223 0.148 0.000 2.397 142 L HA 0.262 4.602 4.340 -0.000 0.000 0.271 142 L C 0.622 177.532 176.870 0.067 0.000 1.148 142 L CA -0.719 54.191 54.840 0.116 0.000 0.825 142 L CB 0.509 42.659 42.059 0.151 0.000 1.117 142 L HN 0.464 nan 8.230 nan 0.000 0.456 143 N N 4.306 123.031 118.700 0.040 0.000 2.426 143 N HA 0.245 4.985 4.740 -0.000 0.000 0.257 143 N C -1.693 173.830 175.510 0.021 0.000 1.002 143 N CA -1.945 51.118 53.050 0.022 0.000 0.942 143 N CB 1.310 39.798 38.487 0.003 0.000 1.112 143 N HN 0.242 nan 8.380 nan 0.000 0.499 144 P HA -0.011 nan 4.420 nan 0.000 0.223 144 P C -0.337 176.969 177.300 0.009 0.000 1.151 144 P CA 0.965 64.076 63.100 0.019 0.000 0.787 144 P CB 0.450 32.161 31.700 0.019 0.000 0.788 145 D N -0.378 120.024 120.400 0.003 0.000 2.340 145 D HA 0.175 4.815 4.640 -0.000 0.000 0.217 145 D C 0.844 177.136 176.300 -0.013 0.000 1.081 145 D CA -0.001 53.997 54.000 -0.003 0.000 0.842 145 D CB 0.090 40.889 40.800 -0.002 0.000 0.934 145 D HN 0.113 nan 8.370 nan 0.000 0.511 146 A N 0.320 123.129 122.820 -0.018 0.000 2.445 146 A HA 0.182 4.502 4.320 -0.000 0.000 0.242 146 A C 1.607 179.165 177.584 -0.042 0.000 1.075 146 A CA -0.121 51.887 52.037 -0.048 0.000 0.777 146 A CB 0.686 19.647 19.000 -0.064 0.000 1.013 146 A HN 0.012 nan 8.150 nan 0.000 0.493 147 S N -0.118 115.542 115.700 -0.067 0.000 2.383 147 S HA 0.082 4.552 4.470 -0.000 0.000 0.227 147 S C 0.159 174.834 174.600 0.124 0.000 1.026 147 S CA 1.986 60.196 58.200 0.017 0.000 0.981 147 S CB -0.447 62.806 63.200 0.089 0.000 0.818 147 S HN 0.911 nan 8.310 nan 0.000 0.472 148 Y N -2.913 117.408 120.300 0.035 0.000 2.713 148 Y HA 0.683 5.233 4.550 -0.000 0.000 0.335 148 Y C -1.577 174.350 175.900 0.044 0.000 1.222 148 Y CA -1.548 56.578 58.100 0.043 0.000 1.061 148 Y CB 0.869 39.366 38.460 0.062 0.000 1.314 148 Y HN -0.279 nan 8.280 nan 0.000 0.453 149 V N 2.274 122.340 119.914 0.254 0.000 2.540 149 V HA 0.425 4.545 4.120 -0.000 0.000 0.302 149 V C -1.447 174.774 176.094 0.212 0.000 1.035 149 V CA -0.772 61.604 62.300 0.128 0.000 0.873 149 V CB 1.616 33.504 31.823 0.108 0.000 0.992 149 V HN 0.829 nan 8.190 nan 0.000 0.428 150 Y N 6.219 126.429 120.300 -0.151 0.000 2.409 150 Y HA 0.772 5.322 4.550 -0.000 0.000 0.343 150 Y C -0.809 175.018 175.900 -0.122 0.000 0.973 150 Y CA -0.761 57.187 58.100 -0.252 0.000 1.064 150 Y CB 1.719 39.599 38.460 -0.965 0.000 1.207 150 Y HN 0.733 nan 8.280 nan 0.000 0.452 151 Y N 2.739 122.730 120.300 -0.515 0.000 2.655 151 Y HA 0.633 5.183 4.550 -0.000 0.000 0.336 151 Y C -1.728 173.906 175.900 -0.444 0.000 1.154 151 Y CA -1.902 56.005 58.100 -0.323 0.000 1.055 151 Y CB 1.048 39.263 38.460 -0.408 0.000 1.295 151 Y HN 0.737 nan 8.280 nan 0.000 0.465 152 C N 3.163 122.385 119.300 -0.131 0.000 2.271 152 C HA 0.762 5.222 4.460 -0.000 0.000 0.323 152 C C 1.507 176.471 174.990 -0.042 0.000 1.245 152 C CA 0.228 59.154 59.018 -0.153 0.000 1.548 152 C CB -0.546 27.296 27.740 0.170 0.000 2.214 152 C HN 1.110 nan 8.230 nan 0.000 0.477 153 A N 5.020 127.654 122.820 -0.311 0.000 1.892 153 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 153 A C 0.948 178.685 177.584 0.256 0.000 1.188 153 A CA 1.970 53.988 52.037 -0.032 0.000 0.631 153 A CB -0.371 18.525 19.000 -0.174 0.000 0.822 153 A HN 0.918 nan 8.150 nan 0.000 0.447 154 N N 0.088 118.883 118.700 0.158 0.000 2.519 154 N HA 0.223 4.963 4.740 -0.000 0.000 0.286 154 N C -1.582 174.062 175.510 0.223 0.000 1.079 154 N CA -0.338 52.831 53.050 0.198 0.000 0.878 154 N CB 1.011 39.589 38.487 0.151 0.000 1.375 154 N HN 0.073 nan 8.380 nan 0.000 0.514 155 E N 2.610 122.972 120.200 0.269 0.000 1.932 155 E HA 0.081 4.431 4.350 -0.000 0.000 0.275 155 E C 0.581 177.365 176.600 0.306 0.000 1.159 155 E CA 0.055 56.652 56.400 0.329 0.000 0.905 155 E CB 0.602 30.479 29.700 0.295 0.000 1.059 155 E HN 0.660 nan 8.360 nan 0.000 0.400 156 T N 0.469 115.242 114.554 0.366 0.000 2.803 156 T HA -0.118 4.232 4.350 -0.000 0.000 0.269 156 T C 1.776 176.588 174.700 0.187 0.000 1.052 156 T CA 0.757 63.034 62.100 0.294 0.000 1.136 156 T CB 0.188 69.273 68.868 0.363 0.000 0.864 156 T HN 0.179 nan 8.240 nan 0.000 0.467 157 V N 0.584 120.540 119.914 0.070 0.000 2.685 157 V HA 0.002 4.122 4.120 -0.000 0.000 0.244 157 V C 1.989 177.864 176.094 -0.365 0.000 1.054 157 V CA 0.916 63.058 62.300 -0.264 0.000 1.076 157 V CB -0.344 31.076 31.823 -0.672 0.000 0.725 157 V HN 0.581 nan 8.190 nan 0.000 0.467 158 H N -0.099 119.027 119.070 0.094 0.000 2.586 158 H HA 0.299 4.855 4.556 -0.000 0.000 0.273 158 H C 1.838 177.250 175.328 0.140 0.000 0.997 158 H CA 0.781 56.902 56.048 0.121 0.000 1.177 158 H CB 0.539 30.383 29.762 0.137 0.000 1.471 158 H HN 0.467 nan 8.280 nan 0.000 0.538 159 G N 1.683 110.615 108.800 0.219 0.000 2.246 159 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.273 159 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.273 159 G C -0.126 174.896 174.900 0.203 0.000 1.055 159 G CA 0.403 45.626 45.100 0.205 0.000 0.851 159 G HN 0.229 nan 8.290 nan 0.000 0.500 160 V N 0.065 120.103 119.914 0.206 0.000 2.378 160 V HA 0.663 4.783 4.120 -0.000 0.000 0.288 160 V C 0.191 176.390 176.094 0.175 0.000 1.016 160 V CA -0.604 61.793 62.300 0.163 0.000 0.840 160 V CB 1.818 33.734 31.823 0.155 0.000 0.994 160 V HN 0.450 nan 8.190 nan 0.000 0.431 161 E N 3.573 123.858 120.200 0.141 0.000 2.234 161 E HA 0.520 4.870 4.350 -0.000 0.000 0.266 161 E C -1.382 175.313 176.600 0.159 0.000 0.877 161 E CA -0.748 55.771 56.400 0.198 0.000 0.758 161 E CB 1.635 31.443 29.700 0.180 0.000 1.170 161 E HN 0.507 nan 8.360 nan 0.000 0.415 162 F N 2.864 122.865 119.950 0.084 0.000 2.495 162 F HA 0.063 4.590 4.527 -0.000 0.000 0.365 162 F C 1.199 177.007 175.800 0.014 0.000 1.090 162 F CA 0.094 58.066 58.000 -0.047 0.000 1.235 162 F CB 0.754 39.644 39.000 -0.184 0.000 1.119 162 F HN 0.445 nan 8.300 nan 0.000 0.562 163 D N 3.704 124.274 120.400 0.283 0.000 2.670 163 D HA 0.163 4.803 4.640 -0.000 0.000 0.255 163 D C -0.616 175.922 176.300 0.398 0.000 1.286 163 D CA -0.051 54.123 54.000 0.289 0.000 0.830 163 D CB -0.416 40.521 40.800 0.227 0.000 1.065 163 D HN 0.308 nan 8.370 nan 0.000 0.486 164 F N -2.222 117.850 119.950 0.203 0.000 2.858 164 F HA 0.542 5.069 4.527 -0.000 0.000 0.319 164 F C -1.895 174.019 175.800 0.190 0.000 1.166 164 F CA -1.562 56.525 58.000 0.145 0.000 0.899 164 F CB 0.853 39.899 39.000 0.078 0.000 1.332 164 F HN -0.273 nan 8.300 nan 0.000 0.461 165 I N 3.196 123.880 120.570 0.191 0.000 2.339 165 I HA 0.387 4.557 4.170 -0.000 0.000 0.290 165 I C -2.242 173.926 176.117 0.086 0.000 0.994 165 I CA -2.030 59.271 61.300 0.002 0.000 1.191 165 I CB 1.729 39.698 38.000 -0.052 0.000 1.343 165 I HN 0.349 nan 8.210 nan 0.000 0.458 166 P HA 0.005 nan 4.420 nan 0.000 0.268 166 P C -0.810 176.500 177.300 0.017 0.000 1.204 166 P CA -0.142 62.999 63.100 0.068 0.000 0.768 166 P CB 0.757 32.464 31.700 0.012 0.000 0.842 167 D N 2.719 123.120 120.400 0.001 0.000 2.352 167 D HA 0.084 4.724 4.640 -0.000 0.000 0.245 167 D C 0.550 176.875 176.300 0.042 0.000 1.224 167 D CA -0.343 53.652 54.000 -0.009 0.000 0.879 167 D CB 0.203 40.978 40.800 -0.042 0.000 1.057 167 D HN 0.100 nan 8.370 nan 0.000 0.491 168 V N 1.120 121.072 119.914 0.063 0.000 2.933 168 V HA 0.342 4.462 4.120 -0.000 0.000 0.374 168 V C 0.634 176.775 176.094 0.079 0.000 1.321 168 V CA -0.754 61.617 62.300 0.119 0.000 1.290 168 V CB -0.460 31.449 31.823 0.144 0.000 1.346 168 V HN 0.503 nan 8.190 nan 0.000 0.560 169 K N 1.416 121.846 120.400 0.051 0.000 3.048 169 K HA -0.195 4.125 4.320 -0.000 0.000 0.274 169 K C 1.266 177.884 176.600 0.029 0.000 1.098 169 K CA 1.420 57.729 56.287 0.036 0.000 0.807 169 K CB -1.748 30.779 32.500 0.046 0.000 1.217 169 K HN 1.776 nan 8.250 nan 0.000 0.477 170 G N -2.725 106.090 108.800 0.025 0.000 2.159 170 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.227 170 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.227 170 G C 0.322 175.239 174.900 0.029 0.000 0.986 170 G CA 0.290 45.402 45.100 0.020 0.000 0.651 170 G HN 0.933 nan 8.290 nan 0.000 0.523 171 A N -0.193 122.653 122.820 0.044 0.000 2.406 171 A HA 0.635 4.955 4.320 -0.000 0.000 0.243 171 A C 0.998 178.624 177.584 0.069 0.000 1.082 171 A CA 0.444 52.516 52.037 0.058 0.000 0.786 171 A CB 0.573 19.619 19.000 0.077 0.000 1.029 171 A HN 1.231 nan 8.150 nan 0.000 0.495 172 V N 1.859 121.827 119.914 0.090 0.000 2.485 172 V HA 0.085 4.205 4.120 -0.000 0.000 0.287 172 V C 0.162 176.352 176.094 0.160 0.000 1.022 172 V CA 0.245 62.614 62.300 0.115 0.000 1.067 172 V CB 0.238 32.136 31.823 0.125 0.000 0.967 172 V HN 0.648 nan 8.190 nan 0.000 0.479 173 L N 7.363 128.670 121.223 0.141 0.000 2.295 173 L HA 0.630 4.970 4.340 -0.000 0.000 0.285 173 L C -0.302 176.696 176.870 0.214 0.000 1.035 173 L CA 0.299 55.243 54.840 0.173 0.000 0.806 173 L CB 1.689 43.794 42.059 0.077 0.000 1.214 173 L HN 0.431 nan 8.230 nan 0.000 0.426 174 V N 4.124 124.127 119.914 0.148 0.000 2.604 174 V HA 0.523 4.643 4.120 -0.000 0.000 0.305 174 V C -0.794 175.078 176.094 -0.369 0.000 1.043 174 V CA -0.635 61.646 62.300 -0.033 0.000 0.888 174 V CB 1.720 33.507 31.823 -0.060 0.000 0.995 174 V HN 0.895 nan 8.190 nan 0.000 0.429 175 C N 3.800 122.772 119.300 -0.545 0.000 2.516 175 C HA 0.511 4.971 4.460 -0.000 0.000 0.338 175 C C -0.744 173.567 174.990 -1.130 0.000 1.132 175 C CA -0.685 57.730 59.018 -1.007 0.000 1.310 175 C CB 0.763 27.932 27.740 -0.951 0.000 1.898 175 C HN 0.979 nan 8.230 nan 0.000 0.452 176 D N 4.880 124.530 120.400 -1.250 0.000 2.336 176 D HA 0.288 4.928 4.640 -0.000 0.000 0.249 176 D C 0.435 176.263 176.300 -0.786 0.000 1.213 176 D CA 0.233 53.441 54.000 -1.319 0.000 0.870 176 D CB 0.679 41.144 40.800 -0.559 0.000 1.076 176 D HN 0.690 nan 8.370 nan 0.000 0.483 177 M N 2.331 121.510 119.600 -0.702 0.000 2.496 177 M HA 0.048 4.528 4.480 -0.000 0.000 0.330 177 M C 1.609 177.796 176.300 -0.189 0.000 1.133 177 M CA -0.373 54.724 55.300 -0.339 0.000 0.964 177 M CB 0.536 33.012 32.600 -0.206 0.000 1.401 177 M HN 0.197 nan 8.290 nan 0.000 0.520 178 S N 1.342 116.883 115.700 -0.264 0.000 2.380 178 S HA -0.192 4.278 4.470 -0.000 0.000 0.229 178 S C 1.864 176.410 174.600 -0.089 0.000 1.050 178 S CA 2.417 60.502 58.200 -0.192 0.000 1.100 178 S CB -0.362 62.699 63.200 -0.232 0.000 0.984 178 S HN 0.698 nan 8.310 nan 0.000 0.434 179 S N 1.696 117.368 115.700 -0.048 0.000 2.593 179 S HA 0.071 4.541 4.470 -0.000 0.000 0.217 179 S C 0.815 175.537 174.600 0.204 0.000 0.966 179 S CA 0.474 58.731 58.200 0.095 0.000 0.914 179 S CB -0.252 63.037 63.200 0.149 0.000 0.776 179 S HN 0.675 nan 8.310 nan 0.000 0.523 180 N N -0.081 118.701 118.700 0.136 0.000 2.167 180 N HA 0.142 4.882 4.740 -0.000 0.000 0.234 180 N C -0.541 175.037 175.510 0.113 0.000 1.312 180 N CA -0.754 52.381 53.050 0.141 0.000 0.861 180 N CB -0.898 37.653 38.487 0.107 0.000 1.217 180 N HN 0.315 nan 8.380 nan 0.000 0.504 181 F N 2.939 122.862 119.950 -0.045 0.000 2.571 181 F HA 0.222 4.749 4.527 -0.000 0.000 0.384 181 F C 1.270 177.053 175.800 -0.028 0.000 1.058 181 F CA 0.156 58.110 58.000 -0.077 0.000 1.200 181 F CB 0.260 39.196 39.000 -0.107 0.000 1.077 181 F HN 0.128 nan 8.300 nan 0.000 0.558 182 L N 4.414 125.305 121.223 -0.553 0.000 3.730 182 L HA -0.299 4.041 4.340 -0.000 0.000 0.410 182 L C 0.967 177.769 176.870 -0.112 0.000 1.234 182 L CA 0.771 55.386 54.840 -0.375 0.000 0.911 182 L CB -1.736 40.108 42.059 -0.358 0.000 1.942 182 L HN 0.802 nan 8.230 nan 0.000 0.860 183 S N -1.375 114.288 115.700 -0.062 0.000 2.540 183 S HA 0.286 4.756 4.470 -0.000 0.000 0.218 183 S C 0.277 174.873 174.600 -0.008 0.000 0.977 183 S CA 0.370 58.578 58.200 0.013 0.000 0.918 183 S CB 0.435 63.675 63.200 0.067 0.000 0.806 183 S HN 0.635 nan 8.310 nan 0.000 0.496 184 K N -1.203 119.164 120.400 -0.055 0.000 2.736 184 K HA 0.453 4.773 4.320 -0.000 0.000 0.290 184 K C -3.759 172.792 176.600 -0.081 0.000 1.033 184 K CA -1.657 54.604 56.287 -0.044 0.000 0.852 184 K CB -0.313 32.184 32.500 -0.005 0.000 1.494 184 K HN -0.175 nan 8.250 nan 0.000 0.378 185 P HA 0.188 nan 4.420 nan 0.000 0.269 185 P C -1.046 176.223 177.300 -0.051 0.000 1.215 185 P CA -0.573 62.489 63.100 -0.064 0.000 0.780 185 P CB 0.690 32.370 31.700 -0.033 0.000 0.898 186 V N 1.530 121.406 119.914 -0.063 0.000 2.668 186 V HA 0.155 4.275 4.120 -0.000 0.000 0.304 186 V C -0.355 175.753 176.094 0.024 0.000 1.071 186 V CA -0.521 61.766 62.300 -0.022 0.000 0.894 186 V CB 1.867 33.617 31.823 -0.123 0.000 1.008 186 V HN 0.452 nan 8.190 nan 0.000 0.425 187 D N 3.761 124.230 120.400 0.116 0.000 2.498 187 D HA 0.124 4.764 4.640 -0.000 0.000 0.229 187 D C 1.085 177.509 176.300 0.206 0.000 1.188 187 D CA 0.188 54.255 54.000 0.111 0.000 1.028 187 D CB 1.004 41.854 40.800 0.083 0.000 1.087 187 D HN 0.260 nan 8.370 nan 0.000 0.510 188 V N 2.636 122.593 119.914 0.072 0.000 2.469 188 V HA -0.273 3.847 4.120 -0.000 0.000 0.251 188 V C 2.527 178.623 176.094 0.003 0.000 1.064 188 V CA 1.962 64.254 62.300 -0.012 0.000 1.066 188 V CB -0.842 30.747 31.823 -0.390 0.000 0.667 188 V HN 0.672 nan 8.190 nan 0.000 0.461 189 S N -0.364 115.349 115.700 0.023 0.000 2.465 189 S HA -0.189 4.281 4.470 -0.000 0.000 0.241 189 S C 1.720 176.424 174.600 0.174 0.000 1.000 189 S CA 1.006 59.314 58.200 0.181 0.000 0.964 189 S CB -0.357 62.926 63.200 0.139 0.000 0.763 189 S HN 0.547 nan 8.310 nan 0.000 0.512 190 K N 0.228 120.655 120.400 0.046 0.000 2.487 190 K HA 0.282 4.602 4.320 -0.000 0.000 0.192 190 K C -0.573 175.815 176.600 -0.352 0.000 1.027 190 K CA 0.124 56.278 56.287 -0.222 0.000 1.054 190 K CB -0.067 32.152 32.500 -0.469 0.000 0.824 190 K HN 0.478 nan 8.250 nan 0.000 0.510 191 F N -1.312 118.708 119.950 0.117 0.000 2.556 191 F HA 0.343 4.870 4.527 0.000 0.000 0.327 191 F C 1.625 177.548 175.800 0.205 0.000 1.059 191 F CA -0.887 57.181 58.000 0.114 0.000 0.953 191 F CB 1.509 40.526 39.000 0.028 0.000 1.227 191 F HN -0.152 nan 8.300 nan 0.000 0.478 192 G N 0.244 109.241 108.800 0.329 0.000 2.490 192 G HA2 0.309 4.269 3.960 -0.000 0.000 0.211 192 G HA3 0.309 4.269 3.960 -0.000 0.000 0.211 192 G C -0.379 174.651 174.900 0.217 0.000 1.159 192 G CA 0.345 45.580 45.100 0.225 0.000 0.819 192 G HN 0.331 nan 8.290 nan 0.000 0.539 193 V N 0.736 120.755 119.914 0.175 0.000 2.777 193 V HA 0.480 4.600 4.120 -0.000 0.000 0.306 193 V C -1.160 174.917 176.094 -0.027 0.000 1.112 193 V CA -0.656 61.684 62.300 0.066 0.000 0.917 193 V CB 2.188 34.040 31.823 0.049 0.000 1.018 193 V HN 0.161 nan 8.190 nan 0.000 0.426 194 I N 5.398 125.885 120.570 -0.138 0.000 2.474 194 I HA 0.700 4.870 4.170 -0.000 0.000 0.294 194 I C -0.716 175.295 176.117 -0.177 0.000 1.005 194 I CA -0.496 60.615 61.300 -0.315 0.000 1.113 194 I CB 1.706 39.447 38.000 -0.432 0.000 1.289 194 I HN 0.705 nan 8.210 nan 0.000 0.436 195 F N 4.166 123.940 119.950 -0.295 0.000 2.629 195 F HA 0.976 5.503 4.527 -0.000 0.000 0.316 195 F C -1.004 174.577 175.800 -0.365 0.000 1.081 195 F CA -1.243 56.574 58.000 -0.306 0.000 0.954 195 F CB 1.790 40.673 39.000 -0.194 0.000 1.337 195 F HN 0.422 nan 8.300 nan 0.000 0.474 196 A N 1.218 123.934 122.820 -0.172 0.000 2.500 196 A HA 0.608 4.928 4.320 -0.000 0.000 0.288 196 A C -0.418 177.032 177.584 -0.223 0.000 1.045 196 A CA -0.303 51.518 52.037 -0.360 0.000 0.830 196 A CB 0.378 18.813 19.000 -0.942 0.000 1.337 196 A HN 1.686 nan 8.150 nan 0.000 0.400 197 G N 1.026 109.748 108.800 -0.130 0.000 2.305 197 G HA2 0.513 4.473 3.960 -0.000 0.000 0.243 197 G HA3 0.513 4.473 3.960 -0.000 0.000 0.243 197 G C 1.059 175.859 174.900 -0.167 0.000 1.288 197 G CA 0.358 45.372 45.100 -0.144 0.000 0.901 197 G HN 1.825 nan 8.290 nan 0.000 0.516 198 A N 2.180 124.922 122.820 -0.131 0.000 2.066 198 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 198 A C 2.330 179.844 177.584 -0.117 0.000 1.157 198 A CA 1.605 53.577 52.037 -0.108 0.000 0.670 198 A CB -0.156 18.800 19.000 -0.073 0.000 0.804 198 A HN 0.762 nan 8.150 nan 0.000 0.453 199 Q N -0.125 119.593 119.800 -0.137 0.000 2.224 199 Q HA -0.143 4.197 4.340 -0.000 0.000 0.203 199 Q C 1.203 177.063 176.000 -0.233 0.000 0.970 199 Q CA 1.233 56.943 55.803 -0.156 0.000 0.865 199 Q CB -0.359 28.300 28.738 -0.131 0.000 0.922 199 Q HN 0.417 nan 8.270 nan 0.000 0.445 200 K N 0.795 121.033 120.400 -0.270 0.000 2.025 200 K HA -0.043 4.277 4.320 -0.000 0.000 0.207 200 K C 1.354 177.581 176.600 -0.623 0.000 1.049 200 K CA 1.508 57.508 56.287 -0.479 0.000 0.933 200 K CB -0.038 32.267 32.500 -0.326 0.000 0.714 200 K HN 0.282 nan 8.250 nan 0.000 0.438 201 N N -0.970 117.575 118.700 -0.259 0.000 2.168 201 N HA 0.026 4.766 4.740 -0.000 0.000 0.216 201 N C 0.369 175.870 175.510 -0.014 0.000 1.259 201 N CA 0.121 53.111 53.050 -0.100 0.000 0.902 201 N CB 1.131 39.672 38.487 0.090 0.000 1.079 201 N HN -0.168 nan 8.380 nan 0.000 0.507 202 V N -0.784 119.116 119.914 -0.022 0.000 3.337 202 V HA 0.637 4.757 4.120 -0.000 0.000 0.307 202 V C 0.621 176.696 176.094 -0.032 0.000 1.505 202 V CA 0.569 62.894 62.300 0.041 0.000 1.072 202 V CB 0.746 32.680 31.823 0.185 0.000 0.929 202 V HN 0.395 nan 8.190 nan 0.000 0.455 203 G N -0.212 108.531 108.800 -0.096 0.000 2.534 203 G HA2 0.300 4.260 3.960 -0.000 0.000 0.142 203 G HA3 0.300 4.260 3.960 -0.000 0.000 0.142 203 G C -0.914 173.908 174.900 -0.130 0.000 1.178 203 G CA 0.473 45.498 45.100 -0.125 0.000 1.037 203 G HN 0.174 nan 8.290 nan 0.000 0.474 204 S N -0.828 114.805 115.700 -0.111 0.000 2.599 204 S HA 0.753 5.223 4.470 -0.000 0.000 0.287 204 S C 0.236 174.798 174.600 -0.064 0.000 1.105 204 S CA 0.608 58.756 58.200 -0.085 0.000 0.899 204 S CB 1.223 64.388 63.200 -0.058 0.000 1.100 204 S HN 1.966 nan 8.310 nan 0.000 0.482 205 A N 0.937 123.726 122.820 -0.052 0.000 2.520 205 A HA 0.536 4.856 4.320 -0.000 0.000 0.245 205 A C 1.302 178.874 177.584 -0.021 0.000 1.072 205 A CA 0.653 52.663 52.037 -0.046 0.000 0.761 205 A CB -0.918 18.057 19.000 -0.042 0.000 1.004 205 A HN 1.898 nan 8.150 nan 0.000 0.499 206 G N 0.437 109.220 108.800 -0.027 0.000 2.551 206 G HA2 0.074 4.034 3.960 -0.000 0.000 0.186 206 G HA3 0.074 4.034 3.960 -0.000 0.000 0.186 206 G C 0.030 174.927 174.900 -0.006 0.000 1.002 206 G CA 0.231 45.325 45.100 -0.011 0.000 0.723 206 G HN 1.818 nan 8.290 nan 0.000 0.481 207 V N 1.308 121.216 119.914 -0.011 0.000 2.769 207 V HA 0.879 4.999 4.120 -0.000 0.000 0.312 207 V C -0.737 175.356 176.094 -0.002 0.000 1.061 207 V CA 0.170 62.479 62.300 0.014 0.000 0.931 207 V CB 2.304 34.142 31.823 0.026 0.000 1.010 207 V HN 0.294 nan 8.190 nan 0.000 0.433 208 T N 4.718 119.284 114.554 0.020 0.000 2.841 208 T HA 0.404 4.754 4.350 -0.000 0.000 0.285 208 T C -0.908 173.787 174.700 -0.007 0.000 0.991 208 T CA -0.228 61.855 62.100 -0.029 0.000 0.966 208 T CB 1.512 70.346 68.868 -0.058 0.000 0.962 208 T HN 0.662 nan 8.240 nan 0.000 0.438 209 V N 5.011 124.865 119.914 -0.099 0.000 2.465 209 V HA 0.632 4.752 4.120 -0.000 0.000 0.279 209 V C -0.689 175.255 176.094 -0.251 0.000 1.045 209 V CA -0.133 62.061 62.300 -0.177 0.000 0.938 209 V CB 0.903 32.622 31.823 -0.173 0.000 0.986 209 V HN 0.710 nan 8.190 nan 0.000 0.467 210 V N 8.215 127.957 119.914 -0.287 0.000 2.444 210 V HA 0.499 4.619 4.120 -0.000 0.000 0.294 210 V C -0.143 175.774 176.094 -0.296 0.000 1.022 210 V CA -0.482 61.650 62.300 -0.279 0.000 0.850 210 V CB 1.671 33.254 31.823 -0.401 0.000 0.992 210 V HN 0.749 nan 8.190 nan 0.000 0.426 211 I N 5.437 125.882 120.570 -0.209 0.000 2.312 211 I HA 0.503 4.673 4.170 -0.000 0.000 0.290 211 I C -0.601 175.491 176.117 -0.043 0.000 1.008 211 I CA -0.499 60.730 61.300 -0.119 0.000 1.226 211 I CB 1.561 39.499 38.000 -0.104 0.000 1.371 211 I HN 0.323 nan 8.210 nan 0.000 0.468 212 V N 5.918 125.829 119.914 -0.005 0.000 2.588 212 V HA 0.438 4.558 4.120 -0.000 0.000 0.304 212 V C 0.150 176.266 176.094 0.036 0.000 1.042 212 V CA -0.939 61.354 62.300 -0.012 0.000 0.877 212 V CB 1.811 33.517 31.823 -0.195 0.000 0.996 212 V HN 0.653 nan 8.190 nan 0.000 0.425 213 R N 2.339 122.800 120.500 -0.065 0.000 2.442 213 R HA 0.104 4.444 4.340 -0.000 0.000 0.291 213 R C 1.059 177.229 176.300 -0.217 0.000 1.069 213 R CA -0.158 55.655 56.100 -0.479 0.000 1.022 213 R CB 0.651 30.685 30.300 -0.443 0.000 0.976 213 R HN 0.966 nan 8.270 nan 0.000 0.443 214 D N 2.735 122.998 120.400 -0.229 0.000 2.263 214 D HA -0.219 4.421 4.640 -0.000 0.000 0.208 214 D C 0.708 176.985 176.300 -0.040 0.000 0.971 214 D CA 1.159 55.102 54.000 -0.095 0.000 0.867 214 D CB -0.050 40.701 40.800 -0.082 0.000 0.929 214 D HN 0.682 nan 8.370 nan 0.000 0.492 215 D N 0.443 120.819 120.400 -0.040 0.000 2.349 215 D HA -0.095 4.545 4.640 -0.000 0.000 0.224 215 D C 1.293 177.690 176.300 0.161 0.000 1.029 215 D CA 0.022 54.047 54.000 0.041 0.000 0.879 215 D CB -0.222 40.595 40.800 0.028 0.000 0.906 215 D HN 0.327 nan 8.370 nan 0.000 0.528 216 L N 0.435 121.743 121.223 0.142 0.000 2.872 216 L HA 0.297 4.637 4.340 -0.000 0.000 0.245 216 L C 0.378 177.424 176.870 0.293 0.000 1.211 216 L CA -0.255 54.747 54.840 0.270 0.000 1.013 216 L CB 0.079 42.234 42.059 0.160 0.000 1.326 216 L HN -0.136 nan 8.230 nan 0.000 0.525 217 L N -0.685 120.629 121.223 0.152 0.000 2.431 217 L HA 0.580 4.920 4.340 -0.000 0.000 0.260 217 L C 1.283 178.091 176.870 -0.103 0.000 1.098 217 L CA -0.532 54.350 54.840 0.069 0.000 0.800 217 L CB 0.481 42.555 42.059 0.025 0.000 1.210 217 L HN 0.155 nan 8.230 nan 0.000 0.465 218 G N 0.319 109.044 108.800 -0.125 0.000 2.366 218 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.299 218 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.299 218 G C -0.030 174.562 174.900 -0.513 0.000 1.020 218 G CA 0.388 45.333 45.100 -0.258 0.000 1.026 218 G HN 0.485 nan 8.290 nan 0.000 0.512 219 F N -0.016 119.922 119.950 -0.021 0.000 2.746 219 F HA 0.575 5.102 4.527 -0.000 0.000 0.320 219 F C 1.675 177.454 175.800 -0.035 0.000 1.097 219 F CA -0.394 57.598 58.000 -0.013 0.000 1.195 219 F CB 0.289 39.294 39.000 0.009 0.000 1.056 219 F HN 0.473 nan 8.300 nan 0.000 0.562 220 A N 1.575 124.418 122.820 0.038 0.000 2.540 220 A HA 0.264 4.584 4.320 -0.000 0.000 0.239 220 A C 0.410 177.982 177.584 -0.020 0.000 1.061 220 A CA -0.166 51.847 52.037 -0.040 0.000 0.758 220 A CB -0.063 18.867 19.000 -0.117 0.000 0.991 220 A HN 0.311 nan 8.150 nan 0.000 0.502 221 L N 2.191 123.397 121.223 -0.029 0.000 2.467 221 L HA 0.106 4.446 4.340 -0.000 0.000 0.270 221 L C 2.063 178.923 176.870 -0.017 0.000 1.205 221 L CA -0.121 54.718 54.840 -0.002 0.000 0.828 221 L CB 0.260 42.328 42.059 0.014 0.000 1.101 221 L HN 1.008 nan 8.230 nan 0.000 0.479 222 R N 0.972 121.474 120.500 0.003 0.000 2.159 222 R HA -0.173 4.167 4.340 -0.000 0.000 0.237 222 R C 1.287 177.587 176.300 -0.001 0.000 1.131 222 R CA 1.540 57.639 56.100 -0.002 0.000 0.982 222 R CB 0.197 30.502 30.300 0.009 0.000 0.868 222 R HN 0.646 nan 8.270 nan 0.000 0.453 223 E N -0.391 119.819 120.200 0.016 0.000 2.435 223 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 223 E C 0.242 176.847 176.600 0.007 0.000 1.029 223 E CA 0.143 56.563 56.400 0.033 0.000 0.865 223 E CB -0.030 29.722 29.700 0.087 0.000 0.833 223 E HN 0.210 nan 8.360 nan 0.000 0.510 224 C N 3.118 122.392 119.300 -0.044 0.000 2.648 224 C HA 0.131 4.591 4.460 -0.000 0.000 0.406 224 C C -2.107 172.834 174.990 -0.082 0.000 1.406 224 C CA -2.014 56.943 59.018 -0.101 0.000 1.610 224 C CB -0.492 27.151 27.740 -0.161 0.000 2.451 224 C HN 0.127 nan 8.230 nan 0.000 0.608 225 P HA 0.090 nan 4.420 nan 0.000 0.264 225 P C 0.718 177.971 177.300 -0.079 0.000 1.193 225 P CA 0.432 63.506 63.100 -0.043 0.000 0.763 225 P CB 0.696 32.383 31.700 -0.021 0.000 0.810 226 S N 2.276 117.929 115.700 -0.078 0.000 2.374 226 S HA -0.160 4.310 4.470 -0.000 0.000 0.227 226 S C 1.752 176.192 174.600 -0.267 0.000 1.037 226 S CA 1.790 59.863 58.200 -0.213 0.000 1.024 226 S CB -0.894 62.155 63.200 -0.252 0.000 0.861 226 S HN 0.581 nan 8.310 nan 0.000 0.456 227 V N -0.512 119.366 119.914 -0.061 0.000 3.078 227 V HA 0.079 4.199 4.120 -0.000 0.000 0.265 227 V C 1.377 177.465 176.094 -0.011 0.000 1.122 227 V CA 1.409 63.728 62.300 0.031 0.000 1.141 227 V CB -0.804 31.100 31.823 0.136 0.000 0.735 227 V HN 0.443 nan 8.190 nan 0.000 0.498 228 L N -0.054 121.132 121.223 -0.061 0.000 2.693 228 L HA 0.384 4.724 4.340 -0.000 0.000 0.235 228 L C 1.131 177.916 176.870 -0.141 0.000 1.127 228 L CA 0.080 54.878 54.840 -0.069 0.000 0.914 228 L CB 0.171 42.173 42.059 -0.095 0.000 1.193 228 L HN 0.356 nan 8.230 nan 0.000 0.502 229 E N -0.060 120.038 120.200 -0.170 0.000 2.217 229 E HA -0.036 4.314 4.350 -0.000 0.000 0.279 229 E C 0.459 177.014 176.600 -0.075 0.000 1.068 229 E CA -0.336 55.933 56.400 -0.217 0.000 0.882 229 E CB 0.510 30.085 29.700 -0.207 0.000 1.039 229 E HN 0.098 nan 8.360 nan 0.000 0.418 230 Y N 4.256 124.497 120.300 -0.097 0.000 2.081 230 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 230 Y C 2.224 178.077 175.900 -0.079 0.000 1.163 230 Y CA 1.537 59.590 58.100 -0.079 0.000 1.135 230 Y CB -0.776 37.649 38.460 -0.059 0.000 0.970 230 Y HN 0.594 nan 8.280 nan 0.000 0.498 231 K N 0.315 120.761 120.400 0.076 0.000 2.059 231 K HA -0.194 4.126 4.320 -0.000 0.000 0.212 231 K C 2.072 178.651 176.600 -0.035 0.000 1.050 231 K CA 2.079 58.367 56.287 0.001 0.000 0.927 231 K CB -0.443 32.030 32.500 -0.044 0.000 0.714 231 K HN 0.171 nan 8.250 nan 0.000 0.447 232 V N 0.962 120.817 119.914 -0.098 0.000 2.295 232 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 232 V C 2.491 178.524 176.094 -0.101 0.000 1.049 232 V CA 2.033 64.225 62.300 -0.180 0.000 1.024 232 V CB -0.465 31.104 31.823 -0.423 0.000 0.648 232 V HN 0.420 nan 8.190 nan 0.000 0.447 233 Q N -0.293 119.473 119.800 -0.056 0.000 2.123 233 Q HA -0.002 4.338 4.340 -0.000 0.000 0.199 233 Q C 2.117 178.149 176.000 0.053 0.000 0.966 233 Q CA 1.728 57.552 55.803 0.035 0.000 0.845 233 Q CB -0.470 28.300 28.738 0.054 0.000 0.907 233 Q HN 0.630 nan 8.270 nan 0.000 0.439 234 A N -0.703 122.135 122.820 0.029 0.000 1.897 234 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 234 A C 2.132 179.733 177.584 0.028 0.000 1.181 234 A CA 1.256 53.303 52.037 0.017 0.000 0.620 234 A CB -1.009 17.992 19.000 0.002 0.000 0.821 234 A HN 0.460 nan 8.150 nan 0.000 0.443 235 G N -0.938 107.877 108.800 0.025 0.000 2.708 235 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.210 235 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.210 235 G C 0.889 175.825 174.900 0.061 0.000 1.141 235 G CA 0.704 45.823 45.100 0.032 0.000 0.788 235 G HN 0.527 nan 8.290 nan 0.000 0.531 236 N N 0.003 118.755 118.700 0.088 0.000 2.170 236 N HA 0.062 4.802 4.740 -0.000 0.000 0.222 236 N C 0.363 175.950 175.510 0.129 0.000 1.218 236 N CA 0.296 53.422 53.050 0.127 0.000 0.889 236 N CB 0.824 39.434 38.487 0.205 0.000 1.083 236 N HN 0.048 nan 8.380 nan 0.000 0.520 237 S N 0.596 116.358 115.700 0.102 0.000 3.706 237 S HA -0.186 4.284 4.470 -0.000 0.000 0.363 237 S C 0.521 175.220 174.600 0.165 0.000 0.999 237 S CA 0.756 59.022 58.200 0.110 0.000 1.143 237 S CB -1.864 61.396 63.200 0.100 0.000 0.902 237 S HN 0.416 nan 8.310 nan 0.000 0.476 238 S N -1.615 114.183 115.700 0.163 0.000 3.445 238 S HA -0.230 4.240 4.470 -0.000 0.000 0.319 238 S C 0.544 175.295 174.600 0.252 0.000 1.209 238 S CA 1.353 59.680 58.200 0.212 0.000 0.934 238 S CB -1.282 62.088 63.200 0.284 0.000 0.999 238 S HN 0.757 nan 8.310 nan 0.000 0.582 239 L N -0.511 120.859 121.223 0.244 0.000 3.066 239 L HA 0.279 4.619 4.340 -0.000 0.000 0.265 239 L C 1.541 178.554 176.870 0.238 0.000 1.232 239 L CA -0.183 54.819 54.840 0.270 0.000 1.031 239 L CB -0.126 42.085 42.059 0.253 0.000 1.379 239 L HN 0.386 nan 8.230 nan 0.000 0.563 240 Y N 2.261 122.626 120.300 0.109 0.000 2.128 240 Y HA -0.227 4.323 4.550 0.000 0.000 0.284 240 Y C 1.464 177.400 175.900 0.060 0.000 1.154 240 Y CA 1.642 59.787 58.100 0.074 0.000 1.149 240 Y CB 0.224 38.714 38.460 0.050 0.000 0.976 240 Y HN 0.505 nan 8.280 nan 0.000 0.505 241 N N -1.850 116.820 118.700 -0.050 0.000 3.379 241 N HA 0.149 4.889 4.740 -0.000 0.000 0.350 241 N C -1.054 174.300 175.510 -0.260 0.000 1.553 241 N CA -0.263 52.667 53.050 -0.199 0.000 0.712 241 N CB 0.390 38.774 38.487 -0.172 0.000 1.880 241 N HN -0.109 nan 8.380 nan 0.000 0.648 242 T N 2.578 116.859 114.554 -0.454 0.000 2.769 242 T HA 0.298 4.648 4.350 -0.000 0.000 0.293 242 T C -2.142 172.384 174.700 -0.290 0.000 0.931 242 T CA -0.440 61.243 62.100 -0.694 0.000 1.139 242 T CB 0.508 69.012 68.868 -0.606 0.000 0.881 242 T HN 0.431 nan 8.240 nan 0.000 0.532 243 P HA 0.294 nan 4.420 nan 0.000 0.276 243 P C -2.744 174.509 177.300 -0.078 0.000 1.261 243 P CA -2.163 60.919 63.100 -0.030 0.000 0.800 243 P CB -0.100 31.677 31.700 0.128 0.000 1.066 244 P HA 0.139 nan 4.420 nan 0.000 0.252 244 P C 0.666 177.977 177.300 0.019 0.000 1.727 244 P CA -0.064 63.033 63.100 -0.006 0.000 1.134 244 P CB -0.758 30.953 31.700 0.020 0.000 1.876 245 C N 1.417 120.680 119.300 -0.062 0.000 2.413 245 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 245 C C 2.257 177.346 174.990 0.166 0.000 1.228 245 C CA 0.690 59.658 59.018 -0.084 0.000 1.731 245 C CB -1.835 25.659 27.740 -0.411 0.000 2.042 245 C HN 0.390 nan 8.230 nan 0.000 0.468 246 F N 1.960 121.909 119.950 -0.001 0.000 2.095 246 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 246 F C 2.614 178.476 175.800 0.103 0.000 1.104 246 F CA 2.046 60.095 58.000 0.082 0.000 1.232 246 F CB -0.620 38.398 39.000 0.031 0.000 0.987 246 F HN 0.121 nan 8.300 nan 0.000 0.475 247 S N 0.511 116.282 115.700 0.119 0.000 2.383 247 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 247 S C 2.150 176.693 174.600 -0.095 0.000 1.030 247 S CA 1.648 59.844 58.200 -0.007 0.000 1.002 247 S CB -0.541 62.667 63.200 0.015 0.000 0.829 247 S HN 0.370 nan 8.310 nan 0.000 0.467 248 I N 0.136 120.673 120.570 -0.055 0.000 2.202 248 I HA -0.187 3.983 4.170 -0.000 0.000 0.242 248 I C 2.291 178.314 176.117 -0.158 0.000 1.091 248 I CA 1.351 62.551 61.300 -0.167 0.000 1.368 248 I CB -0.436 37.486 38.000 -0.130 0.000 1.058 248 I HN 0.296 nan 8.210 nan 0.000 0.410 249 Y N 1.488 121.669 120.300 -0.199 0.000 2.114 249 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 249 Y C 2.335 178.057 175.900 -0.297 0.000 1.165 249 Y CA 1.762 59.709 58.100 -0.255 0.000 1.148 249 Y CB -0.713 37.565 38.460 -0.305 0.000 0.972 249 Y HN -0.103 nan 8.280 nan 0.000 0.504 250 V N 1.208 120.755 119.914 -0.611 0.000 2.270 250 V HA -0.367 3.753 4.120 -0.000 0.000 0.245 250 V C 2.623 178.472 176.094 -0.407 0.000 1.043 250 V CA 2.278 64.183 62.300 -0.658 0.000 1.014 250 V CB -0.813 30.720 31.823 -0.483 0.000 0.645 250 V HN 0.650 nan 8.190 nan 0.000 0.447 251 M N 0.661 120.095 119.600 -0.277 0.000 2.106 251 M HA -0.170 4.310 4.480 -0.000 0.000 0.259 251 M C 2.010 178.216 176.300 -0.157 0.000 1.068 251 M CA 2.525 57.718 55.300 -0.178 0.000 1.100 251 M CB -0.742 31.775 32.600 -0.138 0.000 1.351 251 M HN 0.372 nan 8.290 nan 0.000 0.404 252 G N 0.769 109.445 108.800 -0.206 0.000 2.476 252 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 252 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 252 G C 1.398 176.222 174.900 -0.125 0.000 1.164 252 G CA 1.278 46.288 45.100 -0.150 0.000 0.768 252 G HN 0.517 nan 8.290 nan 0.000 0.560 253 L N 0.171 121.259 121.223 -0.225 0.000 2.017 253 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 253 L C 3.024 179.856 176.870 -0.063 0.000 1.073 253 L CA 0.702 55.438 54.840 -0.173 0.000 0.745 253 L CB -0.863 41.005 42.059 -0.320 0.000 0.894 253 L HN 0.091 nan 8.230 nan 0.000 0.432 254 V N 0.425 120.279 119.914 -0.101 0.000 2.282 254 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 254 V C 2.459 178.635 176.094 0.136 0.000 1.057 254 V CA 1.900 64.191 62.300 -0.014 0.000 1.032 254 V CB -0.526 31.250 31.823 -0.079 0.000 0.645 254 V HN 0.365 nan 8.190 nan 0.000 0.447 255 L N -0.366 120.900 121.223 0.071 0.000 2.141 255 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 255 L C 2.610 179.527 176.870 0.080 0.000 1.094 255 L CA 1.543 56.434 54.840 0.085 0.000 0.763 255 L CB -0.568 41.526 42.059 0.060 0.000 0.908 255 L HN 0.354 nan 8.230 nan 0.000 0.437 256 E N -0.094 120.147 120.200 0.068 0.000 2.077 256 E HA -0.272 4.078 4.350 -0.000 0.000 0.193 256 E C 1.925 178.586 176.600 0.101 0.000 0.989 256 E CA 1.406 57.841 56.400 0.058 0.000 0.800 256 E CB -0.317 29.405 29.700 0.038 0.000 0.746 256 E HN 0.445 nan 8.360 nan 0.000 0.452 257 W N 0.497 121.769 121.300 -0.047 0.000 2.388 257 W HA -0.075 4.585 4.660 -0.000 0.000 0.294 257 W C 1.723 178.225 176.519 -0.028 0.000 1.212 257 W CA 1.587 58.910 57.345 -0.036 0.000 1.271 257 W CB -0.167 29.268 29.460 -0.041 0.000 1.126 257 W HN 0.049 nan 8.180 nan 0.000 0.535 258 I N 0.864 121.516 120.570 0.137 0.000 2.179 258 I HA -0.342 3.828 4.170 -0.000 0.000 0.242 258 I C 2.578 178.588 176.117 -0.178 0.000 1.088 258 I CA 1.922 63.167 61.300 -0.093 0.000 1.357 258 I CB -0.858 37.178 38.000 0.061 0.000 1.051 258 I HN -0.028 nan 8.210 nan 0.000 0.409 259 K N 1.304 121.654 120.400 -0.084 0.000 2.020 259 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 259 K C 1.810 178.334 176.600 -0.127 0.000 1.050 259 K CA 1.911 58.147 56.287 -0.085 0.000 0.929 259 K CB -0.112 32.364 32.500 -0.041 0.000 0.714 259 K HN 0.298 nan 8.250 nan 0.000 0.443 260 N N 1.026 119.637 118.700 -0.147 0.000 2.453 260 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 260 N C 0.562 175.922 175.510 -0.251 0.000 1.041 260 N CA 0.748 53.699 53.050 -0.165 0.000 0.900 260 N CB -0.121 38.288 38.487 -0.130 0.000 0.961 260 N HN 0.326 nan 8.380 nan 0.000 0.443 261 N N -0.252 118.220 118.700 -0.381 0.000 2.235 261 N HA 0.102 4.842 4.740 -0.000 0.000 0.209 261 N C 0.716 176.063 175.510 -0.271 0.000 1.122 261 N CA 0.309 53.109 53.050 -0.417 0.000 0.845 261 N CB 1.216 39.241 38.487 -0.770 0.000 1.004 261 N HN 0.264 nan 8.380 nan 0.000 0.499 262 G N 0.157 108.838 108.800 -0.198 0.000 2.154 262 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.186 262 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.186 262 G C 0.494 175.326 174.900 -0.112 0.000 1.000 262 G CA 0.113 45.133 45.100 -0.132 0.000 0.664 262 G HN 0.658 nan 8.290 nan 0.000 0.513 263 G N -0.634 108.091 108.800 -0.125 0.000 2.750 263 G HA2 0.254 4.214 3.960 -0.000 0.000 0.228 263 G HA3 0.254 4.214 3.960 -0.000 0.000 0.228 263 G C 1.392 176.240 174.900 -0.087 0.000 1.367 263 G CA 1.356 46.399 45.100 -0.095 0.000 0.871 263 G HN 1.890 nan 8.290 nan 0.000 0.560 264 A N -0.786 121.984 122.820 -0.083 0.000 1.927 264 A HA 0.101 4.421 4.320 -0.000 0.000 0.220 264 A C 3.080 180.628 177.584 -0.060 0.000 1.185 264 A CA 4.050 56.037 52.037 -0.084 0.000 0.639 264 A CB -1.144 17.793 19.000 -0.105 0.000 0.820 264 A HN 2.520 nan 8.150 nan 0.000 0.451 265 A N -0.353 122.435 122.820 -0.054 0.000 1.883 265 A HA 0.104 4.424 4.320 -0.000 0.000 0.217 265 A C 2.543 180.105 177.584 -0.036 0.000 1.186 265 A CA 2.420 54.434 52.037 -0.038 0.000 0.624 265 A CB -1.113 17.865 19.000 -0.035 0.000 0.822 265 A HN 1.217 nan 8.150 nan 0.000 0.444 266 A N -1.005 121.783 122.820 -0.054 0.000 1.933 266 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 266 A C 2.147 179.706 177.584 -0.042 0.000 1.175 266 A CA 1.934 53.936 52.037 -0.058 0.000 0.628 266 A CB -0.471 18.472 19.000 -0.095 0.000 0.814 266 A HN 0.448 nan 8.150 nan 0.000 0.444 267 M N -0.507 119.069 119.600 -0.039 0.000 2.117 267 M HA -0.137 4.343 4.480 -0.000 0.000 0.262 267 M C 1.985 178.295 176.300 0.017 0.000 1.065 267 M CA 1.875 57.176 55.300 0.001 0.000 1.114 267 M CB -1.493 31.114 32.600 0.013 0.000 1.361 267 M HN 0.726 nan 8.290 nan 0.000 0.408 268 E N 0.767 120.970 120.200 0.005 0.000 2.110 268 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 268 E C 2.164 178.779 176.600 0.025 0.000 0.988 268 E CA 1.341 57.752 56.400 0.018 0.000 0.804 268 E CB 0.015 29.721 29.700 0.010 0.000 0.745 268 E HN 0.410 nan 8.360 nan 0.000 0.458 269 K N 0.329 120.737 120.400 0.012 0.000 2.026 269 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 269 K C 2.254 178.869 176.600 0.025 0.000 1.048 269 K CA 1.335 57.631 56.287 0.015 0.000 0.929 269 K CB -0.133 32.367 32.500 0.000 0.000 0.713 269 K HN 0.207 nan 8.250 nan 0.000 0.439 270 L N 0.635 121.873 121.223 0.026 0.000 2.017 270 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 270 L C 2.445 179.349 176.870 0.058 0.000 1.073 270 L CA 1.415 56.282 54.840 0.044 0.000 0.745 270 L CB -0.443 41.649 42.059 0.054 0.000 0.894 270 L HN 0.108 nan 8.230 nan 0.000 0.432 271 S N -0.822 114.914 115.700 0.061 0.000 2.419 271 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 271 S C 2.188 176.830 174.600 0.071 0.000 1.016 271 S CA 1.384 59.626 58.200 0.069 0.000 0.974 271 S CB -0.160 63.083 63.200 0.072 0.000 0.786 271 S HN 0.342 nan 8.310 nan 0.000 0.492 272 S N 1.512 117.251 115.700 0.064 0.000 2.345 272 S HA 0.091 4.561 4.470 -0.000 0.000 0.219 272 S C 1.820 176.459 174.600 0.066 0.000 1.031 272 S CA 0.736 58.977 58.200 0.069 0.000 0.984 272 S CB -0.362 62.871 63.200 0.055 0.000 0.874 272 S HN 0.374 nan 8.310 nan 0.000 0.451 273 I N 1.560 122.162 120.570 0.052 0.000 2.091 273 I HA -0.317 3.853 4.170 -0.000 0.000 0.239 273 I C 2.417 178.563 176.117 0.048 0.000 1.061 273 I CA 1.506 62.835 61.300 0.047 0.000 1.317 273 I CB -0.281 37.744 38.000 0.042 0.000 1.031 273 I HN 0.212 nan 8.210 nan 0.000 0.401 274 K N 0.473 120.903 120.400 0.051 0.000 2.032 274 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 274 K C 2.232 178.840 176.600 0.013 0.000 1.048 274 K CA 2.141 58.455 56.287 0.046 0.000 0.927 274 K CB -0.277 32.259 32.500 0.061 0.000 0.712 274 K HN 0.455 nan 8.250 nan 0.000 0.441 275 S N 0.552 116.266 115.700 0.023 0.000 2.395 275 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 275 S C 1.961 176.574 174.600 0.022 0.000 1.027 275 S CA 0.548 58.734 58.200 -0.024 0.000 0.965 275 S CB -0.189 63.063 63.200 0.086 0.000 0.812 275 S HN 0.250 nan 8.310 nan 0.000 0.482 276 Q N 0.889 120.753 119.800 0.106 0.000 2.291 276 Q HA -0.022 4.318 4.340 -0.000 0.000 0.205 276 Q C 1.969 178.007 176.000 0.064 0.000 0.970 276 Q CA 1.575 57.457 55.803 0.131 0.000 0.876 276 Q CB -0.526 28.273 28.738 0.102 0.000 0.935 276 Q HN 0.603 nan 8.270 nan 0.000 0.455 277 T N 0.808 115.373 114.554 0.019 0.000 2.746 277 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 277 T C 1.624 176.291 174.700 -0.054 0.000 1.039 277 T CA 0.825 62.923 62.100 -0.002 0.000 1.142 277 T CB 0.055 68.927 68.868 0.006 0.000 0.866 277 T HN 0.155 nan 8.240 nan 0.000 0.444 278 I N -0.162 120.325 120.570 -0.138 0.000 2.400 278 I HA 0.037 4.207 4.170 -0.000 0.000 0.248 278 I C 1.940 177.903 176.117 -0.257 0.000 1.109 278 I CA 0.863 62.001 61.300 -0.271 0.000 1.425 278 I CB -1.329 36.433 38.000 -0.396 0.000 1.094 278 I HN 0.220 nan 8.210 nan 0.000 0.425 279 Y N 1.428 121.685 120.300 -0.071 0.000 2.421 279 Y HA -0.095 4.455 4.550 0.000 0.000 0.292 279 Y C 2.593 178.471 175.900 -0.037 0.000 1.136 279 Y CA 0.639 58.706 58.100 -0.056 0.000 1.255 279 Y CB -0.489 37.960 38.460 -0.018 0.000 0.991 279 Y HN 0.288 nan 8.280 nan 0.000 0.552 280 E N 0.039 120.301 120.200 0.103 0.000 2.046 280 E HA -0.157 4.193 4.350 -0.000 0.000 0.190 280 E C 2.130 178.760 176.600 0.049 0.000 0.982 280 E CA 1.122 57.563 56.400 0.069 0.000 0.800 280 E CB -0.219 29.509 29.700 0.047 0.000 0.756 280 E HN 0.420 nan 8.360 nan 0.000 0.449 281 I N 0.993 121.570 120.570 0.011 0.000 2.179 281 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 281 I C 2.400 178.558 176.117 0.068 0.000 1.088 281 I CA 0.943 62.256 61.300 0.022 0.000 1.357 281 I CB -0.217 37.757 38.000 -0.043 0.000 1.051 281 I HN 0.119 nan 8.210 nan 0.000 0.409 282 I N 0.854 121.416 120.570 -0.014 0.000 2.087 282 I HA -0.376 3.794 4.170 -0.000 0.000 0.240 282 I C 1.976 178.167 176.117 0.123 0.000 1.054 282 I CA 1.729 63.058 61.300 0.047 0.000 1.311 282 I CB -0.507 37.488 38.000 -0.008 0.000 1.024 282 I HN 0.277 nan 8.210 nan 0.000 0.402 283 D N 0.325 120.787 120.400 0.103 0.000 2.264 283 D HA -0.101 4.539 4.640 -0.000 0.000 0.208 283 D C 1.374 177.720 176.300 0.076 0.000 0.966 283 D CA 0.912 54.963 54.000 0.085 0.000 0.864 283 D CB -0.380 40.460 40.800 0.066 0.000 0.933 283 D HN 0.428 nan 8.370 nan 0.000 0.499 284 N N -0.099 118.650 118.700 0.082 0.000 2.230 284 N HA -0.020 4.720 4.740 -0.000 0.000 0.202 284 N C 1.021 176.578 175.510 0.078 0.000 1.119 284 N CA 0.087 53.177 53.050 0.066 0.000 0.851 284 N CB 0.664 39.181 38.487 0.051 0.000 0.990 284 N HN 0.061 nan 8.380 nan 0.000 0.497 285 S N 0.956 116.730 115.700 0.124 0.000 2.603 285 S HA -0.093 4.377 4.470 -0.000 0.000 0.220 285 S C 0.814 175.482 174.600 0.113 0.000 0.967 285 S CA -0.264 58.020 58.200 0.140 0.000 0.920 285 S CB -0.431 62.940 63.200 0.285 0.000 0.773 285 S HN 0.412 nan 8.310 nan 0.000 0.529 286 Q N 0.047 119.899 119.800 0.087 0.000 2.417 286 Q HA -0.216 4.124 4.340 -0.000 0.000 0.350 286 Q C 0.871 176.923 176.000 0.086 0.000 1.364 286 Q CA 0.662 56.507 55.803 0.070 0.000 1.024 286 Q CB -2.694 26.071 28.738 0.044 0.000 1.235 286 Q HN 1.397 nan 8.270 nan 0.000 0.388 287 G N -0.144 108.715 108.800 0.099 0.000 2.175 287 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.244 287 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.244 287 G C 0.037 174.985 174.900 0.081 0.000 0.982 287 G CA 0.323 45.472 45.100 0.081 0.000 0.641 287 G HN 0.612 nan 8.290 nan 0.000 0.527 288 F N 0.678 120.592 119.950 -0.060 0.000 2.187 288 F HA 0.420 4.947 4.527 -0.000 0.000 0.295 288 F C 0.881 176.544 175.800 -0.228 0.000 1.091 288 F CA 0.750 58.644 58.000 -0.178 0.000 1.308 288 F CB 0.204 39.027 39.000 -0.295 0.000 1.030 288 F HN 0.124 nan 8.300 nan 0.000 0.487 289 Y N 0.405 120.793 120.300 0.148 0.000 2.328 289 Y HA 0.528 5.078 4.550 -0.000 0.000 0.337 289 Y C -0.522 175.404 175.900 0.044 0.000 0.966 289 Y CA -1.602 56.520 58.100 0.037 0.000 1.136 289 Y CB 1.331 39.760 38.460 -0.053 0.000 1.170 289 Y HN -0.392 nan 8.280 nan 0.000 0.470 290 V N 3.311 123.362 119.914 0.227 0.000 2.487 290 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 290 V C -0.522 175.700 176.094 0.214 0.000 1.028 290 V CA -1.030 61.371 62.300 0.168 0.000 0.860 290 V CB 1.739 33.620 31.823 0.097 0.000 0.991 290 V HN 0.942 nan 8.190 nan 0.000 0.427 291 C N 8.218 127.635 119.300 0.195 0.000 2.295 291 C HA 0.594 5.054 4.460 -0.000 0.000 0.331 291 C C -0.407 174.673 174.990 0.150 0.000 1.280 291 C CA -1.315 57.837 59.018 0.223 0.000 1.746 291 C CB 1.130 29.037 27.740 0.279 0.000 2.328 291 C HN 0.859 nan 8.230 nan 0.000 0.521 292 P HA 0.038 nan 4.420 nan 0.000 0.235 292 P C 0.182 177.539 177.300 0.094 0.000 1.177 292 P CA 0.569 63.733 63.100 0.106 0.000 0.785 292 P CB -0.053 31.712 31.700 0.110 0.000 0.885 293 V N 1.896 121.875 119.914 0.107 0.000 2.583 293 V HA 0.077 4.197 4.120 -0.000 0.000 0.287 293 V C 0.845 176.953 176.094 0.024 0.000 1.051 293 V CA -0.682 61.665 62.300 0.079 0.000 1.010 293 V CB 0.310 32.192 31.823 0.097 0.000 0.988 293 V HN 0.056 nan 8.190 nan 0.000 0.478 294 E N 6.109 126.316 120.200 0.011 0.000 2.480 294 E HA -0.011 4.339 4.350 -0.000 0.000 0.258 294 E C -1.467 175.099 176.600 -0.055 0.000 0.984 294 E CA -1.067 55.322 56.400 -0.018 0.000 0.930 294 E CB 0.414 30.105 29.700 -0.016 0.000 0.936 294 E HN 0.467 nan 8.360 nan 0.000 0.466 295 P HA -0.342 nan 4.420 nan 0.000 0.222 295 P C 1.467 178.700 177.300 -0.112 0.000 1.159 295 P CA 2.481 65.501 63.100 -0.134 0.000 0.920 295 P CB 0.105 31.748 31.700 -0.095 0.000 0.793 296 Q N -1.029 118.730 119.800 -0.069 0.000 2.364 296 Q HA -0.132 4.208 4.340 -0.000 0.000 0.207 296 Q C 1.477 177.464 176.000 -0.021 0.000 0.970 296 Q CA 1.941 57.716 55.803 -0.047 0.000 0.888 296 Q CB -1.530 27.177 28.738 -0.051 0.000 0.951 296 Q HN 0.560 nan 8.270 nan 0.000 0.469 297 N N -1.419 117.264 118.700 -0.027 0.000 2.171 297 N HA 0.172 4.912 4.740 -0.000 0.000 0.212 297 N C -0.227 175.291 175.510 0.012 0.000 1.184 297 N CA -0.502 52.546 53.050 -0.004 0.000 0.888 297 N CB 0.758 39.233 38.487 -0.020 0.000 1.038 297 N HN 0.281 nan 8.380 nan 0.000 0.517 298 R N 1.398 121.876 120.500 -0.037 0.000 2.585 298 R HA 0.074 4.414 4.340 -0.000 0.000 0.275 298 R C 0.314 176.669 176.300 0.092 0.000 1.018 298 R CA 0.125 56.211 56.100 -0.023 0.000 1.072 298 R CB 0.557 30.660 30.300 -0.329 0.000 0.953 298 R HN 0.017 nan 8.270 nan 0.000 0.419 299 S N 1.367 117.180 115.700 0.187 0.000 2.572 299 S HA 0.021 4.491 4.470 -0.000 0.000 0.279 299 S C 0.786 175.542 174.600 0.260 0.000 1.341 299 S CA -0.205 58.117 58.200 0.203 0.000 1.043 299 S CB 0.717 64.030 63.200 0.188 0.000 0.887 299 S HN 0.559 nan 8.310 nan 0.000 0.516 300 K N 2.943 123.457 120.400 0.190 0.000 2.356 300 K HA 0.155 4.475 4.320 -0.000 0.000 0.195 300 K C 1.568 178.218 176.600 0.083 0.000 1.037 300 K CA 0.451 56.838 56.287 0.166 0.000 1.014 300 K CB 0.025 32.605 32.500 0.134 0.000 0.815 300 K HN 0.564 nan 8.250 nan 0.000 0.507 301 M N 0.218 119.854 119.600 0.060 0.000 2.412 301 M HA 0.053 4.533 4.480 -0.000 0.000 0.263 301 M C -0.155 176.060 176.300 -0.142 0.000 1.122 301 M CA 1.159 56.425 55.300 -0.058 0.000 1.179 301 M CB -0.562 32.043 32.600 0.008 0.000 1.335 301 M HN -0.064 nan 8.290 nan 0.000 0.465 302 N N 0.432 119.124 118.700 -0.013 0.000 2.399 302 N HA 0.476 5.216 4.740 -0.000 0.000 0.284 302 N C -1.083 174.475 175.510 0.079 0.000 1.025 302 N CA -0.142 52.910 53.050 0.003 0.000 0.885 302 N CB 2.237 40.760 38.487 0.059 0.000 1.339 302 N HN 0.062 nan 8.380 nan 0.000 0.487 303 I N 3.038 123.637 120.570 0.049 0.000 2.428 303 I HA 0.357 4.527 4.170 -0.000 0.000 0.279 303 I C -2.376 173.846 176.117 0.175 0.000 1.040 303 I CA -1.909 59.445 61.300 0.090 0.000 1.171 303 I CB 1.270 39.182 38.000 -0.147 0.000 1.312 303 I HN 0.226 nan 8.210 nan 0.000 0.470 304 P HA 0.487 nan 4.420 nan 0.000 0.294 304 P C -1.122 176.314 177.300 0.227 0.000 1.294 304 P CA -0.242 62.921 63.100 0.106 0.000 0.827 304 P CB 1.059 32.813 31.700 0.090 0.000 0.992 305 F N 0.160 120.090 119.950 -0.033 0.000 2.693 305 F HA 0.718 5.245 4.527 -0.000 0.000 0.309 305 F C -0.994 174.761 175.800 -0.074 0.000 1.129 305 F CA -1.322 56.659 58.000 -0.032 0.000 0.948 305 F CB 1.032 40.007 39.000 -0.042 0.000 1.315 305 F HN -0.045 nan 8.300 nan 0.000 0.447 306 R N 1.724 122.298 120.500 0.123 0.000 2.720 306 R HA 0.715 5.055 4.340 -0.000 0.000 0.272 306 R C -1.022 175.313 176.300 0.058 0.000 0.991 306 R CA -1.052 55.044 56.100 -0.006 0.000 1.010 306 R CB 1.851 32.149 30.300 -0.003 0.000 1.141 306 R HN 0.842 nan 8.270 nan 0.000 0.494 307 I N 0.015 120.523 120.570 -0.103 0.000 2.493 307 I HA 0.414 4.584 4.170 -0.000 0.000 0.298 307 I C 1.174 177.076 176.117 -0.358 0.000 0.998 307 I CA 0.068 61.203 61.300 -0.275 0.000 1.137 307 I CB 1.944 39.772 38.000 -0.286 0.000 1.310 307 I HN 0.822 nan 8.210 nan 0.000 0.445 308 G N 5.239 113.678 108.800 -0.601 0.000 3.586 308 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.212 308 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.212 308 G C -0.170 174.623 174.900 -0.179 0.000 1.411 308 G CA 0.429 45.312 45.100 -0.363 0.000 0.898 308 G HN 0.906 nan 8.290 nan 0.000 0.575 309 N N -0.765 117.864 118.700 -0.119 0.000 2.732 309 N HA 0.730 5.470 4.740 -0.000 0.000 0.259 309 N C 0.875 176.366 175.510 -0.031 0.000 1.402 309 N CA 0.607 53.625 53.050 -0.054 0.000 0.829 309 N CB 0.936 39.405 38.487 -0.030 0.000 1.495 309 N HN 1.118 nan 8.380 nan 0.000 0.511 310 A N -0.191 122.627 122.820 -0.003 0.000 2.042 310 A HA -0.175 4.145 4.320 -0.000 0.000 0.222 310 A C 1.617 179.205 177.584 0.008 0.000 1.167 310 A CA 1.580 53.626 52.037 0.015 0.000 0.649 310 A CB -0.643 18.370 19.000 0.022 0.000 0.809 310 A HN 0.492 nan 8.150 nan 0.000 0.457 311 K N -1.451 118.946 120.400 -0.004 0.000 2.404 311 K HA 0.401 4.721 4.320 -0.000 0.000 0.194 311 K C 0.747 177.335 176.600 -0.020 0.000 1.023 311 K CA 0.587 56.871 56.287 -0.006 0.000 1.094 311 K CB -0.571 31.925 32.500 -0.005 0.000 0.841 311 K HN 1.818 nan 8.250 nan 0.000 0.523 312 G N 1.648 110.427 108.800 -0.035 0.000 2.879 312 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.686 312 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.686 312 G C -1.185 173.683 174.900 -0.053 0.000 1.115 312 G CA -0.318 44.748 45.100 -0.057 0.000 0.770 312 G HN 0.287 nan 8.290 nan 0.000 0.601 313 D N 1.951 122.309 120.400 -0.071 0.000 2.460 313 D HA 0.382 5.022 4.640 -0.000 0.000 0.232 313 D C 1.095 177.375 176.300 -0.034 0.000 1.079 313 D CA -0.580 53.390 54.000 -0.051 0.000 0.864 313 D CB 0.879 41.636 40.800 -0.072 0.000 1.048 313 D HN 0.254 nan 8.370 nan 0.000 0.523 314 D N 2.928 123.317 120.400 -0.018 0.000 2.133 314 D HA -0.186 4.454 4.640 -0.000 0.000 0.195 314 D C 1.802 178.109 176.300 0.013 0.000 0.997 314 D CA 1.403 55.399 54.000 -0.007 0.000 0.840 314 D CB -0.008 40.791 40.800 -0.002 0.000 0.947 314 D HN 0.570 nan 8.370 nan 0.000 0.452 315 A N 0.766 123.599 122.820 0.021 0.000 1.877 315 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 315 A C 2.446 180.069 177.584 0.065 0.000 1.186 315 A CA 1.029 53.091 52.037 0.042 0.000 0.620 315 A CB -0.852 18.172 19.000 0.040 0.000 0.822 315 A HN 0.213 nan 8.150 nan 0.000 0.443 316 L N -0.946 120.313 121.223 0.059 0.000 2.093 316 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 316 L C 2.626 179.589 176.870 0.155 0.000 1.085 316 L CA 1.533 56.452 54.840 0.132 0.000 0.755 316 L CB -0.528 41.583 42.059 0.086 0.000 0.904 316 L HN 0.504 nan 8.230 nan 0.000 0.435 317 E N 0.098 120.321 120.200 0.039 0.000 2.047 317 E HA -0.260 4.090 4.350 -0.000 0.000 0.191 317 E C 2.095 178.733 176.600 0.064 0.000 0.987 317 E CA 1.111 57.508 56.400 -0.005 0.000 0.799 317 E CB 0.053 29.706 29.700 -0.079 0.000 0.752 317 E HN 0.280 nan 8.360 nan 0.000 0.449 318 K N 1.379 121.817 120.400 0.062 0.000 2.032 318 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 318 K C 2.198 178.870 176.600 0.120 0.000 1.048 318 K CA 1.472 57.802 56.287 0.073 0.000 0.927 318 K CB -0.022 32.512 32.500 0.056 0.000 0.712 318 K HN -0.114 nan 8.250 nan 0.000 0.441 319 R N -0.708 119.890 120.500 0.164 0.000 2.081 319 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 319 R C 2.201 178.670 176.300 0.281 0.000 1.131 319 R CA 1.616 57.858 56.100 0.238 0.000 0.960 319 R CB -0.399 30.062 30.300 0.267 0.000 0.856 319 R HN 0.300 nan 8.270 nan 0.000 0.436 320 F N 1.196 121.114 119.950 -0.052 0.000 2.025 320 F HA -0.276 4.251 4.527 0.000 0.000 0.297 320 F C 1.890 177.673 175.800 -0.028 0.000 1.132 320 F CA 1.801 59.548 58.000 -0.422 0.000 1.191 320 F CB -0.342 38.296 39.000 -0.602 0.000 0.963 320 F HN -0.031 nan 8.300 nan 0.000 0.481 321 L N -0.109 121.261 121.223 0.245 0.000 2.042 321 L HA -0.255 4.085 4.340 -0.000 0.000 0.210 321 L C 2.178 179.058 176.870 0.017 0.000 1.076 321 L CA 1.500 56.412 54.840 0.119 0.000 0.749 321 L CB -0.963 41.157 42.059 0.102 0.000 0.893 321 L HN 0.152 nan 8.230 nan 0.000 0.432 322 D N 0.212 120.646 120.400 0.057 0.000 2.127 322 D HA -0.201 4.439 4.640 -0.000 0.000 0.190 322 D C 2.217 178.529 176.300 0.020 0.000 1.000 322 D CA 1.313 55.342 54.000 0.048 0.000 0.839 322 D CB -0.110 40.744 40.800 0.090 0.000 0.955 322 D HN 0.102 nan 8.370 nan 0.000 0.446 323 K N 0.539 120.984 120.400 0.075 0.000 2.057 323 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 323 K C 2.088 178.545 176.600 -0.238 0.000 1.050 323 K CA 0.920 57.254 56.287 0.078 0.000 0.935 323 K CB -0.771 31.965 32.500 0.392 0.000 0.715 323 K HN 0.123 nan 8.250 nan 0.000 0.439 324 A N 1.861 124.368 122.820 -0.521 0.000 1.884 324 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 324 A C 2.241 179.567 177.584 -0.430 0.000 1.197 324 A CA 1.831 53.348 52.037 -0.867 0.000 0.637 324 A CB -0.800 17.814 19.000 -0.644 0.000 0.827 324 A HN 0.239 nan 8.150 nan 0.000 0.450 325 L N -0.156 120.926 121.223 -0.235 0.000 2.083 325 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 325 L C 2.217 179.011 176.870 -0.127 0.000 1.083 325 L CA 2.619 57.371 54.840 -0.147 0.000 0.752 325 L CB -0.621 41.389 42.059 -0.082 0.000 0.899 325 L HN 0.606 nan 8.230 nan 0.000 0.433 326 E N -0.913 119.222 120.200 -0.109 0.000 2.274 326 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 326 E C 1.683 178.231 176.600 -0.088 0.000 0.996 326 E CA 0.403 56.763 56.400 -0.067 0.000 0.840 326 E CB -0.013 29.673 29.700 -0.023 0.000 0.772 326 E HN 0.532 nan 8.360 nan 0.000 0.491 327 L N 1.054 122.181 121.223 -0.161 0.000 2.653 327 L HA 0.110 4.450 4.340 -0.000 0.000 0.232 327 L C 0.059 176.838 176.870 -0.152 0.000 1.169 327 L CA -0.149 54.595 54.840 -0.160 0.000 0.951 327 L CB -0.145 41.763 42.059 -0.252 0.000 1.181 327 L HN 0.132 nan 8.230 nan 0.000 0.460 328 N N 0.312 118.927 118.700 -0.142 0.000 2.741 328 N HA -0.195 4.545 4.740 -0.000 0.000 0.250 328 N C -0.084 175.326 175.510 -0.166 0.000 1.115 328 N CA 1.094 54.060 53.050 -0.140 0.000 0.724 328 N CB -0.999 37.426 38.487 -0.103 0.000 1.090 328 N HN 0.418 nan 8.380 nan 0.000 0.558 329 M N 0.925 120.425 119.600 -0.167 0.000 2.080 329 M HA 0.348 4.828 4.480 -0.000 0.000 0.350 329 M C -0.000 176.251 176.300 -0.081 0.000 1.173 329 M CA -0.245 55.017 55.300 -0.063 0.000 1.052 329 M CB 1.066 33.639 32.600 -0.044 0.000 1.577 329 M HN -0.063 nan 8.290 nan 0.000 0.455 330 L N 1.989 123.149 121.223 -0.106 0.000 2.322 330 L HA 0.514 4.854 4.340 -0.000 0.000 0.269 330 L C 0.809 177.721 176.870 0.071 0.000 1.012 330 L CA -0.151 54.604 54.840 -0.142 0.000 0.815 330 L CB 1.914 43.682 42.059 -0.486 0.000 1.295 330 L HN 0.876 nan 8.230 nan 0.000 0.438 331 S N 0.864 116.614 115.700 0.083 0.000 3.787 331 S HA -0.126 4.344 4.470 -0.000 0.000 0.321 331 S C 0.438 175.129 174.600 0.150 0.000 1.119 331 S CA 0.806 59.096 58.200 0.151 0.000 0.918 331 S CB -1.279 62.066 63.200 0.242 0.000 0.913 331 S HN 0.589 nan 8.310 nan 0.000 0.506 332 L N 0.033 121.306 121.223 0.083 0.000 2.616 332 L HA 0.348 4.688 4.340 -0.000 0.000 0.229 332 L C 1.237 178.092 176.870 -0.025 0.000 1.110 332 L CA 0.057 54.914 54.840 0.028 0.000 0.884 332 L CB 0.011 42.076 42.059 0.010 0.000 1.115 332 L HN 0.256 nan 8.230 nan 0.000 0.481 333 K N 1.593 121.990 120.400 -0.004 0.000 2.447 333 K HA 0.169 4.489 4.320 -0.000 0.000 0.281 333 K C 0.619 177.192 176.600 -0.044 0.000 1.031 333 K CA -0.128 56.137 56.287 -0.036 0.000 1.019 333 K CB 0.636 33.127 32.500 -0.015 0.000 0.918 333 K HN 0.094 nan 8.250 nan 0.000 0.476 334 G N 2.650 111.394 108.800 -0.094 0.000 2.554 334 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.238 334 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.238 334 G C -0.419 174.484 174.900 0.004 0.000 1.259 334 G CA -0.350 44.714 45.100 -0.060 0.000 0.843 334 G HN 0.796 nan 8.290 nan 0.000 0.582 335 H N 1.329 120.374 119.070 -0.041 0.000 2.928 335 H HA 0.114 4.670 4.556 -0.000 0.000 0.338 335 H C 2.080 177.393 175.328 -0.024 0.000 1.047 335 H CA 0.616 56.649 56.048 -0.024 0.000 1.435 335 H CB 0.643 30.381 29.762 -0.041 0.000 1.428 335 H HN 0.679 nan 8.280 nan 0.000 0.590 336 R N 2.955 123.187 120.500 -0.446 0.000 2.174 336 R HA -0.172 4.168 4.340 -0.000 0.000 0.253 336 R C 2.275 178.557 176.300 -0.029 0.000 1.165 336 R CA 2.026 57.991 56.100 -0.226 0.000 0.984 336 R CB -1.621 28.512 30.300 -0.278 0.000 0.873 336 R HN 0.765 nan 8.270 nan 0.000 0.456 337 S N -1.270 114.528 115.700 0.164 0.000 2.671 337 S HA 0.308 4.778 4.470 -0.000 0.000 0.220 337 S C 1.119 175.819 174.600 0.167 0.000 0.951 337 S CA 0.630 58.949 58.200 0.199 0.000 0.932 337 S CB 0.648 64.010 63.200 0.270 0.000 0.777 337 S HN 0.337 nan 8.310 nan 0.000 0.508 338 V N -0.674 119.316 119.914 0.126 0.000 3.221 338 V HA 0.424 4.544 4.120 -0.000 0.000 0.254 338 V C 1.326 177.443 176.094 0.039 0.000 1.586 338 V CA 0.159 62.516 62.300 0.095 0.000 1.074 338 V CB -0.359 31.516 31.823 0.087 0.000 0.912 338 V HN 0.731 nan 8.190 nan 0.000 0.426 339 G N 0.550 109.358 108.800 0.013 0.000 2.749 339 G HA2 0.272 4.232 3.960 -0.000 0.000 0.242 339 G HA3 0.272 4.232 3.960 -0.000 0.000 0.242 339 G C 0.756 175.614 174.900 -0.070 0.000 1.364 339 G CA 0.082 45.165 45.100 -0.029 0.000 0.888 339 G HN 1.896 nan 8.290 nan 0.000 0.566 340 G N -1.695 107.040 108.800 -0.109 0.000 2.528 340 G HA2 0.163 4.123 3.960 -0.000 0.000 0.262 340 G HA3 0.163 4.123 3.960 -0.000 0.000 0.262 340 G C -0.144 174.581 174.900 -0.290 0.000 1.200 340 G CA 0.820 45.800 45.100 -0.200 0.000 0.951 340 G HN 1.849 nan 8.290 nan 0.000 0.566 341 I N 0.463 120.723 120.570 -0.517 0.000 2.646 341 I HA 0.763 4.933 4.170 -0.000 0.000 0.299 341 I C 0.366 176.124 176.117 -0.598 0.000 1.036 341 I CA -0.604 60.291 61.300 -0.676 0.000 1.074 341 I CB 2.128 39.383 38.000 -1.243 0.000 1.258 341 I HN 0.764 nan 8.210 nan 0.000 0.430 342 R N 3.810 124.111 120.500 -0.332 0.000 2.533 342 R HA 0.827 5.167 4.340 -0.000 0.000 0.288 342 R C -1.670 174.594 176.300 -0.059 0.000 1.039 342 R CA -0.668 55.340 56.100 -0.154 0.000 0.909 342 R CB 1.699 31.974 30.300 -0.041 0.000 1.195 342 R HN 0.754 nan 8.270 nan 0.000 0.438 343 A N 3.081 125.902 122.820 0.002 0.000 2.253 343 A HA 0.444 4.764 4.320 -0.000 0.000 0.316 343 A C -0.578 177.022 177.584 0.026 0.000 1.327 343 A CA -0.433 51.606 52.037 0.003 0.000 0.917 343 A CB 1.057 20.027 19.000 -0.049 0.000 1.162 343 A HN 0.666 nan 8.150 nan 0.000 0.535 344 S N 1.984 117.728 115.700 0.073 0.000 2.537 344 S HA 0.511 4.981 4.470 -0.000 0.000 0.275 344 S C 0.188 174.732 174.600 -0.093 0.000 1.272 344 S CA -0.305 57.831 58.200 -0.106 0.000 1.050 344 S CB 0.506 63.662 63.200 -0.074 0.000 0.961 344 S HN 0.597 nan 8.310 nan 0.000 0.496 345 L N 2.981 124.011 121.223 -0.322 0.000 3.186 345 L HA 0.322 4.662 4.340 -0.000 0.000 0.317 345 L C -0.905 175.902 176.870 -0.106 0.000 1.296 345 L CA -0.448 54.333 54.840 -0.099 0.000 0.870 345 L CB -0.156 41.885 42.059 -0.030 0.000 1.302 345 L HN 0.589 nan 8.230 nan 0.000 0.590 346 Y N -0.063 120.297 120.300 0.099 0.000 2.379 346 Y HA -0.067 4.483 4.550 -0.000 0.000 0.354 346 Y C 1.926 177.878 175.900 0.086 0.000 1.269 346 Y CA 0.194 58.342 58.100 0.080 0.000 1.532 346 Y CB 0.131 38.623 38.460 0.054 0.000 1.371 346 Y HN 0.126 nan 8.280 nan 0.000 0.666 347 N N 0.333 119.208 118.700 0.291 0.000 2.094 347 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 347 N C 1.718 177.380 175.510 0.254 0.000 1.023 347 N CA 1.698 54.913 53.050 0.274 0.000 0.857 347 N CB -0.628 38.053 38.487 0.322 0.000 1.013 347 N HN 0.723 nan 8.380 nan 0.000 0.426 348 A N 0.363 123.238 122.820 0.092 0.000 2.066 348 A HA 0.064 4.384 4.320 -0.000 0.000 0.218 348 A C 0.743 178.336 177.584 0.015 0.000 1.157 348 A CA 0.201 52.194 52.037 -0.072 0.000 0.670 348 A CB -0.041 18.843 19.000 -0.192 0.000 0.804 348 A HN 0.051 nan 8.150 nan 0.000 0.453 349 V N 2.732 122.690 119.914 0.074 0.000 2.415 349 V HA 0.213 4.333 4.120 -0.000 0.000 0.267 349 V C 1.024 177.160 176.094 0.071 0.000 1.042 349 V CA 0.199 62.517 62.300 0.031 0.000 1.000 349 V CB -0.039 31.813 31.823 0.048 0.000 1.015 349 V HN 0.580 nan 8.190 nan 0.000 0.478 350 T N 2.529 117.113 114.554 0.050 0.000 2.788 350 T HA 0.386 4.736 4.350 -0.000 0.000 0.287 350 T C 1.278 176.029 174.700 0.086 0.000 1.007 350 T CA -0.475 61.677 62.100 0.087 0.000 1.005 350 T CB 0.827 69.742 68.868 0.078 0.000 1.012 350 T HN 0.328 nan 8.240 nan 0.000 0.530 351 I N 0.258 120.880 120.570 0.085 0.000 2.454 351 I HA -0.105 4.065 4.170 -0.000 0.000 0.254 351 I C 2.788 178.950 176.117 0.075 0.000 1.156 351 I CA 1.589 62.935 61.300 0.077 0.000 1.433 351 I CB -0.415 37.623 38.000 0.063 0.000 1.082 351 I HN 0.877 nan 8.210 nan 0.000 0.432 352 E N 1.161 121.401 120.200 0.065 0.000 2.106 352 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 352 E C 1.594 178.237 176.600 0.072 0.000 0.984 352 E CA 1.357 57.792 56.400 0.059 0.000 0.806 352 E CB 0.159 29.884 29.700 0.042 0.000 0.750 352 E HN 0.378 nan 8.360 nan 0.000 0.458 353 D N 0.108 120.548 120.400 0.065 0.000 2.084 353 D HA -0.146 4.494 4.640 -0.000 0.000 0.194 353 D C 2.048 178.498 176.300 0.251 0.000 0.990 353 D CA 1.170 55.216 54.000 0.077 0.000 0.826 353 D CB -0.323 40.428 40.800 -0.081 0.000 0.971 353 D HN 0.102 nan 8.370 nan 0.000 0.453 354 V N 0.554 120.612 119.914 0.240 0.000 2.490 354 V HA -0.245 3.874 4.120 -0.000 0.000 0.250 354 V C 2.494 178.683 176.094 0.158 0.000 1.061 354 V CA 1.480 63.932 62.300 0.254 0.000 1.064 354 V CB -0.482 31.439 31.823 0.162 0.000 0.670 354 V HN 0.146 nan 8.190 nan 0.000 0.461 355 Q N -0.147 119.728 119.800 0.125 0.000 2.084 355 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 355 Q C 2.298 178.360 176.000 0.103 0.000 0.978 355 Q CA 1.747 57.605 55.803 0.093 0.000 0.844 355 Q CB -0.083 28.700 28.738 0.075 0.000 0.898 355 Q HN 0.595 nan 8.270 nan 0.000 0.426 356 K N -0.266 120.210 120.400 0.126 0.000 2.097 356 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 356 K C 1.927 178.617 176.600 0.151 0.000 1.050 356 K CA 0.937 57.302 56.287 0.130 0.000 0.938 356 K CB -0.168 32.405 32.500 0.122 0.000 0.718 356 K HN 0.135 nan 8.250 nan 0.000 0.442 357 L N 1.173 122.494 121.223 0.164 0.000 2.046 357 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 357 L C 2.134 179.073 176.870 0.115 0.000 1.077 357 L CA 1.806 56.686 54.840 0.066 0.000 0.747 357 L CB -0.744 41.215 42.059 -0.167 0.000 0.896 357 L HN 0.113 nan 8.230 nan 0.000 0.432 358 A N -0.342 122.527 122.820 0.081 0.000 1.873 358 A HA -0.035 4.285 4.320 -0.000 0.000 0.215 358 A C 2.489 180.129 177.584 0.093 0.000 1.186 358 A CA 1.816 53.886 52.037 0.054 0.000 0.616 358 A CB -1.280 17.739 19.000 0.032 0.000 0.823 358 A HN 0.581 nan 8.150 nan 0.000 0.442 359 A N -0.833 122.055 122.820 0.112 0.000 1.892 359 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 359 A C 2.071 179.751 177.584 0.159 0.000 1.188 359 A CA 1.947 54.054 52.037 0.117 0.000 0.631 359 A CB -0.894 18.174 19.000 0.113 0.000 0.822 359 A HN 0.766 nan 8.150 nan 0.000 0.447 360 F N 0.143 120.118 119.950 0.043 0.000 2.095 360 F HA -0.219 4.308 4.527 0.000 0.000 0.298 360 F C 2.345 178.232 175.800 0.146 0.000 1.104 360 F CA 2.214 60.240 58.000 0.043 0.000 1.232 360 F CB -0.405 38.557 39.000 -0.063 0.000 0.987 360 F HN 0.188 nan 8.300 nan 0.000 0.475 361 M N 0.047 119.702 119.600 0.091 0.000 2.108 361 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 361 M C 2.083 178.534 176.300 0.252 0.000 1.066 361 M CA 2.025 57.427 55.300 0.170 0.000 1.107 361 M CB -0.407 32.202 32.600 0.015 0.000 1.356 361 M HN 0.031 nan 8.290 nan 0.000 0.406 362 K N 0.098 120.579 120.400 0.136 0.000 2.009 362 K HA -0.165 4.155 4.320 -0.000 0.000 0.210 362 K C 2.056 178.683 176.600 0.045 0.000 1.049 362 K CA 1.293 57.639 56.287 0.099 0.000 0.929 362 K CB -0.247 32.287 32.500 0.057 0.000 0.714 362 K HN 0.193 nan 8.250 nan 0.000 0.440 363 K N 0.072 120.486 120.400 0.024 0.000 2.097 363 K HA -0.120 4.200 4.320 -0.000 0.000 0.205 363 K C 2.024 178.597 176.600 -0.046 0.000 1.050 363 K CA 1.087 57.364 56.287 -0.018 0.000 0.938 363 K CB -0.088 32.419 32.500 0.013 0.000 0.718 363 K HN 0.066 nan 8.250 nan 0.000 0.442 364 F N 1.469 121.300 119.950 -0.198 0.000 2.146 364 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 364 F C 2.000 177.800 175.800 0.001 0.000 1.096 364 F CA 0.986 58.938 58.000 -0.079 0.000 1.275 364 F CB -0.109 38.765 39.000 -0.211 0.000 1.008 364 F HN -0.036 nan 8.300 nan 0.000 0.480 365 L N -0.067 121.178 121.223 0.038 0.000 2.131 365 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 365 L C 2.247 178.802 176.870 -0.526 0.000 1.092 365 L CA 1.687 56.152 54.840 -0.626 0.000 0.759 365 L CB -0.394 41.414 42.059 -0.420 0.000 0.903 365 L HN 0.201 nan 8.230 nan 0.000 0.435 366 E N -1.034 119.001 120.200 -0.276 0.000 2.028 366 E HA -0.208 4.142 4.350 -0.000 0.000 0.190 366 E C 2.213 178.645 176.600 -0.279 0.000 0.984 366 E CA 1.763 58.022 56.400 -0.234 0.000 0.800 366 E CB 0.067 29.681 29.700 -0.143 0.000 0.758 366 E HN 0.307 nan 8.360 nan 0.000 0.448 367 M N -0.759 118.642 119.600 -0.332 0.000 2.460 367 M HA -0.033 4.447 4.480 -0.000 0.000 0.263 367 M C 0.889 176.778 176.300 -0.685 0.000 1.071 367 M CA 1.412 56.426 55.300 -0.476 0.000 1.096 367 M CB -0.723 31.559 32.600 -0.529 0.000 1.408 367 M HN 0.304 nan 8.290 nan 0.000 0.463 368 H N -2.759 116.078 119.070 -0.389 0.000 3.233 368 H HA 0.345 4.901 4.556 -0.000 0.000 0.263 368 H C 0.852 176.079 175.328 -0.167 0.000 1.168 368 H CA -0.212 55.660 56.048 -0.294 0.000 1.159 368 H CB 0.662 30.187 29.762 -0.395 0.000 1.593 368 H HN 0.436 nan 8.280 nan 0.000 0.580 369 Q N 1.678 121.329 119.800 -0.249 0.000 2.243 369 Q HA 0.559 4.899 4.340 -0.000 0.000 0.252 369 Q C -0.721 175.230 176.000 -0.082 0.000 0.909 369 Q CA -0.343 55.341 55.803 -0.198 0.000 0.922 369 Q CB 1.083 29.518 28.738 -0.505 0.000 1.215 369 Q HN 0.304 nan 8.270 nan 0.000 0.427 370 L N 0.000 121.226 121.223 0.005 0.000 2.949 370 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 370 L CA 0.000 54.841 54.840 0.002 0.000 0.813 370 L CB 0.000 42.076 42.059 0.029 0.000 0.961 370 L HN 0.000 nan 8.230 nan 0.000 0.502