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 1v9l_1_F DATA FIRST_RESID 4 DATA SEQUENCE TGFLEYVLNY VKKGVELGGF PEDFYKILSR PRRVLIVNIP VRLDGGGFEV DATA SEQUENCE FEGYRVQHCD VLGPYKGGVR FHPEVTLADD VALAILMTLK NSLAGLPYGG DATA SEQUENCE AKGAVRVDPK KLSQRELEEL SRGYARAIAP LIGDVVDIPA PDVGTNAQIM DATA SEQUENCE AWMVDEYSKI KGYNVPGVFT SKPPELWGNP VREYATGFGV AVATREMAKK DATA SEQUENCE LWGGIEGKTV AIQGMGNVGR WTAYWLEKMG AKVIAVSDIN GVAYRKEGLN DATA SEQUENCE VELIQKNKGL TGPALVELFT TKDNAEFVKN PDAIFKLDVD IFVPAAIENV DATA SEQUENCE IRGDNAGLVK ARLVVEGANG PTTPEAERIL YERGVVVVPD ILANAGGVIM DATA SEQUENCE SYLEWVENLQ WYIWDEEETR KRLENIMVNN VERVYKRWQR EKGWTMRDAA DATA SEQUENCE IVTALERIYN AMKIRGWI 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.753 174.700 0.088 0.000 1.109 4 T CA 0.000 62.142 62.100 0.070 0.000 1.349 4 T CB 0.000 68.894 68.868 0.044 0.000 0.612 5 G N 0.657 109.522 108.800 0.109 0.000 2.421 5 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.217 5 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.217 5 G C 1.108 176.126 174.900 0.197 0.000 1.143 5 G CA 0.680 45.852 45.100 0.120 0.000 0.784 5 G HN 0.444 nan 8.290 nan 0.000 0.541 6 F N 0.672 120.653 119.950 0.051 0.000 2.335 6 F HA 0.327 4.854 4.527 -0.000 0.000 0.296 6 F C 2.055 177.931 175.800 0.127 0.000 1.091 6 F CA 0.180 58.231 58.000 0.085 0.000 1.399 6 F CB -0.093 38.930 39.000 0.037 0.000 1.067 6 F HN 0.055 nan 8.300 nan 0.000 0.520 7 L N 0.197 121.405 121.223 -0.025 0.000 2.109 7 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 7 L C 2.316 179.134 176.870 -0.088 0.000 1.086 7 L CA 1.884 56.637 54.840 -0.145 0.000 0.760 7 L CB -0.447 41.588 42.059 -0.041 0.000 0.910 7 L HN 0.199 nan 8.230 nan 0.000 0.437 8 E N -0.422 119.784 120.200 0.011 0.000 2.077 8 E HA -0.314 4.036 4.350 -0.000 0.000 0.193 8 E C 1.994 178.628 176.600 0.055 0.000 0.989 8 E CA 1.736 58.161 56.400 0.041 0.000 0.800 8 E CB -0.531 29.212 29.700 0.072 0.000 0.746 8 E HN 0.513 nan 8.360 nan 0.000 0.452 9 Y N 0.289 120.558 120.300 -0.052 0.000 2.089 9 Y HA -0.185 4.365 4.550 -0.000 0.000 0.282 9 Y C 2.167 178.024 175.900 -0.072 0.000 1.139 9 Y CA 1.949 60.026 58.100 -0.038 0.000 1.123 9 Y CB -0.619 37.849 38.460 0.014 0.000 0.980 9 Y HN -0.027 nan 8.280 nan 0.000 0.493 10 V N 0.630 120.391 119.914 -0.254 0.000 2.332 10 V HA -0.348 3.772 4.120 -0.000 0.000 0.248 10 V C 2.550 178.558 176.094 -0.144 0.000 1.055 10 V CA 2.109 64.244 62.300 -0.275 0.000 1.038 10 V CB -0.896 30.675 31.823 -0.419 0.000 0.651 10 V HN 0.463 nan 8.190 nan 0.000 0.450 11 L N -0.025 121.128 121.223 -0.116 0.000 2.131 11 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 11 L C 2.377 179.263 176.870 0.026 0.000 1.092 11 L CA 1.742 56.572 54.840 -0.017 0.000 0.759 11 L CB -0.583 41.490 42.059 0.023 0.000 0.903 11 L HN 0.405 nan 8.230 nan 0.000 0.435 12 N N -0.599 118.070 118.700 -0.051 0.000 2.171 12 N HA -0.231 4.509 4.740 -0.000 0.000 0.184 12 N C 1.787 177.240 175.510 -0.095 0.000 1.021 12 N CA 0.962 53.966 53.050 -0.076 0.000 0.854 12 N CB -0.221 38.215 38.487 -0.084 0.000 0.994 12 N HN 0.344 nan 8.380 nan 0.000 0.426 13 Y N -0.003 120.110 120.300 -0.311 0.000 2.207 13 Y HA -0.182 4.368 4.550 -0.000 0.000 0.287 13 Y C 1.859 177.657 175.900 -0.171 0.000 1.156 13 Y CA 1.066 58.987 58.100 -0.297 0.000 1.182 13 Y CB 0.024 38.249 38.460 -0.393 0.000 0.979 13 Y HN -0.103 nan 8.280 nan 0.000 0.521 14 V N 0.714 120.493 119.914 -0.225 0.000 2.379 14 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 14 V C 2.348 178.373 176.094 -0.116 0.000 1.044 14 V CA 2.016 64.176 62.300 -0.234 0.000 1.036 14 V CB -0.502 31.260 31.823 -0.102 0.000 0.664 14 V HN 0.306 nan 8.190 nan 0.000 0.453 15 K N -0.165 120.204 120.400 -0.052 0.000 2.057 15 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 15 K C 2.376 178.876 176.600 -0.166 0.000 1.049 15 K CA 1.197 57.379 56.287 -0.176 0.000 0.931 15 K CB -0.082 32.212 32.500 -0.344 0.000 0.714 15 K HN 0.198 nan 8.250 nan 0.000 0.440 16 K N -0.136 120.166 120.400 -0.163 0.000 2.020 16 K HA -0.149 4.171 4.320 -0.000 0.000 0.212 16 K C 2.108 178.606 176.600 -0.170 0.000 1.050 16 K CA 1.831 58.024 56.287 -0.156 0.000 0.929 16 K CB -0.713 31.703 32.500 -0.140 0.000 0.714 16 K HN 0.362 nan 8.250 nan 0.000 0.443 17 G N 0.482 109.154 108.800 -0.212 0.000 2.422 17 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 17 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 17 G C 1.645 176.542 174.900 -0.005 0.000 1.140 17 G CA 0.711 45.705 45.100 -0.178 0.000 0.775 17 G HN 0.156 nan 8.290 nan 0.000 0.545 18 V N 0.517 120.448 119.914 0.027 0.000 2.469 18 V HA -0.183 3.937 4.120 -0.000 0.000 0.251 18 V C 2.609 178.820 176.094 0.195 0.000 1.064 18 V CA 2.240 64.662 62.300 0.202 0.000 1.066 18 V CB -0.405 31.508 31.823 0.150 0.000 0.667 18 V HN 0.413 nan 8.190 nan 0.000 0.461 19 E N -0.074 120.145 120.200 0.032 0.000 2.051 19 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 19 E C 2.209 178.801 176.600 -0.013 0.000 0.979 19 E CA 0.796 57.193 56.400 -0.005 0.000 0.803 19 E CB -0.188 29.480 29.700 -0.053 0.000 0.761 19 E HN 0.465 nan 8.360 nan 0.000 0.451 20 L N -0.053 121.135 121.223 -0.058 0.000 2.127 20 L HA -0.154 4.186 4.340 -0.000 0.000 0.211 20 L C 2.286 179.194 176.870 0.063 0.000 1.089 20 L CA 1.247 56.042 54.840 -0.074 0.000 0.757 20 L CB -0.377 41.425 42.059 -0.429 0.000 0.899 20 L HN 0.272 nan 8.230 nan 0.000 0.434 21 G N -1.632 107.196 108.800 0.047 0.000 2.712 21 G HA2 0.147 4.107 3.960 -0.000 0.000 0.212 21 G HA3 0.147 4.107 3.960 -0.000 0.000 0.212 21 G C 1.213 175.733 174.900 -0.632 0.000 1.142 21 G CA 0.463 45.462 45.100 -0.168 0.000 0.789 21 G HN 0.520 nan 8.290 nan 0.000 0.535 22 G N -0.618 108.004 108.800 -0.297 0.000 2.176 22 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 22 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 22 G C 0.152 174.829 174.900 -0.372 0.000 1.024 22 G CA -0.023 44.911 45.100 -0.278 0.000 0.755 22 G HN 0.341 nan 8.290 nan 0.000 0.507 23 F N 1.247 121.100 119.950 -0.162 0.000 2.410 23 F HA 0.486 5.013 4.527 -0.000 0.000 0.334 23 F C -0.444 175.305 175.800 -0.085 0.000 1.134 23 F CA -1.797 56.027 58.000 -0.294 0.000 1.227 23 F CB 0.400 39.185 39.000 -0.357 0.000 1.194 23 F HN -0.033 nan 8.300 nan 0.000 0.571 24 P HA 0.038 nan 4.420 nan 0.000 0.272 24 P C -0.072 177.379 177.300 0.252 0.000 1.230 24 P CA -0.252 62.958 63.100 0.184 0.000 0.788 24 P CB 0.754 32.582 31.700 0.215 0.000 0.949 25 E N 0.337 120.648 120.200 0.185 0.000 2.204 25 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 25 E C 0.615 177.363 176.600 0.246 0.000 0.989 25 E CA 1.075 57.591 56.400 0.193 0.000 0.824 25 E CB -0.594 29.176 29.700 0.115 0.000 0.756 25 E HN 0.267 nan 8.360 nan 0.000 0.477 26 D N 0.704 121.242 120.400 0.230 0.000 2.149 26 D HA -0.179 4.461 4.640 -0.000 0.000 0.198 26 D C 1.424 177.889 176.300 0.274 0.000 0.990 26 D CA 1.007 55.137 54.000 0.218 0.000 0.839 26 D CB -0.387 40.536 40.800 0.205 0.000 0.948 26 D HN 0.324 nan 8.370 nan 0.000 0.460 27 F N -0.418 119.648 119.950 0.193 0.000 2.171 27 F HA -0.277 4.250 4.527 -0.000 0.000 0.300 27 F C 2.153 178.020 175.800 0.113 0.000 1.090 27 F CA 0.941 59.051 58.000 0.183 0.000 1.293 27 F CB -0.038 39.087 39.000 0.208 0.000 1.013 27 F HN -0.015 nan 8.300 nan 0.000 0.486 28 Y N 1.172 121.414 120.300 -0.096 0.000 2.220 28 Y HA -0.111 4.439 4.550 -0.000 0.000 0.291 28 Y C 2.300 178.120 175.900 -0.133 0.000 1.129 28 Y CA 1.729 59.709 58.100 -0.201 0.000 1.161 28 Y CB -0.513 37.901 38.460 -0.077 0.000 0.997 28 Y HN -0.072 nan 8.280 nan 0.000 0.522 29 K N -0.095 120.268 120.400 -0.062 0.000 2.009 29 K HA -0.187 4.133 4.320 -0.000 0.000 0.210 29 K C 1.820 178.319 176.600 -0.169 0.000 1.049 29 K CA 2.080 58.314 56.287 -0.088 0.000 0.929 29 K CB -0.269 32.256 32.500 0.041 0.000 0.714 29 K HN 0.272 nan 8.250 nan 0.000 0.440 30 I N 1.006 121.511 120.570 -0.108 0.000 2.252 30 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 30 I C 2.326 178.331 176.117 -0.187 0.000 1.102 30 I CA 1.305 62.549 61.300 -0.094 0.000 1.385 30 I CB -1.080 36.931 38.000 0.019 0.000 1.064 30 I HN 0.236 nan 8.210 nan 0.000 0.414 31 L N 1.072 122.105 121.223 -0.318 0.000 2.056 31 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 31 L C 2.557 179.280 176.870 -0.245 0.000 1.078 31 L CA 1.611 56.237 54.840 -0.356 0.000 0.749 31 L CB -0.159 41.528 42.059 -0.620 0.000 0.901 31 L HN 0.356 nan 8.230 nan 0.000 0.433 32 S N -0.850 114.569 115.700 -0.468 0.000 2.603 32 S HA 0.009 4.479 4.470 -0.000 0.000 0.229 32 S C 0.703 175.204 174.600 -0.164 0.000 0.972 32 S CA 0.030 57.984 58.200 -0.409 0.000 0.935 32 S CB -0.265 62.477 63.200 -0.762 0.000 0.769 32 S HN 0.330 nan 8.310 nan 0.000 0.536 33 R N 1.771 122.219 120.500 -0.087 0.000 2.628 33 R HA 0.431 4.771 4.340 -0.000 0.000 0.288 33 R C -3.159 173.152 176.300 0.019 0.000 0.980 33 R CA -2.215 53.864 56.100 -0.035 0.000 0.891 33 R CB 1.542 31.799 30.300 -0.071 0.000 1.188 33 R HN 0.155 nan 8.270 nan 0.000 0.450 34 P HA 0.061 nan 4.420 nan 0.000 0.271 34 P C 0.060 177.355 177.300 -0.008 0.000 1.233 34 P CA -0.146 63.007 63.100 0.087 0.000 0.764 34 P CB 1.190 32.926 31.700 0.061 0.000 0.825 35 R N 4.117 124.603 120.500 -0.023 0.000 2.117 35 R HA -0.105 4.235 4.340 -0.000 0.000 0.243 35 R C 0.796 177.083 176.300 -0.021 0.000 1.143 35 R CA 1.605 57.697 56.100 -0.014 0.000 0.968 35 R CB 0.017 30.361 30.300 0.073 0.000 0.863 35 R HN 0.512 nan 8.270 nan 0.000 0.444 36 R N -1.514 118.959 120.500 -0.045 0.000 2.629 36 R HA 0.406 4.746 4.340 -0.000 0.000 0.266 36 R C -2.026 174.219 176.300 -0.092 0.000 1.051 36 R CA -0.687 55.373 56.100 -0.067 0.000 0.895 36 R CB 2.088 32.346 30.300 -0.072 0.000 1.246 36 R HN -0.014 nan 8.270 nan 0.000 0.459 37 V N 4.817 124.693 119.914 -0.064 0.000 2.610 37 V HA 0.354 4.474 4.120 -0.000 0.000 0.298 37 V C -0.669 175.414 176.094 -0.020 0.000 1.067 37 V CA -0.719 61.548 62.300 -0.055 0.000 0.894 37 V CB 1.829 33.609 31.823 -0.071 0.000 1.015 37 V HN 0.636 nan 8.190 nan 0.000 0.432 38 L N 6.011 127.241 121.223 0.011 0.000 2.272 38 L HA 0.634 4.974 4.340 -0.000 0.000 0.289 38 L C -0.839 176.107 176.870 0.126 0.000 1.032 38 L CA -0.398 54.471 54.840 0.048 0.000 0.810 38 L CB 1.292 43.370 42.059 0.033 0.000 1.205 38 L HN 0.575 nan 8.230 nan 0.000 0.422 39 I N 5.382 126.024 120.570 0.120 0.000 2.441 39 I HA 0.519 4.689 4.170 -0.000 0.000 0.295 39 I C -0.384 175.823 176.117 0.150 0.000 0.994 39 I CA -0.777 60.635 61.300 0.187 0.000 1.144 39 I CB 1.970 40.054 38.000 0.140 0.000 1.314 39 I HN 0.313 nan 8.210 nan 0.000 0.445 40 V N 2.122 122.142 119.914 0.177 0.000 3.049 40 V HA 0.584 4.704 4.120 -0.000 0.000 0.309 40 V C -1.158 175.015 176.094 0.133 0.000 1.148 40 V CA -0.735 61.646 62.300 0.135 0.000 0.990 40 V CB 2.228 34.128 31.823 0.129 0.000 1.039 40 V HN 0.688 nan 8.190 nan 0.000 0.430 41 N N 3.742 122.504 118.700 0.103 0.000 2.476 41 N HA 0.519 5.259 4.740 -0.000 0.000 0.257 41 N C -1.013 174.548 175.510 0.086 0.000 0.970 41 N CA -0.374 52.728 53.050 0.086 0.000 0.938 41 N CB 1.865 40.389 38.487 0.061 0.000 1.144 41 N HN 0.698 nan 8.380 nan 0.000 0.500 42 I N 3.637 124.271 120.570 0.106 0.000 2.297 42 I HA 0.307 4.477 4.170 -0.000 0.000 0.291 42 I C -2.147 174.007 176.117 0.063 0.000 1.033 42 I CA -2.507 58.859 61.300 0.110 0.000 1.253 42 I CB 0.447 38.538 38.000 0.151 0.000 1.396 42 I HN 0.120 nan 8.210 nan 0.000 0.476 43 P HA 0.395 nan 4.420 nan 0.000 0.285 43 P C -0.752 176.429 177.300 -0.197 0.000 1.259 43 P CA -0.308 62.649 63.100 -0.238 0.000 0.794 43 P CB 2.283 33.938 31.700 -0.075 0.000 0.940 44 V N 4.031 123.741 119.914 -0.339 0.000 2.760 44 V HA 0.378 4.498 4.120 -0.000 0.000 0.309 44 V C 0.406 176.390 176.094 -0.183 0.000 1.077 44 V CA -0.850 61.378 62.300 -0.121 0.000 0.910 44 V CB 2.521 34.406 31.823 0.104 0.000 1.008 44 V HN 0.513 nan 8.190 nan 0.000 0.424 45 R N 4.244 124.725 120.500 -0.032 0.000 2.220 45 R HA 0.469 4.809 4.340 -0.000 0.000 0.340 45 R C -0.454 175.863 176.300 0.029 0.000 1.076 45 R CA -0.292 55.837 56.100 0.049 0.000 0.920 45 R CB 0.206 30.569 30.300 0.105 0.000 1.062 45 R HN 0.662 nan 8.270 nan 0.000 0.469 46 L N 2.864 124.105 121.223 0.030 0.000 2.468 46 L HA 0.019 4.359 4.340 -0.000 0.000 0.253 46 L C 1.246 178.131 176.870 0.026 0.000 1.237 46 L CA -0.391 54.467 54.840 0.030 0.000 0.823 46 L CB 0.376 42.456 42.059 0.035 0.000 1.124 46 L HN 0.590 nan 8.230 nan 0.000 0.504 47 D N 0.733 121.142 120.400 0.016 0.000 2.202 47 D HA -0.017 4.623 4.640 -0.000 0.000 0.214 47 D C 1.227 177.536 176.300 0.014 0.000 0.967 47 D CA 0.983 54.989 54.000 0.010 0.000 0.871 47 D CB -0.030 40.771 40.800 0.002 0.000 1.020 47 D HN 0.712 nan 8.370 nan 0.000 0.474 48 G N -0.239 108.570 108.800 0.014 0.000 3.213 48 G HA2 0.441 4.401 3.960 -0.000 0.000 0.263 48 G HA3 0.441 4.401 3.960 -0.000 0.000 0.263 48 G C 0.654 175.565 174.900 0.019 0.000 0.829 48 G CA 0.455 45.563 45.100 0.014 0.000 1.983 48 G HN 0.457 nan 8.290 nan 0.000 0.616 49 G N -0.054 108.760 108.800 0.024 0.000 1.954 49 G HA2 0.411 4.371 3.960 -0.000 0.000 0.169 49 G HA3 0.411 4.371 3.960 -0.000 0.000 0.169 49 G C 0.526 175.455 174.900 0.048 0.000 1.013 49 G CA 0.420 45.539 45.100 0.032 0.000 1.258 49 G HN 1.612 nan 8.290 nan 0.000 0.442 50 G N -1.063 107.784 108.800 0.078 0.000 4.681 50 G HA2 0.519 4.479 3.960 -0.000 0.000 0.220 50 G HA3 0.519 4.479 3.960 -0.000 0.000 0.220 50 G C -0.485 174.567 174.900 0.253 0.000 0.713 50 G CA 0.747 45.918 45.100 0.119 0.000 1.021 50 G HN 1.598 nan 8.290 nan 0.000 0.751 51 F N 0.122 120.057 119.950 -0.024 0.000 2.686 51 F HA 0.565 5.092 4.527 -0.000 0.000 0.315 51 F C -1.826 173.916 175.800 -0.097 0.000 1.088 51 F CA -0.571 57.403 58.000 -0.044 0.000 1.034 51 F CB 2.009 40.984 39.000 -0.042 0.000 1.280 51 F HN 0.071 nan 8.300 nan 0.000 0.463 52 E N 3.335 123.081 120.200 -0.758 0.000 2.378 52 E HA 0.625 4.975 4.350 -0.000 0.000 0.283 52 E C -2.114 173.908 176.600 -0.964 0.000 0.979 52 E CA -0.547 55.431 56.400 -0.702 0.000 0.795 52 E CB 2.255 31.551 29.700 -0.673 0.000 1.221 52 E HN 0.337 nan 8.360 nan 0.000 0.428 53 V N 4.874 124.343 119.914 -0.742 0.000 2.334 53 V HA 0.512 4.632 4.120 -0.000 0.000 0.281 53 V C -0.527 175.262 176.094 -0.509 0.000 1.016 53 V CA -0.559 61.440 62.300 -0.502 0.000 0.832 53 V CB 0.269 31.973 31.823 -0.198 0.000 0.999 53 V HN 0.537 nan 8.190 nan 0.000 0.439 54 F N 2.094 121.957 119.950 -0.145 0.000 2.385 54 F HA 0.441 4.968 4.527 -0.000 0.000 0.336 54 F C 0.758 176.507 175.800 -0.085 0.000 1.100 54 F CA -0.412 57.509 58.000 -0.132 0.000 1.116 54 F CB 0.941 39.827 39.000 -0.190 0.000 1.166 54 F HN 0.412 nan 8.300 nan 0.000 0.511 55 E N 1.264 121.516 120.200 0.086 0.000 2.249 55 E HA 0.599 4.949 4.350 -0.000 0.000 0.280 55 E C -0.286 176.319 176.600 0.008 0.000 1.016 55 E CA -0.345 56.094 56.400 0.064 0.000 0.830 55 E CB 1.429 31.169 29.700 0.068 0.000 1.081 55 E HN 0.885 nan 8.360 nan 0.000 0.395 56 G N 2.428 111.247 108.800 0.031 0.000 2.682 56 G HA2 0.578 4.538 3.960 -0.000 0.000 0.290 56 G HA3 0.578 4.538 3.960 -0.000 0.000 0.290 56 G C -1.817 173.111 174.900 0.046 0.000 1.425 56 G CA -0.596 44.432 45.100 -0.119 0.000 0.807 56 G HN 0.511 nan 8.290 nan 0.000 0.482 57 Y N -2.134 118.324 120.300 0.263 0.000 2.750 57 Y HA 0.873 5.423 4.550 -0.000 0.000 0.335 57 Y C -1.056 175.004 175.900 0.266 0.000 1.252 57 Y CA -1.989 56.251 58.100 0.233 0.000 1.064 57 Y CB 1.419 39.953 38.460 0.123 0.000 1.321 57 Y HN 0.737 nan 8.280 nan 0.000 0.451 58 R N 1.072 121.848 120.500 0.460 0.000 2.500 58 R HA 0.722 5.062 4.340 -0.000 0.000 0.299 58 R C -2.401 173.982 176.300 0.138 0.000 1.038 58 R CA -0.576 55.696 56.100 0.287 0.000 0.903 58 R CB 1.529 31.905 30.300 0.127 0.000 1.177 58 R HN 0.741 nan 8.270 nan 0.000 0.455 59 V N 5.413 125.396 119.914 0.115 0.000 2.498 59 V HA 0.352 4.472 4.120 -0.000 0.000 0.279 59 V C -0.190 175.841 176.094 -0.104 0.000 1.048 59 V CA -0.311 61.982 62.300 -0.011 0.000 0.967 59 V CB 1.562 33.383 31.823 -0.004 0.000 0.988 59 V HN 0.682 nan 8.190 nan 0.000 0.473 60 Q N 3.523 123.192 119.800 -0.219 0.000 2.401 60 Q HA 0.301 4.641 4.340 -0.000 0.000 0.260 60 Q C 0.045 175.928 176.000 -0.194 0.000 1.034 60 Q CA -0.582 54.894 55.803 -0.546 0.000 0.737 60 Q CB 1.923 29.998 28.738 -1.104 0.000 1.227 60 Q HN 0.833 nan 8.270 nan 0.000 0.488 61 H N 1.824 120.869 119.070 -0.042 0.000 2.265 61 H HA 0.062 4.618 4.556 -0.000 0.000 0.305 61 H C -0.181 175.299 175.328 0.253 0.000 1.054 61 H CA 1.019 57.119 56.048 0.087 0.000 1.296 61 H CB 0.449 30.249 29.762 0.062 0.000 1.395 61 H HN 0.631 nan 8.280 nan 0.000 0.502 62 C N 1.039 120.473 119.300 0.224 0.000 2.880 62 C HA 0.443 4.903 4.460 -0.000 0.000 0.320 62 C C -1.594 173.379 174.990 -0.029 0.000 1.176 62 C CA -0.813 58.242 59.018 0.061 0.000 1.390 62 C CB 0.919 28.524 27.740 -0.225 0.000 1.846 62 C HN 0.626 nan 8.230 nan 0.000 0.478 63 D N 1.902 122.243 120.400 -0.099 0.000 2.342 63 D HA 0.755 5.395 4.640 -0.000 0.000 0.243 63 D C 0.616 176.829 176.300 -0.144 0.000 1.019 63 D CA 0.067 53.923 54.000 -0.239 0.000 0.864 63 D CB 2.098 42.760 40.800 -0.231 0.000 1.315 63 D HN 0.769 nan 8.370 nan 0.000 0.468 64 V N -1.221 118.547 119.914 -0.245 0.000 4.084 64 V HA -0.085 4.035 4.120 -0.000 0.000 0.193 64 V C 1.595 177.524 176.094 -0.276 0.000 1.554 64 V CA -0.265 61.766 62.300 -0.449 0.000 0.840 64 V CB -0.590 30.905 31.823 -0.547 0.000 0.918 64 V HN 0.396 nan 8.190 nan 0.000 0.548 65 L N 1.347 122.458 121.223 -0.187 0.000 2.341 65 L HA 0.697 5.037 4.340 -0.000 0.000 0.214 65 L C 1.168 177.985 176.870 -0.088 0.000 1.115 65 L CA 1.530 56.293 54.840 -0.128 0.000 0.820 65 L CB -0.058 41.942 42.059 -0.098 0.000 0.944 65 L HN 0.789 nan 8.230 nan 0.000 0.452 66 G N -0.676 108.074 108.800 -0.084 0.000 2.345 66 G HA2 0.099 4.059 3.960 -0.000 0.000 0.285 66 G HA3 0.099 4.059 3.960 -0.000 0.000 0.285 66 G C -3.025 171.835 174.900 -0.067 0.000 1.297 66 G CA -0.788 44.297 45.100 -0.026 0.000 0.875 66 G HN -0.266 nan 8.290 nan 0.000 0.506 67 P HA 0.245 nan 4.420 nan 0.000 0.269 67 P C -0.687 176.522 177.300 -0.152 0.000 1.209 67 P CA 0.135 63.181 63.100 -0.091 0.000 0.776 67 P CB 0.224 31.920 31.700 -0.007 0.000 0.876 68 Y N 1.483 121.730 120.300 -0.088 0.000 2.683 68 Y HA 0.206 4.756 4.550 -0.000 0.000 0.340 68 Y C 1.373 177.091 175.900 -0.304 0.000 1.245 68 Y CA 0.985 59.007 58.100 -0.130 0.000 1.485 68 Y CB 0.221 38.630 38.460 -0.085 0.000 1.328 68 Y HN 0.352 nan 8.280 nan 0.000 0.603 69 K N 0.841 121.144 120.400 -0.160 0.000 2.571 69 K HA 0.710 5.030 4.320 -0.000 0.000 0.252 69 K C -0.896 175.574 176.600 -0.216 0.000 0.956 69 K CA -0.177 55.868 56.287 -0.404 0.000 0.822 69 K CB 1.685 33.606 32.500 -0.964 0.000 1.286 69 K HN 0.868 nan 8.250 nan 0.000 0.439 70 G N 0.796 109.490 108.800 -0.177 0.000 2.451 70 G HA2 0.495 4.455 3.960 -0.000 0.000 0.292 70 G HA3 0.495 4.455 3.960 -0.000 0.000 0.292 70 G C -0.946 173.922 174.900 -0.053 0.000 1.427 70 G CA -0.355 44.696 45.100 -0.082 0.000 0.792 70 G HN 0.700 nan 8.290 nan 0.000 0.498 71 G N -1.660 107.132 108.800 -0.014 0.000 2.504 71 G HA2 0.616 4.576 3.960 -0.000 0.000 0.288 71 G HA3 0.616 4.576 3.960 -0.000 0.000 0.288 71 G C -0.738 174.180 174.900 0.031 0.000 1.182 71 G CA -0.261 44.840 45.100 0.002 0.000 0.894 71 G HN 1.389 nan 8.290 nan 0.000 0.521 72 V N 1.085 121.008 119.914 0.015 0.000 2.448 72 V HA 0.572 4.692 4.120 -0.000 0.000 0.295 72 V C -0.157 175.892 176.094 -0.075 0.000 1.025 72 V CA -0.998 61.306 62.300 0.007 0.000 0.859 72 V CB 1.204 33.061 31.823 0.057 0.000 0.988 72 V HN 0.775 nan 8.190 nan 0.000 0.431 73 R N 5.907 126.402 120.500 -0.009 0.000 2.368 73 R HA 0.473 4.813 4.340 -0.000 0.000 0.302 73 R C -1.030 175.402 176.300 0.220 0.000 1.002 73 R CA -0.305 55.822 56.100 0.045 0.000 0.929 73 R CB 1.667 32.005 30.300 0.063 0.000 1.073 73 R HN 0.692 nan 8.270 nan 0.000 0.464 74 F N 3.470 123.381 119.950 -0.065 0.000 2.453 74 F HA 0.244 4.771 4.527 -0.000 0.000 0.358 74 F C 0.188 175.983 175.800 -0.008 0.000 1.129 74 F CA -0.602 57.343 58.000 -0.092 0.000 1.200 74 F CB 0.703 39.635 39.000 -0.114 0.000 1.431 74 F HN 0.409 nan 8.300 nan 0.000 0.503 75 H N 4.428 123.527 119.070 0.048 0.000 2.894 75 H HA 0.256 4.812 4.556 -0.000 0.000 0.367 75 H C -2.268 173.052 175.328 -0.015 0.000 1.144 75 H CA -1.757 54.300 56.048 0.015 0.000 1.180 75 H CB 3.271 33.046 29.762 0.021 0.000 1.758 75 H HN 0.114 nan 8.280 nan 0.000 0.541 76 P HA -0.036 nan 4.420 nan 0.000 0.226 76 P C 0.077 177.424 177.300 0.079 0.000 1.153 76 P CA 0.924 63.971 63.100 -0.087 0.000 0.777 76 P CB 0.518 32.115 31.700 -0.172 0.000 0.794 77 E N -0.194 120.199 120.200 0.322 0.000 2.511 77 E HA 0.201 4.550 4.350 -0.000 0.000 0.214 77 E C -0.388 176.324 176.600 0.187 0.000 1.062 77 E CA -0.414 56.133 56.400 0.245 0.000 1.213 77 E CB 0.511 30.363 29.700 0.253 0.000 1.214 77 E HN -0.001 nan 8.360 nan 0.000 0.441 78 V N 1.739 121.759 119.914 0.177 0.000 2.583 78 V HA 0.202 4.322 4.120 -0.000 0.000 0.287 78 V C 0.475 176.670 176.094 0.169 0.000 1.051 78 V CA -0.038 62.349 62.300 0.146 0.000 1.010 78 V CB 1.394 33.285 31.823 0.114 0.000 0.988 78 V HN 0.327 nan 8.190 nan 0.000 0.478 79 T N 2.508 117.177 114.554 0.192 0.000 2.900 79 T HA 0.481 4.831 4.350 -0.000 0.000 0.295 79 T C 0.757 175.573 174.700 0.194 0.000 1.044 79 T CA -0.660 61.551 62.100 0.186 0.000 0.995 79 T CB 1.516 70.451 68.868 0.113 0.000 1.072 79 T HN 0.310 nan 8.240 nan 0.000 0.473 80 L N 1.904 123.169 121.223 0.071 0.000 1.970 80 L HA -0.047 4.293 4.340 -0.000 0.000 0.212 80 L C 3.061 179.882 176.870 -0.083 0.000 1.071 80 L CA 2.216 56.932 54.840 -0.207 0.000 0.751 80 L CB -0.976 40.883 42.059 -0.332 0.000 0.889 80 L HN 1.021 nan 8.230 nan 0.000 0.432 81 A N -0.352 122.454 122.820 -0.023 0.000 1.958 81 A HA -0.312 4.008 4.320 -0.000 0.000 0.221 81 A C 1.837 179.461 177.584 0.067 0.000 1.178 81 A CA 2.316 54.357 52.037 0.007 0.000 0.642 81 A CB -0.707 18.311 19.000 0.030 0.000 0.816 81 A HN 0.512 nan 8.150 nan 0.000 0.453 82 D N 0.057 120.537 120.400 0.135 0.000 2.084 82 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 82 D C 1.432 177.862 176.300 0.216 0.000 0.990 82 D CA 1.437 55.590 54.000 0.254 0.000 0.826 82 D CB -0.439 40.483 40.800 0.203 0.000 0.971 82 D HN 0.440 nan 8.370 nan 0.000 0.453 83 D N 0.229 120.724 120.400 0.158 0.000 2.219 83 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 83 D C 2.267 178.604 176.300 0.061 0.000 0.970 83 D CA 0.249 54.338 54.000 0.149 0.000 0.851 83 D CB 0.082 41.036 40.800 0.257 0.000 0.943 83 D HN 0.065 nan 8.370 nan 0.000 0.488 84 V N 1.828 121.740 119.914 -0.003 0.000 2.237 84 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 84 V C 2.664 178.701 176.094 -0.093 0.000 1.046 84 V CA 1.989 64.256 62.300 -0.056 0.000 1.007 84 V CB -0.836 30.943 31.823 -0.073 0.000 0.638 84 V HN 0.182 nan 8.190 nan 0.000 0.445 85 A N -0.559 122.207 122.820 -0.089 0.000 1.940 85 A HA -0.204 4.116 4.320 -0.000 0.000 0.219 85 A C 2.216 179.723 177.584 -0.129 0.000 1.176 85 A CA 1.960 53.883 52.037 -0.190 0.000 0.631 85 A CB -0.616 18.169 19.000 -0.358 0.000 0.814 85 A HN 0.521 nan 8.150 nan 0.000 0.446 86 L N -1.141 120.100 121.223 0.031 0.000 2.131 86 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 86 L C 3.038 179.905 176.870 -0.004 0.000 1.092 86 L CA 0.964 55.854 54.840 0.084 0.000 0.759 86 L CB -0.462 41.687 42.059 0.150 0.000 0.903 86 L HN 0.478 nan 8.230 nan 0.000 0.435 87 A N 0.172 122.961 122.820 -0.053 0.000 1.929 87 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 87 A C 2.140 179.574 177.584 -0.250 0.000 1.176 87 A CA 1.011 53.002 52.037 -0.078 0.000 0.628 87 A CB -0.482 18.498 19.000 -0.033 0.000 0.816 87 A HN 0.341 nan 8.150 nan 0.000 0.444 88 I N -0.305 119.979 120.570 -0.476 0.000 2.361 88 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 88 I C 2.208 178.166 176.117 -0.265 0.000 1.133 88 I CA 0.984 61.854 61.300 -0.718 0.000 1.413 88 I CB -0.254 37.394 38.000 -0.586 0.000 1.073 88 I HN 0.279 nan 8.210 nan 0.000 0.424 89 L N -0.668 120.476 121.223 -0.132 0.000 2.179 89 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 89 L C 2.573 179.447 176.870 0.007 0.000 1.096 89 L CA 0.643 55.472 54.840 -0.018 0.000 0.779 89 L CB -0.340 41.743 42.059 0.042 0.000 0.922 89 L HN 0.257 nan 8.230 nan 0.000 0.443 90 M N -0.653 118.946 119.600 -0.002 0.000 2.159 90 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 90 M C 2.323 178.647 176.300 0.041 0.000 1.063 90 M CA 1.720 57.034 55.300 0.022 0.000 1.110 90 M CB -1.269 31.341 32.600 0.018 0.000 1.374 90 M HN 0.176 nan 8.290 nan 0.000 0.411 91 T N 1.384 115.971 114.554 0.055 0.000 2.708 91 T HA -0.084 4.266 4.350 -0.000 0.000 0.266 91 T C 1.978 176.718 174.700 0.067 0.000 1.037 91 T CA 1.127 63.293 62.100 0.110 0.000 1.146 91 T CB -0.205 68.821 68.868 0.264 0.000 0.865 91 T HN 0.314 nan 8.240 nan 0.000 0.435 92 L N 0.488 121.735 121.223 0.040 0.000 2.027 92 L HA -0.055 4.285 4.340 -0.000 0.000 0.206 92 L C 2.640 179.532 176.870 0.037 0.000 1.074 92 L CA 1.374 56.231 54.840 0.028 0.000 0.745 92 L CB -0.507 41.557 42.059 0.008 0.000 0.898 92 L HN 0.162 nan 8.230 nan 0.000 0.433 93 K N 0.687 121.113 120.400 0.045 0.000 2.044 93 K HA -0.216 4.104 4.320 -0.000 0.000 0.210 93 K C 1.848 178.474 176.600 0.044 0.000 1.049 93 K CA 1.977 58.293 56.287 0.049 0.000 0.927 93 K CB -0.118 32.413 32.500 0.052 0.000 0.713 93 K HN 0.347 nan 8.250 nan 0.000 0.443 94 N N -0.472 118.257 118.700 0.048 0.000 2.223 94 N HA -0.143 4.597 4.740 -0.000 0.000 0.185 94 N C 1.743 177.266 175.510 0.021 0.000 1.016 94 N CA 0.896 53.978 53.050 0.053 0.000 0.863 94 N CB -0.017 38.517 38.487 0.079 0.000 0.983 94 N HN 0.104 nan 8.380 nan 0.000 0.429 95 S N 0.878 116.590 115.700 0.020 0.000 2.343 95 S HA -0.011 4.459 4.470 -0.000 0.000 0.219 95 S C 1.901 176.503 174.600 0.004 0.000 1.033 95 S CA 0.741 58.944 58.200 0.005 0.000 1.014 95 S CB -0.285 62.924 63.200 0.016 0.000 0.915 95 S HN 0.222 nan 8.310 nan 0.000 0.435 96 L N 1.090 122.324 121.223 0.019 0.000 2.043 96 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 96 L C 2.691 179.570 176.870 0.014 0.000 1.075 96 L CA 1.448 56.302 54.840 0.024 0.000 0.752 96 L CB -0.726 41.354 42.059 0.035 0.000 0.891 96 L HN 0.429 nan 8.230 nan 0.000 0.432 97 A N -0.505 122.320 122.820 0.009 0.000 2.178 97 A HA -0.012 4.308 4.320 -0.000 0.000 0.218 97 A C 1.771 179.330 177.584 -0.042 0.000 1.157 97 A CA 1.093 53.129 52.037 -0.001 0.000 0.689 97 A CB -0.780 18.226 19.000 0.010 0.000 0.787 97 A HN 0.638 nan 8.150 nan 0.000 0.465 98 G N -1.641 107.126 108.800 -0.054 0.000 2.153 98 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.252 98 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.252 98 G C 0.122 174.912 174.900 -0.184 0.000 0.994 98 G CA 0.520 45.569 45.100 -0.085 0.000 0.698 98 G HN 0.542 nan 8.290 nan 0.000 0.521 99 L N 0.189 121.262 121.223 -0.250 0.000 2.439 99 L HA 0.509 4.849 4.340 -0.000 0.000 0.259 99 L C -1.436 175.201 176.870 -0.388 0.000 1.129 99 L CA -2.088 52.438 54.840 -0.523 0.000 0.803 99 L CB 0.823 42.528 42.059 -0.589 0.000 1.161 99 L HN -0.051 nan 8.230 nan 0.000 0.462 100 P HA 0.232 nan 4.420 nan 0.000 0.206 100 P C -1.346 175.836 177.300 -0.198 0.000 1.867 100 P CA -0.046 62.908 63.100 -0.243 0.000 0.991 100 P CB -0.201 31.414 31.700 -0.142 0.000 1.822 101 Y N -0.895 119.302 120.300 -0.170 0.000 2.462 101 Y HA 0.450 5.000 4.550 -0.000 0.000 0.346 101 Y C 1.709 177.526 175.900 -0.139 0.000 0.976 101 Y CA -1.092 56.897 58.100 -0.185 0.000 1.044 101 Y CB 2.339 40.685 38.460 -0.189 0.000 1.230 101 Y HN 0.049 nan 8.280 nan 0.000 0.455 102 G N 1.397 110.216 108.800 0.033 0.000 2.670 102 G HA2 0.369 4.329 3.960 -0.000 0.000 0.215 102 G HA3 0.369 4.329 3.960 -0.000 0.000 0.215 102 G C 0.151 175.095 174.900 0.073 0.000 1.359 102 G CA 0.391 45.475 45.100 -0.027 0.000 0.897 102 G HN 1.050 nan 8.290 nan 0.000 0.552 103 G N -1.509 107.373 108.800 0.136 0.000 2.163 103 G HA2 0.591 4.551 3.960 -0.000 0.000 0.191 103 G HA3 0.591 4.551 3.960 -0.000 0.000 0.191 103 G C -0.729 174.304 174.900 0.221 0.000 1.517 103 G CA 0.130 45.320 45.100 0.151 0.000 1.024 103 G HN 1.431 nan 8.290 nan 0.000 0.664 104 A N 1.227 124.107 122.820 0.099 0.000 2.533 104 A HA 1.058 5.378 4.320 -0.000 0.000 0.293 104 A C -0.653 176.946 177.584 0.024 0.000 1.228 104 A CA -0.611 51.457 52.037 0.051 0.000 0.689 104 A CB 2.382 21.372 19.000 -0.016 0.000 1.303 104 A HN 1.796 nan 8.150 nan 0.000 0.444 105 K N -1.217 119.204 120.400 0.035 0.000 2.600 105 K HA 0.554 4.874 4.320 -0.000 0.000 0.262 105 K C -0.688 176.000 176.600 0.146 0.000 0.935 105 K CA 0.607 56.939 56.287 0.075 0.000 0.866 105 K CB 1.252 33.799 32.500 0.078 0.000 1.354 105 K HN 1.675 nan 8.250 nan 0.000 0.419 106 G N 1.033 109.936 108.800 0.171 0.000 2.658 106 G HA2 0.932 4.892 3.960 -0.000 0.000 0.292 106 G HA3 0.932 4.892 3.960 -0.000 0.000 0.292 106 G C -1.450 173.522 174.900 0.120 0.000 1.320 106 G CA -0.344 44.907 45.100 0.253 0.000 0.933 106 G HN 0.864 nan 8.290 nan 0.000 0.476 107 A N -1.174 121.592 122.820 -0.089 0.000 2.586 107 A HA 0.825 5.145 4.320 -0.000 0.000 0.290 107 A C -1.814 175.468 177.584 -0.504 0.000 1.086 107 A CA -0.514 51.367 52.037 -0.259 0.000 0.665 107 A CB 1.606 20.504 19.000 -0.170 0.000 1.279 107 A HN 1.598 nan 8.150 nan 0.000 0.423 108 V N 0.865 120.583 119.914 -0.327 0.000 2.711 108 V HA 0.468 4.588 4.120 -0.000 0.000 0.304 108 V C -0.096 175.825 176.094 -0.287 0.000 1.097 108 V CA -0.535 61.527 62.300 -0.397 0.000 0.906 108 V CB 1.780 33.245 31.823 -0.597 0.000 1.015 108 V HN 0.922 nan 8.190 nan 0.000 0.427 109 R N 3.436 123.821 120.500 -0.191 0.000 2.248 109 R HA 0.678 5.018 4.340 -0.000 0.000 0.337 109 R C -1.195 175.050 176.300 -0.091 0.000 1.085 109 R CA 0.160 56.209 56.100 -0.085 0.000 0.934 109 R CB 0.795 31.091 30.300 -0.007 0.000 1.034 109 R HN 0.569 nan 8.270 nan 0.000 0.465 110 V N 3.318 123.136 119.914 -0.160 0.000 3.174 110 V HA 0.113 4.233 4.120 -0.000 0.000 0.280 110 V C -1.999 173.977 176.094 -0.197 0.000 1.554 110 V CA -0.972 61.219 62.300 -0.181 0.000 1.016 110 V CB 2.357 33.916 31.823 -0.440 0.000 1.197 110 V HN 0.790 nan 8.190 nan 0.000 0.453 111 D N 6.485 126.796 120.400 -0.148 0.000 2.443 111 D HA 0.479 5.119 4.640 -0.000 0.000 0.221 111 D C -1.286 174.948 176.300 -0.110 0.000 1.097 111 D CA -2.027 51.889 54.000 -0.139 0.000 0.865 111 D CB 2.072 42.804 40.800 -0.114 0.000 1.034 111 D HN 0.402 nan 8.370 nan 0.000 0.511 112 P HA -0.173 nan 4.420 nan 0.000 0.218 112 P C 0.275 177.564 177.300 -0.019 0.000 1.146 112 P CA 0.815 63.896 63.100 -0.032 0.000 0.813 112 P CB 0.237 31.985 31.700 0.081 0.000 0.778 113 K N 0.008 120.394 120.400 -0.024 0.000 2.968 113 K HA 0.055 4.375 4.320 -0.000 0.000 0.249 113 K C 1.101 177.689 176.600 -0.020 0.000 1.062 113 K CA 0.217 56.495 56.287 -0.015 0.000 1.215 113 K CB -0.023 32.468 32.500 -0.016 0.000 1.097 113 K HN -0.010 nan 8.250 nan 0.000 0.462 114 K N -0.072 120.313 120.400 -0.025 0.000 2.608 114 K HA 0.240 4.560 4.320 -0.000 0.000 0.214 114 K C -0.717 175.875 176.600 -0.014 0.000 1.469 114 K CA 0.028 56.305 56.287 -0.017 0.000 1.012 114 K CB 0.858 33.348 32.500 -0.018 0.000 1.211 114 K HN 0.003 nan 8.250 nan 0.000 0.627 115 L N 1.746 122.952 121.223 -0.028 0.000 2.334 115 L HA 0.500 4.840 4.340 -0.000 0.000 0.276 115 L C 0.246 177.105 176.870 -0.017 0.000 1.014 115 L CA -1.063 53.757 54.840 -0.034 0.000 0.815 115 L CB 1.856 43.859 42.059 -0.092 0.000 1.268 115 L HN 0.084 nan 8.230 nan 0.000 0.428 116 S N 0.975 116.665 115.700 -0.017 0.000 2.617 116 S HA 0.112 4.582 4.470 -0.000 0.000 0.259 116 S C 0.808 175.402 174.600 -0.009 0.000 1.301 116 S CA -0.600 57.595 58.200 -0.008 0.000 0.984 116 S CB 0.987 64.179 63.200 -0.014 0.000 0.954 116 S HN 0.597 nan 8.310 nan 0.000 0.572 117 Q N 0.693 120.497 119.800 0.007 0.000 2.077 117 Q HA -0.171 4.169 4.340 -0.000 0.000 0.206 117 Q C 2.354 178.292 176.000 -0.103 0.000 0.989 117 Q CA 1.821 57.637 55.803 0.022 0.000 0.853 117 Q CB -0.597 28.171 28.738 0.050 0.000 0.907 117 Q HN 0.823 nan 8.270 nan 0.000 0.418 118 R N 0.833 121.264 120.500 -0.115 0.000 2.083 118 R HA -0.161 4.179 4.340 -0.000 0.000 0.237 118 R C 1.938 178.130 176.300 -0.181 0.000 1.137 118 R CA 1.706 57.703 56.100 -0.172 0.000 0.951 118 R CB 0.006 30.242 30.300 -0.106 0.000 0.851 118 R HN 0.343 nan 8.270 nan 0.000 0.434 119 E N 0.663 120.794 120.200 -0.116 0.000 2.072 119 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 119 E C 2.175 178.682 176.600 -0.155 0.000 0.985 119 E CA 1.063 57.397 56.400 -0.110 0.000 0.801 119 E CB -0.192 29.470 29.700 -0.064 0.000 0.750 119 E HN 0.342 nan 8.360 nan 0.000 0.452 120 L N 1.190 122.340 121.223 -0.122 0.000 2.042 120 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 120 L C 2.644 179.467 176.870 -0.078 0.000 1.076 120 L CA 1.580 56.387 54.840 -0.055 0.000 0.749 120 L CB -0.182 41.942 42.059 0.109 0.000 0.893 120 L HN 0.216 nan 8.230 nan 0.000 0.432 121 E N -0.339 119.632 120.200 -0.382 0.000 2.106 121 E HA -0.300 4.050 4.350 -0.000 0.000 0.192 121 E C 1.945 178.318 176.600 -0.380 0.000 0.984 121 E CA 1.176 57.103 56.400 -0.787 0.000 0.806 121 E CB 0.092 28.893 29.700 -1.499 0.000 0.750 121 E HN 0.343 nan 8.360 nan 0.000 0.458 122 E N 0.330 120.368 120.200 -0.271 0.000 2.150 122 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 122 E C 1.877 178.422 176.600 -0.091 0.000 0.985 122 E CA 0.730 57.036 56.400 -0.157 0.000 0.814 122 E CB -0.199 29.428 29.700 -0.121 0.000 0.752 122 E HN 0.332 nan 8.360 nan 0.000 0.466 123 L N -0.221 120.929 121.223 -0.121 0.000 2.072 123 L HA 0.012 4.352 4.340 -0.000 0.000 0.205 123 L C 2.042 178.928 176.870 0.027 0.000 1.079 123 L CA 1.716 56.475 54.840 -0.135 0.000 0.752 123 L CB -0.704 41.112 42.059 -0.406 0.000 0.906 123 L HN -0.003 nan 8.230 nan 0.000 0.436 124 S N -0.288 115.487 115.700 0.124 0.000 2.383 124 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 124 S C 2.003 176.735 174.600 0.220 0.000 1.026 124 S CA 1.247 59.622 58.200 0.291 0.000 0.981 124 S CB -0.282 63.173 63.200 0.425 0.000 0.818 124 S HN 0.464 nan 8.310 nan 0.000 0.472 125 R N 0.570 121.138 120.500 0.113 0.000 2.119 125 R HA 0.047 4.387 4.340 -0.000 0.000 0.222 125 R C 2.666 179.033 176.300 0.111 0.000 1.088 125 R CA 0.919 57.076 56.100 0.095 0.000 0.984 125 R CB -0.606 29.707 30.300 0.021 0.000 0.884 125 R HN 0.450 nan 8.270 nan 0.000 0.447 126 G N 0.267 109.128 108.800 0.102 0.000 2.422 126 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.218 126 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.218 126 G C 1.186 176.190 174.900 0.174 0.000 1.146 126 G CA 0.568 45.734 45.100 0.111 0.000 0.769 126 G HN 0.299 nan 8.290 nan 0.000 0.547 127 Y N 2.025 122.377 120.300 0.088 0.000 2.114 127 Y HA 0.017 4.567 4.550 0.000 0.000 0.284 127 Y C 2.921 178.917 175.900 0.159 0.000 1.143 127 Y CA 1.362 59.535 58.100 0.121 0.000 1.135 127 Y CB -0.587 37.972 38.460 0.165 0.000 0.980 127 Y HN 0.237 nan 8.280 nan 0.000 0.499 128 A N 0.460 123.387 122.820 0.178 0.000 1.940 128 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 128 A C 2.393 180.052 177.584 0.125 0.000 1.176 128 A CA 1.957 54.087 52.037 0.155 0.000 0.631 128 A CB -0.811 18.309 19.000 0.201 0.000 0.814 128 A HN 0.567 nan 8.150 nan 0.000 0.446 129 R N -0.666 119.894 120.500 0.099 0.000 2.119 129 R HA 0.063 4.403 4.340 -0.000 0.000 0.222 129 R C 2.190 178.512 176.300 0.038 0.000 1.088 129 R CA 1.223 57.365 56.100 0.070 0.000 0.984 129 R CB -0.327 30.009 30.300 0.059 0.000 0.884 129 R HN 0.411 nan 8.270 nan 0.000 0.447 130 A N 1.623 124.455 122.820 0.020 0.000 1.872 130 A HA -0.056 4.264 4.320 -0.000 0.000 0.214 130 A C 1.978 179.546 177.584 -0.026 0.000 1.187 130 A CA 1.303 53.346 52.037 0.010 0.000 0.614 130 A CB -0.445 18.580 19.000 0.042 0.000 0.826 130 A HN 0.547 nan 8.150 nan 0.000 0.442 131 I N -3.636 116.864 120.570 -0.117 0.000 3.810 131 I HA 0.433 4.603 4.170 -0.000 0.000 0.322 131 I C 1.752 177.851 176.117 -0.031 0.000 1.288 131 I CA 0.520 61.750 61.300 -0.116 0.000 1.143 131 I CB -0.121 37.711 38.000 -0.280 0.000 1.012 131 I HN 0.132 nan 8.210 nan 0.000 0.423 132 A N 3.383 126.225 122.820 0.036 0.000 1.883 132 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 132 A C 0.478 178.138 177.584 0.127 0.000 1.186 132 A CA 1.755 53.881 52.037 0.147 0.000 0.624 132 A CB -2.069 16.995 19.000 0.108 0.000 0.822 132 A HN 0.489 nan 8.150 nan 0.000 0.444 133 P HA -0.108 nan 4.420 nan 0.000 0.220 133 P C 0.540 177.876 177.300 0.060 0.000 1.144 133 P CA 0.953 64.085 63.100 0.053 0.000 0.800 133 P CB -0.010 31.708 31.700 0.031 0.000 0.772 134 L N -0.431 120.820 121.223 0.047 0.000 3.017 134 L HA 0.371 4.711 4.340 -0.000 0.000 0.255 134 L C 0.766 177.651 176.870 0.024 0.000 1.247 134 L CA -0.411 54.448 54.840 0.031 0.000 1.038 134 L CB -0.477 41.580 42.059 -0.002 0.000 1.380 134 L HN -0.002 nan 8.230 nan 0.000 0.548 135 I N -4.027 116.576 120.570 0.055 0.000 3.102 135 I HA 0.980 5.150 4.170 -0.000 0.000 0.310 135 I C -0.237 175.909 176.117 0.047 0.000 1.246 135 I CA -0.748 60.550 61.300 -0.003 0.000 0.979 135 I CB 2.276 40.196 38.000 -0.133 0.000 1.267 135 I HN -0.052 nan 8.210 nan 0.000 0.451 136 G N 2.017 110.785 108.800 -0.053 0.000 2.466 136 G HA2 0.317 4.277 3.960 -0.000 0.000 0.291 136 G HA3 0.317 4.277 3.960 -0.000 0.000 0.291 136 G C -0.808 174.067 174.900 -0.041 0.000 1.460 136 G CA 0.024 45.122 45.100 -0.004 0.000 0.791 136 G HN 0.878 nan 8.290 nan 0.000 0.505 137 D N -1.362 119.056 120.400 0.030 0.000 2.384 137 D HA -0.093 4.547 4.640 -0.000 0.000 0.222 137 D C 1.686 178.244 176.300 0.430 0.000 0.976 137 D CA 1.562 55.677 54.000 0.190 0.000 0.915 137 D CB 0.049 40.936 40.800 0.145 0.000 0.896 137 D HN 0.950 nan 8.370 nan 0.000 0.523 138 V N -2.843 117.238 119.914 0.278 0.000 3.172 138 V HA 0.353 4.473 4.120 -0.000 0.000 0.343 138 V C 0.945 177.150 176.094 0.184 0.000 1.429 138 V CA 0.109 62.607 62.300 0.330 0.000 1.149 138 V CB -0.006 31.971 31.823 0.256 0.000 1.106 138 V HN 0.188 nan 8.190 nan 0.000 0.526 139 V N -2.252 117.732 119.914 0.116 0.000 3.159 139 V HA 0.601 4.721 4.120 -0.000 0.000 0.234 139 V C -0.103 176.062 176.094 0.118 0.000 1.313 139 V CA 1.314 63.679 62.300 0.109 0.000 1.271 139 V CB 1.356 33.253 31.823 0.123 0.000 1.053 139 V HN 0.534 nan 8.190 nan 0.000 0.476 140 D N 0.101 120.507 120.400 0.011 0.000 2.369 140 D HA 0.348 4.988 4.640 -0.000 0.000 0.212 140 D C -1.470 174.670 176.300 -0.267 0.000 1.326 140 D CA -0.169 53.800 54.000 -0.052 0.000 0.933 140 D CB 0.873 41.679 40.800 0.011 0.000 1.516 140 D HN 0.298 nan 8.370 nan 0.000 0.557 141 I N 5.199 125.542 120.570 -0.378 0.000 2.282 141 I HA 0.356 4.526 4.170 -0.000 0.000 0.290 141 I C -2.064 173.772 176.117 -0.469 0.000 1.090 141 I CA -1.766 59.237 61.300 -0.495 0.000 1.231 141 I CB 0.871 38.553 38.000 -0.529 0.000 1.434 141 I HN 0.145 nan 8.210 nan 0.000 0.487 142 P HA 0.384 nan 4.420 nan 0.000 0.272 142 P C -0.521 176.740 177.300 -0.065 0.000 1.254 142 P CA -0.234 62.702 63.100 -0.273 0.000 0.795 142 P CB 0.801 32.389 31.700 -0.187 0.000 1.022 143 A N 0.259 123.105 122.820 0.045 0.000 2.588 143 A HA 0.751 5.071 4.320 -0.000 0.000 0.290 143 A C -2.840 174.759 177.584 0.025 0.000 1.136 143 A CA -1.471 50.592 52.037 0.044 0.000 0.681 143 A CB 0.787 19.769 19.000 -0.029 0.000 1.282 143 A HN 0.312 nan 8.150 nan 0.000 0.421 144 P HA 0.424 nan 4.420 nan 0.000 0.276 144 P C -1.045 176.216 177.300 -0.064 0.000 1.252 144 P CA 0.344 63.397 63.100 -0.079 0.000 0.802 144 P CB 1.415 33.058 31.700 -0.094 0.000 1.035 145 D N -1.409 118.939 120.400 -0.087 0.000 3.145 145 D HA 0.028 4.668 4.640 -0.000 0.000 0.345 145 D C 1.433 177.702 176.300 -0.051 0.000 1.391 145 D CA -0.192 53.778 54.000 -0.049 0.000 0.930 145 D CB 1.096 41.878 40.800 -0.031 0.000 1.451 145 D HN 0.116 nan 8.370 nan 0.000 0.555 146 V N -0.032 119.873 119.914 -0.016 0.000 2.240 146 V HA -0.216 3.904 4.120 -0.000 0.000 0.257 146 V C 1.693 177.802 176.094 0.026 0.000 1.067 146 V CA 2.795 65.104 62.300 0.015 0.000 1.067 146 V CB -1.627 30.224 31.823 0.047 0.000 0.683 146 V HN 0.623 nan 8.190 nan 0.000 0.461 147 G N 0.347 109.174 108.800 0.045 0.000 3.042 147 G HA2 0.305 4.265 3.960 -0.000 0.000 0.212 147 G HA3 0.305 4.265 3.960 -0.000 0.000 0.212 147 G C 0.615 175.464 174.900 -0.084 0.000 1.166 147 G CA 0.713 45.852 45.100 0.065 0.000 0.767 147 G HN 1.007 nan 8.290 nan 0.000 0.546 148 T N -0.934 113.476 114.554 -0.240 0.000 2.936 148 T HA 0.646 4.996 4.350 -0.000 0.000 0.282 148 T C -0.325 174.240 174.700 -0.225 0.000 1.003 148 T CA -0.675 61.197 62.100 -0.380 0.000 1.005 148 T CB 2.209 70.713 68.868 -0.607 0.000 1.097 148 T HN 0.346 nan 8.240 nan 0.000 0.532 149 N N -1.150 117.402 118.700 -0.246 0.000 3.179 149 N HA 0.533 5.273 4.740 -0.000 0.000 0.250 149 N C 0.932 176.301 175.510 -0.234 0.000 1.507 149 N CA -0.508 52.426 53.050 -0.194 0.000 0.883 149 N CB 0.478 38.866 38.487 -0.165 0.000 1.435 149 N HN 0.683 nan 8.380 nan 0.000 0.532 150 A N -0.514 122.186 122.820 -0.199 0.000 1.958 150 A HA -0.283 4.037 4.320 -0.000 0.000 0.221 150 A C 1.960 179.345 177.584 -0.330 0.000 1.178 150 A CA 2.507 54.414 52.037 -0.216 0.000 0.642 150 A CB -1.067 17.832 19.000 -0.168 0.000 0.816 150 A HN 0.759 nan 8.150 nan 0.000 0.453 151 Q N -0.062 119.490 119.800 -0.414 0.000 2.167 151 Q HA -0.020 4.320 4.340 -0.000 0.000 0.202 151 Q C 1.650 177.030 176.000 -1.033 0.000 0.970 151 Q CA 1.677 57.069 55.803 -0.685 0.000 0.855 151 Q CB -0.407 27.924 28.738 -0.678 0.000 0.911 151 Q HN 0.711 nan 8.270 nan 0.000 0.438 152 I N -0.510 119.635 120.570 -0.708 0.000 2.500 152 I HA -0.167 4.003 4.170 -0.000 0.000 0.252 152 I C 1.738 177.621 176.117 -0.390 0.000 1.142 152 I CA 0.450 61.437 61.300 -0.522 0.000 1.451 152 I CB -0.198 37.590 38.000 -0.353 0.000 1.093 152 I HN 0.283 nan 8.210 nan 0.000 0.430 153 M N 0.449 119.823 119.600 -0.377 0.000 2.175 153 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 153 M C 2.629 178.729 176.300 -0.332 0.000 1.063 153 M CA 1.524 56.617 55.300 -0.346 0.000 1.119 153 M CB -1.199 31.292 32.600 -0.182 0.000 1.377 153 M HN 0.243 nan 8.290 nan 0.000 0.415 154 A N -0.015 122.610 122.820 -0.326 0.000 1.877 154 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 154 A C 1.919 179.445 177.584 -0.097 0.000 1.186 154 A CA 1.308 53.203 52.037 -0.237 0.000 0.620 154 A CB -0.985 17.819 19.000 -0.327 0.000 0.822 154 A HN 0.557 nan 8.150 nan 0.000 0.443 155 W N -0.401 120.824 121.300 -0.125 0.000 2.358 155 W HA -0.090 4.570 4.660 -0.000 0.000 0.303 155 W C 2.440 178.886 176.519 -0.122 0.000 1.208 155 W CA 1.053 58.342 57.345 -0.094 0.000 1.274 155 W CB -1.158 28.256 29.460 -0.077 0.000 1.138 155 W HN 0.317 nan 8.180 nan 0.000 0.515 156 M N -0.471 119.098 119.600 -0.051 0.000 2.159 156 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 156 M C 1.948 178.138 176.300 -0.184 0.000 1.063 156 M CA 1.278 56.412 55.300 -0.276 0.000 1.110 156 M CB -0.815 31.246 32.600 -0.899 0.000 1.374 156 M HN -0.283 nan 8.290 nan 0.000 0.411 157 V N 0.362 120.185 119.914 -0.153 0.000 2.343 157 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 157 V C 1.806 178.033 176.094 0.222 0.000 1.051 157 V CA 2.301 64.683 62.300 0.136 0.000 1.036 157 V CB -0.677 31.255 31.823 0.181 0.000 0.654 157 V HN 0.466 nan 8.190 nan 0.000 0.451 158 D N -0.304 120.198 120.400 0.170 0.000 2.117 158 D HA -0.212 4.428 4.640 -0.000 0.000 0.197 158 D C 2.117 178.510 176.300 0.154 0.000 0.987 158 D CA 1.253 55.360 54.000 0.179 0.000 0.829 158 D CB -0.026 40.872 40.800 0.163 0.000 0.961 158 D HN 0.373 nan 8.370 nan 0.000 0.460 159 E N -0.970 119.316 120.200 0.144 0.000 2.110 159 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 159 E C 1.766 178.446 176.600 0.134 0.000 0.988 159 E CA 0.977 57.448 56.400 0.118 0.000 0.804 159 E CB -0.564 29.203 29.700 0.112 0.000 0.745 159 E HN 0.520 nan 8.360 nan 0.000 0.458 160 Y N 0.266 120.615 120.300 0.082 0.000 2.200 160 Y HA -0.164 4.386 4.550 -0.000 0.000 0.290 160 Y C 2.428 178.330 175.900 0.004 0.000 1.137 160 Y CA 1.914 60.060 58.100 0.076 0.000 1.163 160 Y CB -0.319 38.239 38.460 0.164 0.000 0.988 160 Y HN 0.010 nan 8.280 nan 0.000 0.518 161 S N 0.663 116.465 115.700 0.171 0.000 2.359 161 S HA -0.234 4.236 4.470 -0.000 0.000 0.224 161 S C 1.817 176.381 174.600 -0.059 0.000 1.035 161 S CA 1.861 60.083 58.200 0.037 0.000 1.018 161 S CB -0.395 62.899 63.200 0.157 0.000 0.876 161 S HN 0.591 nan 8.310 nan 0.000 0.448 162 K N 0.904 121.303 120.400 -0.001 0.000 2.439 162 K HA 0.088 4.408 4.320 -0.000 0.000 0.197 162 K C 1.690 178.252 176.600 -0.063 0.000 1.041 162 K CA 0.837 57.116 56.287 -0.013 0.000 0.970 162 K CB -0.320 32.192 32.500 0.020 0.000 0.773 162 K HN 0.363 nan 8.250 nan 0.000 0.479 163 I N 1.358 121.847 120.570 -0.136 0.000 2.339 163 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 163 I C 2.182 178.174 176.117 -0.208 0.000 1.096 163 I CA 0.806 62.001 61.300 -0.174 0.000 1.408 163 I CB -0.084 37.763 38.000 -0.254 0.000 1.092 163 I HN 0.074 nan 8.210 nan 0.000 0.423 164 K N 0.732 120.925 120.400 -0.345 0.000 2.288 164 K HA -0.000 4.320 4.320 -0.000 0.000 0.201 164 K C 1.437 177.945 176.600 -0.152 0.000 1.048 164 K CA 1.088 57.171 56.287 -0.339 0.000 0.956 164 K CB -0.077 31.997 32.500 -0.709 0.000 0.746 164 K HN 0.524 nan 8.250 nan 0.000 0.461 165 G N 0.878 109.605 108.800 -0.123 0.000 2.175 165 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 165 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 165 G C -0.047 174.947 174.900 0.156 0.000 0.982 165 G CA 0.668 45.797 45.100 0.050 0.000 0.641 165 G HN 0.396 nan 8.290 nan 0.000 0.527 166 Y N -1.459 118.881 120.300 0.067 0.000 2.670 166 Y HA 0.697 5.247 4.550 0.000 0.000 0.334 166 Y C -0.386 175.601 175.900 0.145 0.000 1.185 166 Y CA -1.759 56.396 58.100 0.093 0.000 1.053 166 Y CB 0.208 38.712 38.460 0.072 0.000 1.298 166 Y HN 0.025 nan 8.280 nan 0.000 0.459 167 N N 0.325 119.201 118.700 0.293 0.000 2.475 167 N HA 0.456 5.196 4.740 -0.000 0.000 0.267 167 N C -1.457 174.183 175.510 0.218 0.000 1.169 167 N CA -0.293 52.901 53.050 0.240 0.000 0.947 167 N CB 1.261 39.920 38.487 0.287 0.000 1.061 167 N HN 0.476 nan 8.380 nan 0.000 0.466 168 V N 4.487 124.442 119.914 0.068 0.000 2.380 168 V HA 0.203 4.323 4.120 -0.000 0.000 0.268 168 V C -1.485 174.548 176.094 -0.102 0.000 1.008 168 V CA -0.970 61.350 62.300 0.033 0.000 0.823 168 V CB 1.296 33.219 31.823 0.168 0.000 1.053 168 V HN 0.733 nan 8.190 nan 0.000 0.446 169 P HA -0.023 nan 4.420 nan 0.000 0.222 169 P C 1.340 178.555 177.300 -0.142 0.000 1.153 169 P CA 1.029 63.910 63.100 -0.365 0.000 0.798 169 P CB 0.474 31.567 31.700 -1.012 0.000 0.796 170 G N 0.298 108.979 108.800 -0.199 0.000 3.124 170 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.212 170 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.212 170 G C 1.282 176.244 174.900 0.103 0.000 1.181 170 G CA -0.042 45.061 45.100 0.006 0.000 0.803 170 G HN 0.265 nan 8.290 nan 0.000 0.529 171 V N -0.734 119.158 119.914 -0.037 0.000 2.951 171 V HA 0.452 4.572 4.120 -0.000 0.000 0.255 171 V C -0.186 175.657 176.094 -0.418 0.000 1.088 171 V CA 0.601 62.740 62.300 -0.267 0.000 1.109 171 V CB -0.308 31.168 31.823 -0.579 0.000 0.724 171 V HN 0.118 nan 8.190 nan 0.000 0.471 172 F N -0.052 119.847 119.950 -0.086 0.000 2.574 172 F HA 0.533 5.060 4.527 -0.000 0.000 0.313 172 F C 0.307 176.087 175.800 -0.034 0.000 1.130 172 F CA -0.307 57.651 58.000 -0.070 0.000 0.936 172 F CB 1.906 40.875 39.000 -0.052 0.000 1.219 172 F HN -0.033 nan 8.300 nan 0.000 0.445 173 T N -1.840 112.781 114.554 0.111 0.000 2.923 173 T HA 0.572 4.922 4.350 -0.000 0.000 0.281 173 T C 0.215 174.941 174.700 0.044 0.000 0.995 173 T CA -0.478 61.661 62.100 0.066 0.000 0.985 173 T CB 1.448 70.334 68.868 0.029 0.000 1.114 173 T HN 0.701 nan 8.240 nan 0.000 0.548 174 S N 0.274 115.979 115.700 0.009 0.000 3.812 174 S HA -0.119 4.351 4.470 -0.000 0.000 0.341 174 S C 0.043 174.617 174.600 -0.044 0.000 1.057 174 S CA 0.820 59.005 58.200 -0.025 0.000 1.015 174 S CB -2.005 61.177 63.200 -0.030 0.000 0.893 174 S HN 1.064 nan 8.310 nan 0.000 0.476 175 K N -0.470 119.910 120.400 -0.032 0.000 2.106 175 K HA 0.672 4.992 4.320 -0.000 0.000 0.246 175 K C -3.097 173.447 176.600 -0.093 0.000 0.987 175 K CA -2.566 53.681 56.287 -0.066 0.000 0.904 175 K CB 0.160 32.645 32.500 -0.025 0.000 1.071 175 K HN -0.130 nan 8.250 nan 0.000 0.453 176 P HA -0.056 nan 4.420 nan 0.000 0.264 176 P C -2.180 175.041 177.300 -0.130 0.000 1.173 176 P CA -0.616 62.401 63.100 -0.139 0.000 0.761 176 P CB -0.015 31.584 31.700 -0.170 0.000 0.794 177 P HA -0.129 nan 4.420 nan 0.000 0.225 177 P C 0.610 177.836 177.300 -0.123 0.000 1.148 177 P CA 1.276 64.315 63.100 -0.102 0.000 0.779 177 P CB 0.039 31.689 31.700 -0.084 0.000 0.780 178 E N -1.178 118.931 120.200 -0.152 0.000 2.435 178 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 178 E C 0.855 177.261 176.600 -0.324 0.000 1.029 178 E CA 0.406 56.695 56.400 -0.185 0.000 0.865 178 E CB -0.102 29.503 29.700 -0.157 0.000 0.833 178 E HN 0.130 nan 8.360 nan 0.000 0.510 179 L N 0.484 121.479 121.223 -0.379 0.000 2.892 179 L HA 0.134 4.474 4.340 -0.000 0.000 0.251 179 L C -0.884 175.671 176.870 -0.523 0.000 1.339 179 L CA 0.016 54.429 54.840 -0.712 0.000 0.900 179 L CB -0.283 41.456 42.059 -0.533 0.000 1.246 179 L HN 0.431 nan 8.230 nan 0.000 0.524 180 W N -0.675 120.603 121.300 -0.037 0.000 3.105 180 W HA -0.212 4.448 4.660 -0.000 0.000 0.308 180 W C 0.684 177.132 176.519 -0.119 0.000 1.182 180 W CA 0.651 57.949 57.345 -0.078 0.000 0.612 180 W CB -2.270 27.128 29.460 -0.104 0.000 2.238 180 W HN 0.440 nan 8.180 nan 0.000 1.307 181 G N 0.394 109.202 108.800 0.013 0.000 2.543 181 G HA2 0.502 4.462 3.960 -0.000 0.000 0.267 181 G HA3 0.502 4.462 3.960 -0.000 0.000 0.267 181 G C -0.238 174.618 174.900 -0.074 0.000 1.406 181 G CA -0.252 44.827 45.100 -0.035 0.000 1.048 181 G HN 0.069 nan 8.290 nan 0.000 0.548 182 N N -0.793 117.849 118.700 -0.097 0.000 2.454 182 N HA 0.298 5.038 4.740 -0.000 0.000 0.291 182 N C -2.230 173.195 175.510 -0.141 0.000 1.079 182 N CA -1.345 51.634 53.050 -0.119 0.000 0.893 182 N CB 2.553 40.959 38.487 -0.135 0.000 1.512 182 N HN -0.095 nan 8.380 nan 0.000 0.497 183 P HA -0.058 nan 4.420 nan 0.000 0.221 183 P C 1.166 178.285 177.300 -0.301 0.000 1.145 183 P CA 0.664 63.672 63.100 -0.154 0.000 0.795 183 P CB 0.521 32.172 31.700 -0.083 0.000 0.775 184 V N -0.018 119.673 119.914 -0.372 0.000 3.305 184 V HA -0.122 3.998 4.120 -0.000 0.000 0.269 184 V C 2.446 178.067 176.094 -0.789 0.000 1.157 184 V CA 1.005 62.849 62.300 -0.761 0.000 1.157 184 V CB -1.102 30.431 31.823 -0.484 0.000 0.772 184 V HN 0.156 nan 8.190 nan 0.000 0.498 185 R N 0.963 121.200 120.500 -0.439 0.000 2.148 185 R HA -0.156 4.184 4.340 -0.000 0.000 0.223 185 R C 2.112 178.233 176.300 -0.298 0.000 1.088 185 R CA 1.569 57.493 56.100 -0.293 0.000 0.985 185 R CB -0.089 30.109 30.300 -0.169 0.000 0.880 185 R HN 0.684 nan 8.270 nan 0.000 0.451 186 E N 0.088 120.072 120.200 -0.361 0.000 2.160 186 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 186 E C 0.426 176.832 176.600 -0.324 0.000 0.991 186 E CA 1.444 57.697 56.400 -0.245 0.000 0.810 186 E CB -0.045 29.547 29.700 -0.181 0.000 0.742 186 E HN 0.584 nan 8.360 nan 0.000 0.466 187 Y N -3.660 116.348 120.300 -0.487 0.000 2.707 187 Y HA 0.645 5.195 4.550 -0.000 0.000 0.249 187 Y C 1.246 177.078 175.900 -0.113 0.000 1.166 187 Y CA -0.134 57.616 58.100 -0.582 0.000 1.184 187 Y CB -0.477 37.333 38.460 -1.083 0.000 1.240 187 Y HN 0.014 nan 8.280 nan 0.000 0.547 188 A N 0.996 123.717 122.820 -0.166 0.000 1.865 188 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 188 A C 2.173 179.849 177.584 0.153 0.000 1.191 188 A CA 2.710 54.734 52.037 -0.022 0.000 0.623 188 A CB -1.246 17.706 19.000 -0.081 0.000 0.826 188 A HN 0.478 nan 8.150 nan 0.000 0.444 189 T N -0.366 114.271 114.554 0.138 0.000 2.746 189 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 189 T C 1.927 176.757 174.700 0.218 0.000 1.039 189 T CA 1.562 63.757 62.100 0.159 0.000 1.142 189 T CB -0.637 68.315 68.868 0.139 0.000 0.866 189 T HN 0.613 nan 8.240 nan 0.000 0.444 190 G N 0.535 109.532 108.800 0.329 0.000 2.404 190 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.215 190 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.215 190 G C 1.360 176.510 174.900 0.417 0.000 1.174 190 G CA 0.436 45.788 45.100 0.421 0.000 0.780 190 G HN 0.475 nan 8.290 nan 0.000 0.537 191 F N 2.488 122.598 119.950 0.267 0.000 2.095 191 F HA -0.007 4.520 4.527 -0.000 0.000 0.298 191 F C 2.546 178.345 175.800 -0.001 0.000 1.104 191 F CA 1.779 59.765 58.000 -0.023 0.000 1.232 191 F CB -0.528 38.274 39.000 -0.329 0.000 0.987 191 F HN 0.108 nan 8.300 nan 0.000 0.475 192 G N -0.056 108.751 108.800 0.013 0.000 2.422 192 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 192 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 192 G C 1.734 176.582 174.900 -0.087 0.000 1.146 192 G CA 1.206 46.257 45.100 -0.081 0.000 0.769 192 G HN 0.369 nan 8.290 nan 0.000 0.547 193 V N 1.546 121.463 119.914 0.006 0.000 2.295 193 V HA -0.123 3.997 4.120 -0.000 0.000 0.246 193 V C 3.334 179.422 176.094 -0.010 0.000 1.049 193 V CA 1.978 64.290 62.300 0.019 0.000 1.024 193 V CB -0.956 30.909 31.823 0.070 0.000 0.648 193 V HN 0.479 nan 8.190 nan 0.000 0.447 194 A N 0.016 122.836 122.820 0.000 0.000 1.892 194 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 194 A C 2.415 179.937 177.584 -0.104 0.000 1.188 194 A CA 2.400 54.438 52.037 0.002 0.000 0.631 194 A CB -0.885 18.173 19.000 0.097 0.000 0.822 194 A HN 0.329 nan 8.150 nan 0.000 0.447 195 V N -0.103 119.640 119.914 -0.286 0.000 2.252 195 V HA -0.314 3.806 4.120 -0.000 0.000 0.249 195 V C 3.078 179.092 176.094 -0.133 0.000 1.056 195 V CA 2.227 64.354 62.300 -0.288 0.000 1.022 195 V CB -1.464 30.091 31.823 -0.446 0.000 0.641 195 V HN 0.669 nan 8.190 nan 0.000 0.445 196 A N -0.228 122.533 122.820 -0.099 0.000 1.873 196 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 196 A C 2.530 180.095 177.584 -0.032 0.000 1.193 196 A CA 3.074 55.082 52.037 -0.048 0.000 0.629 196 A CB -1.275 17.708 19.000 -0.027 0.000 0.826 196 A HN 0.544 nan 8.150 nan 0.000 0.447 197 T N -1.130 113.414 114.554 -0.016 0.000 2.720 197 T HA -0.242 4.108 4.350 -0.000 0.000 0.268 197 T C 2.081 176.792 174.700 0.017 0.000 1.037 197 T CA 1.902 64.008 62.100 0.010 0.000 1.144 197 T CB -0.380 68.514 68.868 0.043 0.000 0.864 197 T HN 0.550 nan 8.240 nan 0.000 0.444 198 R N 0.179 120.686 120.500 0.012 0.000 2.080 198 R HA -0.115 4.225 4.340 -0.000 0.000 0.236 198 R C 2.390 178.688 176.300 -0.003 0.000 1.137 198 R CA 1.908 58.022 56.100 0.024 0.000 0.943 198 R CB -0.288 30.014 30.300 0.004 0.000 0.846 198 R HN 0.385 nan 8.270 nan 0.000 0.431 199 E N 0.255 120.434 120.200 -0.035 0.000 2.204 199 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 199 E C 1.761 178.305 176.600 -0.092 0.000 0.990 199 E CA 1.130 57.495 56.400 -0.058 0.000 0.821 199 E CB -0.158 29.507 29.700 -0.059 0.000 0.750 199 E HN 0.308 nan 8.360 nan 0.000 0.477 200 M N 0.048 119.599 119.600 -0.082 0.000 2.288 200 M HA 0.081 4.561 4.480 -0.000 0.000 0.266 200 M C 1.949 178.124 176.300 -0.209 0.000 1.072 200 M CA 0.998 56.226 55.300 -0.121 0.000 1.132 200 M CB -0.205 32.346 32.600 -0.081 0.000 1.386 200 M HN 0.048 nan 8.290 nan 0.000 0.432 201 A N -0.351 122.380 122.820 -0.148 0.000 1.969 201 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 201 A C 2.090 179.671 177.584 -0.005 0.000 1.169 201 A CA 1.594 53.569 52.037 -0.103 0.000 0.635 201 A CB -0.578 18.593 19.000 0.286 0.000 0.810 201 A HN 0.529 nan 8.150 nan 0.000 0.445 202 K N -0.192 120.197 120.400 -0.017 0.000 2.283 202 K HA -0.074 4.246 4.320 -0.000 0.000 0.202 202 K C 1.374 177.933 176.600 -0.069 0.000 1.048 202 K CA 1.351 57.630 56.287 -0.013 0.000 0.948 202 K CB -0.025 32.457 32.500 -0.029 0.000 0.742 202 K HN 0.457 nan 8.250 nan 0.000 0.458 203 K N -0.257 120.048 120.400 -0.159 0.000 2.355 203 K HA 0.162 4.482 4.320 -0.000 0.000 0.198 203 K C 1.373 177.899 176.600 -0.124 0.000 1.039 203 K CA 0.147 56.306 56.287 -0.212 0.000 1.075 203 K CB 0.607 32.781 32.500 -0.544 0.000 0.870 203 K HN 0.044 nan 8.250 nan 0.000 0.540 204 L N -1.036 120.061 121.223 -0.209 0.000 2.537 204 L HA 0.162 4.502 4.340 -0.000 0.000 0.224 204 L C 1.049 177.764 176.870 -0.259 0.000 1.065 204 L CA 0.193 54.827 54.840 -0.344 0.000 0.860 204 L CB 0.330 41.918 42.059 -0.785 0.000 1.086 204 L HN 0.285 nan 8.230 nan 0.000 0.482 205 W N -1.101 120.226 121.300 0.045 0.000 2.413 205 W HA 0.405 5.065 4.660 -0.000 0.000 0.288 205 W C 1.357 177.889 176.519 0.022 0.000 0.958 205 W CA 0.552 57.918 57.345 0.035 0.000 1.333 205 W CB 0.003 29.485 29.460 0.035 0.000 1.002 205 W HN 0.180 nan 8.180 nan 0.000 0.562 206 G N 1.027 109.943 108.800 0.194 0.000 2.195 206 G HA2 0.026 3.986 3.960 -0.000 0.000 0.246 206 G HA3 0.026 3.986 3.960 -0.000 0.000 0.246 206 G C 0.405 175.373 174.900 0.114 0.000 0.984 206 G CA 0.143 45.313 45.100 0.117 0.000 0.633 206 G HN 0.715 nan 8.290 nan 0.000 0.525 207 G N -1.550 107.352 108.800 0.171 0.000 2.443 207 G HA2 0.555 4.515 3.960 -0.000 0.000 0.303 207 G HA3 0.555 4.515 3.960 -0.000 0.000 0.303 207 G C 0.203 175.219 174.900 0.194 0.000 1.613 207 G CA 0.109 45.291 45.100 0.137 0.000 0.879 207 G HN 0.904 nan 8.290 nan 0.000 0.632 208 I N -0.075 120.589 120.570 0.158 0.000 3.226 208 I HA 0.211 4.381 4.170 -0.000 0.000 0.277 208 I C 1.186 177.359 176.117 0.093 0.000 1.243 208 I CA 0.259 61.664 61.300 0.174 0.000 1.459 208 I CB 0.061 38.150 38.000 0.148 0.000 1.093 208 I HN 0.668 nan 8.210 nan 0.000 0.453 209 E N 0.433 120.672 120.200 0.066 0.000 2.313 209 E HA 0.474 4.824 4.350 -0.000 0.000 0.272 209 E C 0.526 177.129 176.600 0.006 0.000 1.038 209 E CA -0.108 56.312 56.400 0.033 0.000 0.863 209 E CB 0.918 30.634 29.700 0.027 0.000 1.060 209 E HN 0.225 nan 8.360 nan 0.000 0.402 210 G N 1.596 110.390 108.800 -0.011 0.000 2.303 210 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 210 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 210 G C -0.625 174.229 174.900 -0.076 0.000 1.106 210 G CA 0.083 45.159 45.100 -0.040 0.000 0.900 210 G HN 0.431 nan 8.290 nan 0.000 0.495 211 K N 0.757 121.119 120.400 -0.063 0.000 2.397 211 K HA 0.707 5.027 4.320 -0.000 0.000 0.253 211 K C 0.600 177.167 176.600 -0.055 0.000 0.932 211 K CA -0.049 56.172 56.287 -0.110 0.000 0.795 211 K CB 1.390 33.836 32.500 -0.091 0.000 1.159 211 K HN 0.330 nan 8.250 nan 0.000 0.424 212 T N -0.681 113.834 114.554 -0.065 0.000 2.899 212 T HA 0.570 4.920 4.350 -0.000 0.000 0.295 212 T C -0.057 174.659 174.700 0.028 0.000 1.033 212 T CA -0.759 61.330 62.100 -0.019 0.000 1.084 212 T CB 0.847 69.708 68.868 -0.011 0.000 0.979 212 T HN 0.125 nan 8.240 nan 0.000 0.532 213 V N 0.986 120.925 119.914 0.041 0.000 2.638 213 V HA 0.714 4.834 4.120 -0.000 0.000 0.306 213 V C -0.209 175.938 176.094 0.087 0.000 1.052 213 V CA -1.152 61.194 62.300 0.077 0.000 0.885 213 V CB 1.750 33.611 31.823 0.063 0.000 0.999 213 V HN 1.290 nan 8.190 nan 0.000 0.424 214 A N 6.009 128.922 122.820 0.154 0.000 2.291 214 A HA 0.890 5.210 4.320 -0.000 0.000 0.311 214 A C -0.853 176.853 177.584 0.202 0.000 1.224 214 A CA -0.362 51.791 52.037 0.192 0.000 0.821 214 A CB 0.493 19.646 19.000 0.254 0.000 1.172 214 A HN 0.765 nan 8.150 nan 0.000 0.494 215 I N 2.295 122.923 120.570 0.097 0.000 2.382 215 I HA 0.244 4.414 4.170 -0.000 0.000 0.286 215 I C 0.212 176.351 176.117 0.038 0.000 1.002 215 I CA -0.242 61.076 61.300 0.030 0.000 1.135 215 I CB 1.906 39.917 38.000 0.019 0.000 1.288 215 I HN 0.767 nan 8.210 nan 0.000 0.448 216 Q N 6.641 126.451 119.800 0.017 0.000 2.349 216 Q HA 0.541 4.881 4.340 -0.000 0.000 0.254 216 Q C -0.193 175.817 176.000 0.018 0.000 0.980 216 Q CA -0.207 55.613 55.803 0.028 0.000 0.924 216 Q CB 1.099 29.873 28.738 0.060 0.000 1.209 216 Q HN 0.929 nan 8.270 nan 0.000 0.445 217 G N 4.108 112.927 108.800 0.031 0.000 2.911 217 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.686 217 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.686 217 G C -0.404 174.520 174.900 0.040 0.000 1.136 217 G CA -0.651 44.472 45.100 0.038 0.000 0.764 217 G HN 0.545 nan 8.290 nan 0.000 0.626 218 M N 2.659 122.283 119.600 0.040 0.000 2.785 218 M HA 0.271 4.751 4.480 -0.000 0.000 0.374 218 M C 1.501 177.806 176.300 0.008 0.000 1.221 218 M CA 0.098 55.414 55.300 0.027 0.000 0.912 218 M CB -0.015 32.609 32.600 0.039 0.000 1.355 218 M HN 0.875 nan 8.290 nan 0.000 0.513 219 G N 1.099 109.918 108.800 0.031 0.000 2.679 219 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.158 219 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.158 219 G C 0.862 175.799 174.900 0.062 0.000 1.702 219 G CA 0.096 45.221 45.100 0.042 0.000 1.041 219 G HN 0.502 nan 8.290 nan 0.000 0.507 220 N N -1.398 117.375 118.700 0.121 0.000 2.290 220 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 220 N C 2.260 177.968 175.510 0.330 0.000 1.016 220 N CA 0.711 53.902 53.050 0.234 0.000 0.871 220 N CB 0.140 38.752 38.487 0.208 0.000 0.987 220 N HN 0.198 nan 8.380 nan 0.000 0.431 221 V N 0.609 120.655 119.914 0.221 0.000 2.278 221 V HA 0.016 4.136 4.120 -0.000 0.000 0.238 221 V C 2.576 178.795 176.094 0.208 0.000 1.039 221 V CA 1.861 64.301 62.300 0.232 0.000 1.017 221 V CB -1.236 30.676 31.823 0.148 0.000 0.657 221 V HN 0.374 nan 8.190 nan 0.000 0.462 222 G N 0.093 108.966 108.800 0.121 0.000 2.513 222 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.219 222 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.219 222 G C 1.687 176.637 174.900 0.083 0.000 1.160 222 G CA 1.423 46.576 45.100 0.089 0.000 0.767 222 G HN 0.428 nan 8.290 nan 0.000 0.571 223 R N -0.556 119.951 120.500 0.011 0.000 2.094 223 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 223 R C 2.352 178.545 176.300 -0.178 0.000 1.137 223 R CA 2.113 58.109 56.100 -0.173 0.000 0.943 223 R CB -0.442 29.616 30.300 -0.404 0.000 0.850 223 R HN 0.571 nan 8.270 nan 0.000 0.433 224 W N -0.423 120.995 121.300 0.196 0.000 2.658 224 W HA 0.082 4.742 4.660 0.000 0.000 0.263 224 W C 2.243 178.997 176.519 0.392 0.000 1.274 224 W CA 0.530 58.049 57.345 0.290 0.000 1.343 224 W CB 0.031 29.726 29.460 0.391 0.000 1.106 224 W HN 0.097 nan 8.180 nan 0.000 0.615 225 T N 0.417 115.243 114.554 0.453 0.000 2.777 225 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 225 T C 2.082 176.950 174.700 0.280 0.000 1.040 225 T CA 1.730 64.040 62.100 0.349 0.000 1.141 225 T CB -0.603 68.388 68.868 0.206 0.000 0.868 225 T HN 0.179 nan 8.240 nan 0.000 0.444 226 A N 0.362 123.303 122.820 0.202 0.000 1.933 226 A HA -0.083 4.237 4.320 -0.000 0.000 0.218 226 A C 2.080 179.744 177.584 0.133 0.000 1.175 226 A CA 1.450 53.564 52.037 0.128 0.000 0.628 226 A CB -0.907 18.142 19.000 0.081 0.000 0.814 226 A HN 0.612 nan 8.150 nan 0.000 0.444 227 Y N -1.327 119.001 120.300 0.046 0.000 2.133 227 Y HA -0.197 4.353 4.550 -0.000 0.000 0.287 227 Y C 2.099 177.939 175.900 -0.100 0.000 1.134 227 Y CA 1.864 59.919 58.100 -0.075 0.000 1.133 227 Y CB -0.456 37.910 38.460 -0.158 0.000 0.987 227 Y HN 0.417 nan 8.280 nan 0.000 0.502 228 W N -0.743 120.769 121.300 0.353 0.000 2.436 228 W HA -0.116 4.544 4.660 -0.000 0.000 0.284 228 W C 2.119 178.682 176.519 0.073 0.000 1.225 228 W CA 0.288 57.772 57.345 0.232 0.000 1.271 228 W CB -0.456 29.243 29.460 0.398 0.000 1.114 228 W HN 0.098 nan 8.180 nan 0.000 0.559 229 L N 1.223 122.611 121.223 0.275 0.000 2.079 229 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 229 L C 2.365 179.278 176.870 0.073 0.000 1.081 229 L CA 2.432 57.365 54.840 0.154 0.000 0.752 229 L CB -1.404 40.731 42.059 0.126 0.000 0.896 229 L HN 0.136 nan 8.230 nan 0.000 0.433 230 E N -0.062 120.137 120.200 -0.003 0.000 2.017 230 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 230 E C 2.112 178.673 176.600 -0.065 0.000 0.997 230 E CA 1.791 58.150 56.400 -0.068 0.000 0.804 230 E CB -0.397 29.211 29.700 -0.153 0.000 0.757 230 E HN 0.212 nan 8.360 nan 0.000 0.448 231 K N -0.630 119.695 120.400 -0.125 0.000 2.442 231 K HA -0.035 4.285 4.320 -0.000 0.000 0.200 231 K C 1.759 178.406 176.600 0.078 0.000 1.045 231 K CA 1.498 57.753 56.287 -0.053 0.000 0.937 231 K CB -0.068 32.390 32.500 -0.070 0.000 0.757 231 K HN 0.351 nan 8.250 nan 0.000 0.474 232 M N -2.462 117.198 119.600 0.100 0.000 2.509 232 M HA 0.141 4.621 4.480 -0.000 0.000 0.250 232 M C 1.138 177.478 176.300 0.066 0.000 1.132 232 M CA 0.818 56.182 55.300 0.106 0.000 1.080 232 M CB 1.020 33.688 32.600 0.114 0.000 1.408 232 M HN 0.379 nan 8.290 nan 0.000 0.484 233 G N 0.049 108.875 108.800 0.043 0.000 2.797 233 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.195 233 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.195 233 G C 0.329 175.242 174.900 0.021 0.000 1.026 233 G CA -0.204 44.914 45.100 0.030 0.000 0.759 233 G HN 0.556 nan 8.290 nan 0.000 0.475 234 A N 0.294 123.134 122.820 0.034 0.000 2.387 234 A HA 0.587 4.907 4.320 -0.000 0.000 0.251 234 A C 0.496 178.079 177.584 -0.002 0.000 1.113 234 A CA 1.296 53.349 52.037 0.027 0.000 0.794 234 A CB 0.260 19.293 19.000 0.055 0.000 1.069 234 A HN 0.664 nan 8.150 nan 0.000 0.506 235 K N 0.668 121.061 120.400 -0.012 0.000 2.616 235 K HA 0.462 4.782 4.320 -0.000 0.000 0.241 235 K C -1.569 175.008 176.600 -0.039 0.000 0.961 235 K CA -0.441 55.825 56.287 -0.035 0.000 0.942 235 K CB 1.150 33.623 32.500 -0.046 0.000 1.153 235 K HN 0.442 nan 8.250 nan 0.000 0.452 236 V N 6.800 126.685 119.914 -0.048 0.000 2.479 236 V HA 0.045 4.165 4.120 -0.000 0.000 0.281 236 V C 1.319 177.346 176.094 -0.112 0.000 1.031 236 V CA 0.175 62.439 62.300 -0.059 0.000 1.038 236 V CB 0.423 32.206 31.823 -0.067 0.000 0.981 236 V HN 0.776 nan 8.190 nan 0.000 0.478 237 I N 1.881 122.397 120.570 -0.090 0.000 4.187 237 I HA 0.677 4.847 4.170 -0.000 0.000 0.326 237 I C 0.722 176.779 176.117 -0.100 0.000 1.302 237 I CA 0.113 61.324 61.300 -0.149 0.000 1.196 237 I CB 0.590 38.515 38.000 -0.124 0.000 1.095 237 I HN 0.522 nan 8.210 nan 0.000 0.411 238 A N 1.932 124.740 122.820 -0.020 0.000 2.422 238 A HA 0.756 5.076 4.320 -0.000 0.000 0.302 238 A C -0.783 176.784 177.584 -0.028 0.000 1.041 238 A CA -0.333 51.723 52.037 0.031 0.000 0.708 238 A CB 1.931 21.012 19.000 0.134 0.000 1.257 238 A HN 0.506 nan 8.150 nan 0.000 0.414 239 V N 0.342 120.226 119.914 -0.051 0.000 2.711 239 V HA 0.873 4.993 4.120 -0.000 0.000 0.304 239 V C -0.313 175.794 176.094 0.022 0.000 1.097 239 V CA 0.084 62.365 62.300 -0.031 0.000 0.906 239 V CB 0.864 32.631 31.823 -0.094 0.000 1.015 239 V HN 1.565 nan 8.190 nan 0.000 0.427 240 S N 2.638 118.358 115.700 0.033 0.000 2.798 240 S HA 0.926 5.396 4.470 -0.000 0.000 0.312 240 S C -0.876 173.761 174.600 0.062 0.000 1.122 240 S CA -0.419 57.810 58.200 0.048 0.000 0.949 240 S CB 2.538 65.738 63.200 -0.000 0.000 1.235 240 S HN 1.169 nan 8.310 nan 0.000 0.552 241 D N -1.650 118.792 120.400 0.071 0.000 2.807 241 D HA 0.231 4.871 4.640 -0.000 0.000 0.279 241 D C 1.023 177.368 176.300 0.075 0.000 1.247 241 D CA -0.587 53.454 54.000 0.068 0.000 0.749 241 D CB 0.892 41.735 40.800 0.070 0.000 1.264 241 D HN 0.533 nan 8.370 nan 0.000 0.421 242 I N 1.029 121.639 120.570 0.066 0.000 2.147 242 I HA -0.387 3.783 4.170 -0.000 0.000 0.245 242 I C 2.177 178.344 176.117 0.083 0.000 1.059 242 I CA 1.861 63.200 61.300 0.066 0.000 1.320 242 I CB -0.541 37.491 38.000 0.054 0.000 1.021 242 I HN 0.456 nan 8.210 nan 0.000 0.415 243 N N 1.105 119.867 118.700 0.103 0.000 2.166 243 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 243 N C 0.888 176.541 175.510 0.239 0.000 1.019 243 N CA 1.819 54.963 53.050 0.156 0.000 0.856 243 N CB -0.374 38.196 38.487 0.139 0.000 0.993 243 N HN 0.472 nan 8.380 nan 0.000 0.426 244 G N -1.364 107.577 108.800 0.235 0.000 2.344 244 G HA2 0.358 4.318 3.960 -0.000 0.000 0.282 244 G HA3 0.358 4.318 3.960 -0.000 0.000 0.282 244 G C -2.124 172.893 174.900 0.194 0.000 1.281 244 G CA -0.203 45.020 45.100 0.205 0.000 0.877 244 G HN 0.113 nan 8.290 nan 0.000 0.494 245 V N 0.305 120.302 119.914 0.139 0.000 2.680 245 V HA 0.795 4.915 4.120 -0.000 0.000 0.309 245 V C 0.393 176.622 176.094 0.224 0.000 1.052 245 V CA -0.191 62.183 62.300 0.122 0.000 0.908 245 V CB 1.437 33.265 31.823 0.008 0.000 1.001 245 V HN 1.719 nan 8.190 nan 0.000 0.431 246 A N 3.817 126.746 122.820 0.181 0.000 2.258 246 A HA 0.760 5.080 4.320 -0.000 0.000 0.316 246 A C -1.293 176.356 177.584 0.109 0.000 1.279 246 A CA -0.368 51.773 52.037 0.174 0.000 0.876 246 A CB 0.458 19.532 19.000 0.122 0.000 1.170 246 A HN 0.805 nan 8.150 nan 0.000 0.520 247 Y N 1.872 122.168 120.300 -0.008 0.000 2.528 247 Y HA 0.767 5.317 4.550 -0.000 0.000 0.335 247 Y C 0.048 175.921 175.900 -0.045 0.000 1.093 247 Y CA -1.171 56.901 58.100 -0.046 0.000 1.134 247 Y CB 1.670 40.111 38.460 -0.032 0.000 1.253 247 Y HN 0.735 nan 8.280 nan 0.000 0.478 248 R N 4.245 124.184 120.500 -0.935 0.000 3.119 248 R HA 0.188 4.528 4.340 -0.000 0.000 0.294 248 R C -0.294 175.549 176.300 -0.762 0.000 1.267 248 R CA -0.385 55.316 56.100 -0.666 0.000 1.078 248 R CB 0.641 30.750 30.300 -0.318 0.000 1.320 248 R HN 0.849 nan 8.270 nan 0.000 0.380 249 K N 1.539 121.499 120.400 -0.734 0.000 2.032 249 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 249 K C 0.743 177.209 176.600 -0.223 0.000 1.048 249 K CA 2.046 58.093 56.287 -0.400 0.000 0.927 249 K CB 0.140 32.543 32.500 -0.162 0.000 0.712 249 K HN 0.463 nan 8.250 nan 0.000 0.441 250 E N -0.207 119.887 120.200 -0.177 0.000 2.171 250 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 250 E C 0.651 177.179 176.600 -0.121 0.000 0.997 250 E CA 1.118 57.449 56.400 -0.116 0.000 0.810 250 E CB -0.006 29.640 29.700 -0.090 0.000 0.738 250 E HN 0.478 nan 8.360 nan 0.000 0.467 251 G N -1.158 107.543 108.800 -0.166 0.000 2.453 251 G HA2 0.006 3.966 3.960 -0.000 0.000 0.665 251 G HA3 0.006 3.966 3.960 -0.000 0.000 0.665 251 G C -1.248 173.561 174.900 -0.151 0.000 1.411 251 G CA -0.988 44.020 45.100 -0.153 0.000 0.889 251 G HN 0.049 nan 8.290 nan 0.000 0.651 252 L N 0.902 122.017 121.223 -0.180 0.000 2.326 252 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 252 L C 0.756 177.596 176.870 -0.051 0.000 1.092 252 L CA -0.941 53.787 54.840 -0.187 0.000 0.810 252 L CB 1.395 43.167 42.059 -0.477 0.000 1.153 252 L HN 0.612 nan 8.230 nan 0.000 0.439 253 N N 1.832 120.579 118.700 0.077 0.000 2.448 253 N HA 0.081 4.821 4.740 -0.000 0.000 0.250 253 N C 0.856 176.491 175.510 0.208 0.000 1.136 253 N CA -0.399 52.708 53.050 0.095 0.000 0.953 253 N CB 1.011 39.542 38.487 0.074 0.000 1.251 253 N HN 0.469 nan 8.380 nan 0.000 0.502 254 V N 0.693 120.684 119.914 0.127 0.000 2.759 254 V HA -0.067 4.053 4.120 -0.000 0.000 0.256 254 V C 1.675 177.856 176.094 0.145 0.000 1.080 254 V CA 1.148 63.553 62.300 0.175 0.000 1.101 254 V CB -0.484 31.369 31.823 0.049 0.000 0.698 254 V HN 0.519 nan 8.190 nan 0.000 0.477 255 E N 0.855 121.095 120.200 0.068 0.000 2.333 255 E HA -0.161 4.189 4.350 -0.000 0.000 0.200 255 E C 1.929 178.561 176.600 0.053 0.000 1.010 255 E CA 1.387 57.844 56.400 0.095 0.000 0.841 255 E CB -0.285 29.432 29.700 0.029 0.000 0.757 255 E HN 0.684 nan 8.360 nan 0.000 0.508 256 L N -0.066 121.155 121.223 -0.003 0.000 2.465 256 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 256 L C 2.147 178.911 176.870 -0.177 0.000 1.145 256 L CA 0.277 55.044 54.840 -0.120 0.000 0.834 256 L CB -0.192 41.719 42.059 -0.247 0.000 0.944 256 L HN 0.103 nan 8.230 nan 0.000 0.451 257 I N -0.849 119.640 120.570 -0.135 0.000 2.270 257 I HA -0.214 3.956 4.170 -0.000 0.000 0.239 257 I C 2.529 178.479 176.117 -0.277 0.000 1.080 257 I CA 0.656 61.797 61.300 -0.266 0.000 1.383 257 I CB -0.169 37.633 38.000 -0.331 0.000 1.097 257 I HN 0.162 nan 8.210 nan 0.000 0.420 258 Q N 1.349 121.024 119.800 -0.208 0.000 2.308 258 Q HA -0.191 4.149 4.340 -0.000 0.000 0.209 258 Q C 1.751 177.722 176.000 -0.048 0.000 0.985 258 Q CA 1.610 57.336 55.803 -0.128 0.000 0.881 258 Q CB 0.055 28.729 28.738 -0.106 0.000 0.917 258 Q HN 0.255 nan 8.270 nan 0.000 0.443 259 K N -0.866 119.496 120.400 -0.063 0.000 2.361 259 K HA 0.160 4.480 4.320 -0.000 0.000 0.194 259 K C 0.006 176.560 176.600 -0.076 0.000 1.032 259 K CA 0.289 56.545 56.287 -0.051 0.000 1.048 259 K CB 0.419 32.891 32.500 -0.047 0.000 0.842 259 K HN 0.199 nan 8.250 nan 0.000 0.526 260 N N 1.786 120.414 118.700 -0.120 0.000 2.672 260 N HA 0.029 4.769 4.740 -0.000 0.000 0.295 260 N C -0.882 174.535 175.510 -0.156 0.000 1.924 260 N CA -0.199 52.770 53.050 -0.135 0.000 0.851 260 N CB 0.858 39.237 38.487 -0.179 0.000 1.281 260 N HN 0.101 nan 8.380 nan 0.000 0.494 261 K N -0.934 119.403 120.400 -0.106 0.000 2.117 261 K HA 0.413 4.733 4.320 -0.000 0.000 0.240 261 K C 0.845 177.425 176.600 -0.035 0.000 1.031 261 K CA 0.006 56.241 56.287 -0.086 0.000 0.909 261 K CB 0.583 33.134 32.500 0.084 0.000 1.097 261 K HN 0.051 nan 8.250 nan 0.000 0.492 262 G N 0.473 109.273 108.800 -0.000 0.000 2.361 262 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.294 262 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.294 262 G C 0.026 174.911 174.900 -0.026 0.000 1.004 262 G CA 0.185 45.289 45.100 0.007 0.000 0.870 262 G HN 0.453 nan 8.290 nan 0.000 0.510 263 L N 0.711 121.898 121.223 -0.059 0.000 3.094 263 L HA 0.349 4.689 4.340 -0.000 0.000 0.254 263 L C 1.240 178.072 176.870 -0.064 0.000 1.298 263 L CA 1.352 56.150 54.840 -0.070 0.000 1.050 263 L CB -1.188 40.808 42.059 -0.105 0.000 1.420 263 L HN 0.490 nan 8.230 nan 0.000 0.548 264 T N -1.033 113.497 114.554 -0.040 0.000 0.541 264 T HA -0.203 4.147 4.350 -0.000 0.000 0.774 264 T C 1.184 175.861 174.700 -0.038 0.000 0.992 264 T CA 0.908 62.990 62.100 -0.030 0.000 4.077 264 T CB -0.375 68.476 68.868 -0.028 0.000 2.303 264 T HN 0.574 nan 8.240 nan 0.000 0.398 265 G N 1.173 109.964 108.800 -0.015 0.000 2.564 265 G HA2 0.183 4.143 3.960 -0.000 0.000 0.212 265 G HA3 0.183 4.143 3.960 -0.000 0.000 0.212 265 G C -0.713 174.189 174.900 0.005 0.000 1.199 265 G CA 0.799 45.896 45.100 -0.004 0.000 0.832 265 G HN 0.704 nan 8.290 nan 0.000 0.565 266 P HA -0.096 nan 4.420 nan 0.000 0.217 266 P C 1.835 179.122 177.300 -0.021 0.000 1.148 266 P CA 1.967 65.076 63.100 0.015 0.000 0.828 266 P CB -0.085 31.627 31.700 0.020 0.000 0.783 267 A N -0.282 122.513 122.820 -0.042 0.000 2.067 267 A HA -0.060 4.260 4.320 -0.000 0.000 0.219 267 A C 2.382 179.901 177.584 -0.107 0.000 1.158 267 A CA 0.887 52.879 52.037 -0.076 0.000 0.661 267 A CB -1.335 17.621 19.000 -0.074 0.000 0.801 267 A HN 0.147 nan 8.150 nan 0.000 0.452 268 L N -0.776 120.390 121.223 -0.094 0.000 2.131 268 L HA -0.095 4.245 4.340 -0.000 0.000 0.206 268 L C 2.414 179.249 176.870 -0.059 0.000 1.087 268 L CA 0.685 55.429 54.840 -0.161 0.000 0.767 268 L CB -0.583 41.406 42.059 -0.118 0.000 0.917 268 L HN 0.221 nan 8.230 nan 0.000 0.441 269 V N 0.280 120.246 119.914 0.087 0.000 2.343 269 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 269 V C 2.332 178.465 176.094 0.065 0.000 1.051 269 V CA 1.867 64.287 62.300 0.200 0.000 1.036 269 V CB -0.526 31.377 31.823 0.134 0.000 0.654 269 V HN 0.475 nan 8.190 nan 0.000 0.451 270 E N -0.092 120.044 120.200 -0.107 0.000 2.106 270 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 270 E C 2.250 178.766 176.600 -0.140 0.000 0.984 270 E CA 0.922 57.193 56.400 -0.215 0.000 0.806 270 E CB -0.235 29.325 29.700 -0.233 0.000 0.750 270 E HN 0.343 nan 8.360 nan 0.000 0.458 271 L N 0.474 121.598 121.223 -0.166 0.000 2.042 271 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 271 L C 1.851 178.606 176.870 -0.192 0.000 1.076 271 L CA 1.780 56.484 54.840 -0.226 0.000 0.749 271 L CB -0.618 41.227 42.059 -0.358 0.000 0.893 271 L HN 0.123 nan 8.230 nan 0.000 0.432 272 F N 0.103 120.011 119.950 -0.070 0.000 2.494 272 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 272 F C 2.303 178.078 175.800 -0.043 0.000 1.106 272 F CA 1.407 59.378 58.000 -0.050 0.000 1.452 272 F CB -0.705 38.275 39.000 -0.033 0.000 1.085 272 F HN 0.174 nan 8.300 nan 0.000 0.569 273 T N -3.123 111.487 114.554 0.093 0.000 3.042 273 T HA 0.001 4.351 4.350 -0.000 0.000 0.245 273 T C 1.914 176.614 174.700 -0.000 0.000 1.029 273 T CA 1.058 63.183 62.100 0.042 0.000 1.120 273 T CB -0.282 68.569 68.868 -0.029 0.000 0.917 273 T HN 0.079 nan 8.240 nan 0.000 0.467 274 T N 2.246 116.776 114.554 -0.041 0.000 2.673 274 T HA 0.042 4.392 4.350 -0.000 0.000 0.248 274 T C 2.015 176.693 174.700 -0.037 0.000 1.080 274 T CA 0.550 62.622 62.100 -0.047 0.000 1.203 274 T CB -0.131 68.693 68.868 -0.073 0.000 0.893 274 T HN 0.112 nan 8.240 nan 0.000 0.404 275 K N 0.945 121.310 120.400 -0.058 0.000 2.057 275 K HA -0.024 4.296 4.320 -0.000 0.000 0.207 275 K C 0.879 177.466 176.600 -0.021 0.000 1.049 275 K CA 0.940 57.196 56.287 -0.052 0.000 0.931 275 K CB -0.259 32.188 32.500 -0.088 0.000 0.714 275 K HN 0.301 nan 8.250 nan 0.000 0.440 276 D N 0.571 120.975 120.400 0.006 0.000 2.437 276 D HA 0.049 4.689 4.640 -0.000 0.000 0.259 276 D C -0.292 176.037 176.300 0.048 0.000 1.118 276 D CA -0.502 53.531 54.000 0.055 0.000 1.017 276 D CB 0.627 41.526 40.800 0.165 0.000 1.120 276 D HN 0.082 nan 8.370 nan 0.000 0.541 277 N N 0.423 119.148 118.700 0.042 0.000 3.040 277 N HA 0.384 5.124 4.740 -0.000 0.000 0.305 277 N C -1.102 174.427 175.510 0.031 0.000 1.611 277 N CA -0.626 52.442 53.050 0.031 0.000 1.049 277 N CB 0.814 39.309 38.487 0.015 0.000 1.342 277 N HN 0.220 nan 8.380 nan 0.000 0.497 278 A N 0.685 123.539 122.820 0.057 0.000 2.306 278 A HA 0.435 4.755 4.320 -0.000 0.000 0.330 278 A C 0.169 177.815 177.584 0.102 0.000 1.146 278 A CA -0.643 51.422 52.037 0.047 0.000 0.827 278 A CB 1.207 20.232 19.000 0.041 0.000 1.178 278 A HN 0.464 nan 8.150 nan 0.000 0.490 279 E N -0.048 120.224 120.200 0.120 0.000 2.390 279 E HA 0.323 4.673 4.350 -0.000 0.000 0.261 279 E C -1.251 175.505 176.600 0.261 0.000 1.076 279 E CA 0.335 56.841 56.400 0.178 0.000 0.905 279 E CB 0.913 30.732 29.700 0.199 0.000 0.984 279 E HN 0.496 nan 8.360 nan 0.000 0.427 280 F N 2.956 122.944 119.950 0.062 0.000 2.610 280 F HA 0.335 4.862 4.527 -0.000 0.000 0.355 280 F C -1.048 174.772 175.800 0.034 0.000 1.140 280 F CA -0.979 57.052 58.000 0.052 0.000 1.037 280 F CB 0.920 39.949 39.000 0.047 0.000 1.287 280 F HN 0.250 nan 8.300 nan 0.000 0.457 281 V N 7.344 127.025 119.914 -0.387 0.000 2.686 281 V HA 0.264 4.384 4.120 -0.000 0.000 0.295 281 V C 0.738 176.359 176.094 -0.788 0.000 1.057 281 V CA -0.100 61.906 62.300 -0.490 0.000 1.012 281 V CB 1.729 33.411 31.823 -0.234 0.000 1.006 281 V HN 0.955 nan 8.190 nan 0.000 0.477 282 K N 3.444 123.490 120.400 -0.589 0.000 2.062 282 K HA 0.003 4.323 4.320 -0.000 0.000 0.205 282 K C 1.039 177.520 176.600 -0.199 0.000 1.051 282 K CA 0.812 56.847 56.287 -0.421 0.000 0.941 282 K CB -0.127 32.226 32.500 -0.245 0.000 0.719 282 K HN 0.739 nan 8.250 nan 0.000 0.440 283 N N 2.599 121.207 118.700 -0.153 0.000 2.420 283 N HA 0.004 4.744 4.740 -0.000 0.000 0.262 283 N C -2.029 173.446 175.510 -0.058 0.000 1.144 283 N CA -1.053 51.952 53.050 -0.075 0.000 0.952 283 N CB 1.087 39.539 38.487 -0.058 0.000 1.081 283 N HN -0.039 nan 8.380 nan 0.000 0.480 284 P HA 0.118 nan 4.420 nan 0.000 0.249 284 P C -0.549 176.746 177.300 -0.009 0.000 1.241 284 P CA 0.398 63.498 63.100 -0.001 0.000 0.781 284 P CB 0.361 32.083 31.700 0.036 0.000 1.088 285 D N -0.529 119.892 120.400 0.035 0.000 2.501 285 D HA 0.248 4.888 4.640 -0.000 0.000 0.226 285 D C 1.625 177.982 176.300 0.095 0.000 1.198 285 D CA -0.077 54.021 54.000 0.164 0.000 0.830 285 D CB 0.134 41.099 40.800 0.276 0.000 1.014 285 D HN 0.034 nan 8.370 nan 0.000 0.496 286 A N 0.732 123.510 122.820 -0.069 0.000 2.030 286 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 286 A C 2.028 179.497 177.584 -0.192 0.000 1.164 286 A CA 0.228 52.206 52.037 -0.098 0.000 0.697 286 A CB -0.380 18.547 19.000 -0.121 0.000 0.827 286 A HN 0.313 nan 8.150 nan 0.000 0.457 287 I N -2.115 118.263 120.570 -0.321 0.000 2.315 287 I HA -0.245 3.925 4.170 -0.000 0.000 0.251 287 I C 1.912 177.714 176.117 -0.525 0.000 1.125 287 I CA 1.672 62.743 61.300 -0.382 0.000 1.392 287 I CB -1.950 35.833 38.000 -0.362 0.000 1.065 287 I HN 0.202 nan 8.210 nan 0.000 0.424 288 F N 2.231 121.989 119.950 -0.319 0.000 2.051 288 F HA -0.078 4.449 4.527 -0.000 0.000 0.296 288 F C 2.530 178.147 175.800 -0.305 0.000 1.122 288 F CA 1.568 59.306 58.000 -0.437 0.000 1.201 288 F CB -0.983 37.855 39.000 -0.269 0.000 0.978 288 F HN 0.007 nan 8.300 nan 0.000 0.472 289 K N 0.378 120.774 120.400 -0.005 0.000 2.555 289 K HA 0.016 4.336 4.320 -0.000 0.000 0.193 289 K C 0.578 177.121 176.600 -0.095 0.000 1.032 289 K CA -0.022 56.237 56.287 -0.047 0.000 1.004 289 K CB -0.400 32.079 32.500 -0.036 0.000 0.804 289 K HN 0.181 nan 8.250 nan 0.000 0.496 290 L N 1.192 122.332 121.223 -0.138 0.000 2.479 290 L HA -0.048 4.292 4.340 -0.000 0.000 0.270 290 L C 0.418 177.237 176.870 -0.085 0.000 1.236 290 L CA 0.526 55.282 54.840 -0.140 0.000 0.823 290 L CB 0.466 42.439 42.059 -0.143 0.000 1.098 290 L HN 0.015 nan 8.230 nan 0.000 0.500 291 D N 2.152 122.518 120.400 -0.056 0.000 2.479 291 D HA 0.345 4.985 4.640 -0.000 0.000 0.247 291 D C -0.935 175.371 176.300 0.011 0.000 1.119 291 D CA -0.114 53.874 54.000 -0.020 0.000 0.922 291 D CB 0.562 41.350 40.800 -0.020 0.000 1.014 291 D HN 0.236 nan 8.370 nan 0.000 0.510 292 V N -0.017 119.910 119.914 0.021 0.000 3.164 292 V HA 0.535 4.655 4.120 -0.000 0.000 0.313 292 V C 0.792 176.910 176.094 0.040 0.000 1.188 292 V CA -0.707 61.616 62.300 0.039 0.000 1.058 292 V CB 2.103 33.973 31.823 0.078 0.000 1.110 292 V HN 0.057 nan 8.190 nan 0.000 0.453 293 D N 0.017 120.430 120.400 0.022 0.000 2.216 293 D HA 0.280 4.920 4.640 -0.000 0.000 0.208 293 D C 0.264 176.699 176.300 0.224 0.000 0.960 293 D CA 1.486 55.489 54.000 0.006 0.000 0.861 293 D CB 0.743 41.390 40.800 -0.254 0.000 0.985 293 D HN 0.499 nan 8.370 nan 0.000 0.493 294 I N 0.381 121.082 120.570 0.219 0.000 2.533 294 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 294 I C -1.176 175.105 176.117 0.272 0.000 1.056 294 I CA -0.977 60.487 61.300 0.274 0.000 1.057 294 I CB 2.550 40.707 38.000 0.262 0.000 1.240 294 I HN -0.267 nan 8.210 nan 0.000 0.423 295 F N 7.445 127.453 119.950 0.096 0.000 2.449 295 F HA 0.666 5.193 4.527 0.000 0.000 0.342 295 F C -0.959 174.880 175.800 0.065 0.000 1.127 295 F CA -1.036 57.005 58.000 0.067 0.000 0.975 295 F CB 1.430 40.473 39.000 0.073 0.000 1.146 295 F HN 0.066 nan 8.300 nan 0.000 0.444 296 V N 8.588 128.182 119.914 -0.533 0.000 2.266 296 V HA 0.327 4.447 4.120 -0.000 0.000 0.271 296 V C -2.272 173.460 176.094 -0.604 0.000 1.032 296 V CA -1.571 60.445 62.300 -0.474 0.000 0.806 296 V CB 0.925 32.659 31.823 -0.148 0.000 1.052 296 V HN 0.575 nan 8.190 nan 0.000 0.449 297 P HA 0.313 nan 4.420 nan 0.000 0.281 297 P C -0.140 177.070 177.300 -0.151 0.000 1.286 297 P CA -0.044 62.821 63.100 -0.392 0.000 0.772 297 P CB 1.553 33.105 31.700 -0.247 0.000 0.862 298 A N 2.962 125.739 122.820 -0.073 0.000 2.795 298 A HA 0.585 4.905 4.320 -0.000 0.000 0.282 298 A C 0.957 178.554 177.584 0.021 0.000 0.964 298 A CA 0.138 52.168 52.037 -0.011 0.000 1.045 298 A CB -0.015 18.991 19.000 0.010 0.000 1.174 298 A HN 0.464 nan 8.150 nan 0.000 0.493 299 A N 0.426 123.263 122.820 0.028 0.000 2.083 299 A HA 0.759 5.079 4.320 -0.000 0.000 0.209 299 A C 0.701 178.310 177.584 0.043 0.000 1.969 299 A CA 1.008 53.071 52.037 0.044 0.000 0.933 299 A CB -0.044 18.991 19.000 0.058 0.000 1.304 299 A HN 0.958 nan 8.150 nan 0.000 0.621 300 I N -3.110 117.490 120.570 0.051 0.000 3.550 300 I HA 0.657 4.827 4.170 -0.000 0.000 0.307 300 I C -1.219 174.922 176.117 0.039 0.000 1.178 300 I CA -1.229 60.094 61.300 0.039 0.000 1.001 300 I CB 1.035 39.058 38.000 0.038 0.000 1.360 300 I HN 0.151 nan 8.210 nan 0.000 0.477 301 E N -0.204 120.009 120.200 0.021 0.000 2.302 301 E HA 0.402 4.752 4.350 -0.000 0.000 0.255 301 E C -0.901 175.713 176.600 0.023 0.000 1.099 301 E CA -0.780 55.629 56.400 0.016 0.000 0.929 301 E CB 0.179 29.871 29.700 -0.013 0.000 1.203 301 E HN 0.689 nan 8.360 nan 0.000 0.459 302 N N -1.077 117.631 118.700 0.013 0.000 2.727 302 N HA -0.197 4.543 4.740 -0.000 0.000 0.249 302 N C 0.078 175.603 175.510 0.025 0.000 1.048 302 N CA 0.251 53.305 53.050 0.006 0.000 0.714 302 N CB -1.088 37.390 38.487 -0.014 0.000 0.959 302 N HN 0.143 nan 8.380 nan 0.000 0.544 303 V N -0.551 119.403 119.914 0.066 0.000 2.992 303 V HA 0.087 4.207 4.120 -0.000 0.000 0.250 303 V C 0.897 177.011 176.094 0.034 0.000 1.090 303 V CA 1.010 63.387 62.300 0.128 0.000 1.101 303 V CB 0.205 32.181 31.823 0.256 0.000 0.743 303 V HN 0.318 nan 8.190 nan 0.000 0.468 304 I N 1.257 121.847 120.570 0.034 0.000 2.495 304 I HA 0.396 4.566 4.170 -0.000 0.000 0.277 304 I C 0.079 176.175 176.117 -0.035 0.000 1.045 304 I CA -0.170 61.114 61.300 -0.028 0.000 1.135 304 I CB 0.965 39.023 38.000 0.097 0.000 1.241 304 I HN 0.134 nan 8.210 nan 0.000 0.469 305 R N 2.532 122.982 120.500 -0.085 0.000 2.810 305 R HA 0.523 4.863 4.340 -0.000 0.000 0.245 305 R C 1.386 177.651 176.300 -0.057 0.000 1.168 305 R CA -0.652 55.414 56.100 -0.056 0.000 1.096 305 R CB 0.687 30.950 30.300 -0.063 0.000 1.259 305 R HN 0.583 nan 8.270 nan 0.000 0.518 306 G N 0.382 109.161 108.800 -0.036 0.000 2.443 306 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 306 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 306 G C 0.714 175.588 174.900 -0.045 0.000 1.131 306 G CA 1.064 46.147 45.100 -0.029 0.000 0.775 306 G HN 0.786 nan 8.290 nan 0.000 0.547 307 D N 0.362 120.726 120.400 -0.059 0.000 2.363 307 D HA -0.037 4.603 4.640 -0.000 0.000 0.226 307 D C 1.437 177.680 176.300 -0.096 0.000 1.020 307 D CA 0.931 54.892 54.000 -0.065 0.000 0.892 307 D CB -0.125 40.639 40.800 -0.060 0.000 0.900 307 D HN 0.436 nan 8.370 nan 0.000 0.531 308 N N -0.704 117.916 118.700 -0.133 0.000 2.036 308 N HA 0.181 4.921 4.740 -0.000 0.000 0.228 308 N C 1.153 176.557 175.510 -0.177 0.000 1.368 308 N CA 0.282 53.216 53.050 -0.193 0.000 0.846 308 N CB -0.310 37.969 38.487 -0.348 0.000 1.145 308 N HN 0.132 nan 8.380 nan 0.000 0.502 309 A N 0.722 123.475 122.820 -0.111 0.000 1.969 309 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 309 A C 2.154 179.711 177.584 -0.046 0.000 1.169 309 A CA 1.600 53.596 52.037 -0.068 0.000 0.635 309 A CB -1.240 17.742 19.000 -0.029 0.000 0.810 309 A HN 0.371 nan 8.150 nan 0.000 0.445 310 G N 0.556 109.330 108.800 -0.044 0.000 2.432 310 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.219 310 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.219 310 G C 0.996 175.878 174.900 -0.031 0.000 1.135 310 G CA 0.898 45.981 45.100 -0.028 0.000 0.767 310 G HN 0.820 nan 8.290 nan 0.000 0.550 311 L N -0.258 120.935 121.223 -0.049 0.000 2.648 311 L HA 0.649 4.989 4.340 -0.000 0.000 0.238 311 L C -1.030 175.818 176.870 -0.037 0.000 1.316 311 L CA -0.602 54.213 54.840 -0.041 0.000 1.241 311 L CB 0.599 42.632 42.059 -0.043 0.000 1.499 311 L HN -0.220 nan 8.230 nan 0.000 0.411 312 V N 1.407 121.303 119.914 -0.029 0.000 2.488 312 V HA 0.347 4.467 4.120 -0.000 0.000 0.293 312 V C 0.453 176.542 176.094 -0.009 0.000 1.027 312 V CA -0.552 61.730 62.300 -0.028 0.000 0.862 312 V CB 1.753 33.571 31.823 -0.008 0.000 1.008 312 V HN 0.386 nan 8.190 nan 0.000 0.428 313 K N 2.546 122.935 120.400 -0.018 0.000 2.166 313 K HA 0.274 4.594 4.320 -0.000 0.000 0.201 313 K C 1.133 177.759 176.600 0.044 0.000 1.052 313 K CA 0.812 57.103 56.287 0.006 0.000 0.969 313 K CB 0.093 32.587 32.500 -0.010 0.000 0.761 313 K HN 0.729 nan 8.250 nan 0.000 0.459 314 A N 3.658 126.513 122.820 0.058 0.000 2.591 314 A HA -0.088 4.232 4.320 -0.000 0.000 0.244 314 A C 1.064 178.744 177.584 0.159 0.000 1.031 314 A CA 0.232 52.351 52.037 0.137 0.000 0.767 314 A CB 0.108 19.239 19.000 0.219 0.000 0.942 314 A HN 0.267 nan 8.150 nan 0.000 0.514 315 R N 1.707 122.336 120.500 0.215 0.000 2.317 315 R HA 0.228 4.568 4.340 -0.000 0.000 0.208 315 R C -0.599 175.848 176.300 0.245 0.000 0.914 315 R CA 0.038 56.280 56.100 0.237 0.000 1.060 315 R CB -0.637 29.848 30.300 0.307 0.000 1.015 315 R HN 0.500 nan 8.270 nan 0.000 0.498 316 L N 0.582 121.960 121.223 0.259 0.000 2.541 316 L HA 0.338 4.678 4.340 -0.000 0.000 0.266 316 L C -1.523 175.444 176.870 0.162 0.000 0.966 316 L CA -0.724 54.216 54.840 0.167 0.000 0.871 316 L CB 2.478 44.637 42.059 0.168 0.000 1.232 316 L HN -0.191 nan 8.230 nan 0.000 0.408 317 V N 5.742 125.710 119.914 0.091 0.000 2.334 317 V HA 0.498 4.618 4.120 -0.000 0.000 0.281 317 V C -0.333 175.763 176.094 0.002 0.000 1.016 317 V CA -0.661 61.691 62.300 0.087 0.000 0.832 317 V CB 1.671 33.569 31.823 0.125 0.000 0.999 317 V HN 0.455 nan 8.190 nan 0.000 0.439 318 V N 4.528 124.423 119.914 -0.032 0.000 2.333 318 V HA 0.306 4.426 4.120 -0.000 0.000 0.274 318 V C 0.374 176.418 176.094 -0.083 0.000 1.028 318 V CA -0.663 61.611 62.300 -0.043 0.000 0.851 318 V CB 1.294 33.106 31.823 -0.019 0.000 1.000 318 V HN 0.888 nan 8.190 nan 0.000 0.456 319 E N 3.529 123.697 120.200 -0.053 0.000 2.081 319 E HA 0.220 4.570 4.350 -0.000 0.000 0.270 319 E C 1.143 177.726 176.600 -0.028 0.000 1.180 319 E CA 0.197 56.568 56.400 -0.048 0.000 0.926 319 E CB 0.975 30.666 29.700 -0.016 0.000 1.035 319 E HN 0.879 nan 8.360 nan 0.000 0.418 320 G N 2.759 111.535 108.800 -0.040 0.000 2.662 320 G HA2 0.125 4.085 3.960 -0.000 0.000 0.212 320 G HA3 0.125 4.085 3.960 -0.000 0.000 0.212 320 G C 0.576 175.485 174.900 0.015 0.000 1.141 320 G CA 0.329 45.428 45.100 -0.001 0.000 0.797 320 G HN 0.543 nan 8.290 nan 0.000 0.531 321 A N 0.150 122.971 122.820 0.001 0.000 2.256 321 A HA 0.615 4.935 4.320 -0.000 0.000 0.318 321 A C -0.240 177.356 177.584 0.019 0.000 1.103 321 A CA -0.691 51.356 52.037 0.017 0.000 0.860 321 A CB 0.517 19.527 19.000 0.017 0.000 1.182 321 A HN 0.115 nan 8.150 nan 0.000 0.501 322 N N 0.505 119.218 118.700 0.023 0.000 2.411 322 N HA 0.367 5.107 4.740 -0.000 0.000 0.259 322 N C 0.713 176.235 175.510 0.019 0.000 1.103 322 N CA 1.312 54.377 53.050 0.024 0.000 0.954 322 N CB 0.918 39.421 38.487 0.027 0.000 1.085 322 N HN 1.231 nan 8.380 nan 0.000 0.485 323 G N 3.951 112.762 108.800 0.019 0.000 2.366 323 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.299 323 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.299 323 G C -1.261 173.650 174.900 0.019 0.000 1.020 323 G CA -0.255 44.853 45.100 0.015 0.000 1.026 323 G HN 0.518 nan 8.290 nan 0.000 0.512 324 P HA 0.066 nan 4.420 nan 0.000 0.235 324 P C 0.516 177.851 177.300 0.059 0.000 1.177 324 P CA 0.816 63.945 63.100 0.048 0.000 0.785 324 P CB 0.508 32.240 31.700 0.054 0.000 0.885 325 T N 0.433 115.016 114.554 0.048 0.000 2.794 325 T HA 0.335 4.685 4.350 -0.000 0.000 0.280 325 T C 0.047 174.770 174.700 0.038 0.000 0.987 325 T CA -0.079 62.052 62.100 0.052 0.000 0.993 325 T CB 1.280 70.183 68.868 0.059 0.000 0.939 325 T HN -0.170 nan 8.240 nan 0.000 0.449 326 T N 5.060 119.634 114.554 0.033 0.000 2.910 326 T HA 0.218 4.568 4.350 -0.000 0.000 0.293 326 T C -1.381 173.347 174.700 0.047 0.000 1.015 326 T CA -1.416 60.702 62.100 0.030 0.000 1.094 326 T CB 1.164 70.040 68.868 0.013 0.000 0.968 326 T HN 0.267 nan 8.240 nan 0.000 0.521 327 P HA -0.132 nan 4.420 nan 0.000 0.218 327 P C 0.903 178.241 177.300 0.065 0.000 1.146 327 P CA 0.795 63.935 63.100 0.066 0.000 0.813 327 P CB 0.371 32.117 31.700 0.076 0.000 0.778 328 E N -0.746 119.484 120.200 0.051 0.000 2.016 328 E HA -0.122 4.228 4.350 -0.000 0.000 0.190 328 E C 2.984 179.614 176.600 0.049 0.000 0.985 328 E CA 0.301 56.727 56.400 0.044 0.000 0.802 328 E CB -0.187 29.528 29.700 0.026 0.000 0.762 328 E HN 0.216 nan 8.360 nan 0.000 0.448 329 A N 1.677 124.520 122.820 0.038 0.000 1.978 329 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 329 A C 1.013 178.636 177.584 0.065 0.000 1.170 329 A CA 1.034 53.093 52.037 0.036 0.000 0.636 329 A CB -0.626 18.385 19.000 0.019 0.000 0.810 329 A HN 0.549 nan 8.150 nan 0.000 0.448 330 E N -1.013 119.242 120.200 0.091 0.000 2.058 330 E HA -0.313 nan 4.350 nan 0.000 0.194 330 E C 2.160 178.904 176.600 0.239 0.000 0.997 330 E CA 1.211 57.706 56.400 0.158 0.000 0.801 330 E CB 0.087 29.887 29.700 0.167 0.000 0.746 330 E HN -0.002 8.298 8.360 0.082 0.109 0.450 331 R N 0.974 121.577 120.500 0.172 0.000 2.083 331 R HA -0.114 4.226 4.340 -0.000 0.000 0.237 331 R C 2.196 178.589 176.300 0.155 0.000 1.137 331 R CA 1.547 57.745 56.100 0.162 0.000 0.951 331 R CB -1.061 29.297 30.300 0.097 0.000 0.851 331 R HN 0.219 nan 8.270 nan 0.000 0.434 332 I N 0.063 120.696 120.570 0.105 0.000 2.179 332 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 332 I C 2.117 178.282 176.117 0.080 0.000 1.088 332 I CA 1.331 62.677 61.300 0.077 0.000 1.357 332 I CB -0.330 37.696 38.000 0.044 0.000 1.051 332 I HN 0.157 nan 8.210 nan 0.000 0.409 333 L N -0.771 120.490 121.223 0.063 0.000 2.046 333 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 333 L C 2.616 179.485 176.870 -0.001 0.000 1.077 333 L CA 1.596 56.438 54.840 0.004 0.000 0.747 333 L CB -0.711 41.310 42.059 -0.064 0.000 0.896 333 L HN 0.211 nan 8.230 nan 0.000 0.432 334 Y N 0.756 121.107 120.300 0.084 0.000 2.263 334 Y HA -0.202 4.348 4.550 -0.000 0.000 0.292 334 Y C 2.284 178.241 175.900 0.095 0.000 1.130 334 Y CA 1.182 59.346 58.100 0.105 0.000 1.179 334 Y CB -0.197 38.333 38.460 0.117 0.000 0.998 334 Y HN 0.359 nan 8.280 nan 0.000 0.532 335 E N 0.378 120.714 120.200 0.227 0.000 2.321 335 E HA -0.003 4.347 4.350 -0.000 0.000 0.189 335 E C 1.427 178.091 176.600 0.108 0.000 1.125 335 E CA 0.079 56.569 56.400 0.150 0.000 1.005 335 E CB -0.088 29.680 29.700 0.115 0.000 1.140 335 E HN 0.379 nan 8.360 nan 0.000 0.457 336 R N -0.075 120.488 120.500 0.105 0.000 2.555 336 R HA 0.129 4.469 4.340 -0.000 0.000 0.312 336 R C 0.620 176.968 176.300 0.080 0.000 0.938 336 R CA 0.689 56.834 56.100 0.075 0.000 1.112 336 R CB 0.804 31.136 30.300 0.054 0.000 1.535 336 R HN 0.285 nan 8.270 nan 0.000 0.525 337 G N 1.356 110.217 108.800 0.102 0.000 2.140 337 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.211 337 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.211 337 G C -0.603 174.347 174.900 0.083 0.000 1.013 337 G CA 0.092 45.258 45.100 0.111 0.000 0.705 337 G HN 0.120 nan 8.290 nan 0.000 0.508 338 V N 1.442 121.361 119.914 0.007 0.000 2.350 338 V HA 0.594 4.714 4.120 -0.000 0.000 0.285 338 V C 0.731 176.649 176.094 -0.293 0.000 1.014 338 V CA -0.398 61.867 62.300 -0.059 0.000 0.831 338 V CB 1.698 33.499 31.823 -0.037 0.000 1.000 338 V HN 1.015 nan 8.190 nan 0.000 0.433 339 V N 4.874 124.677 119.914 -0.184 0.000 2.465 339 V HA 0.742 4.862 4.120 -0.000 0.000 0.279 339 V C -0.033 175.916 176.094 -0.241 0.000 1.045 339 V CA -0.605 61.519 62.300 -0.293 0.000 0.938 339 V CB 1.340 33.217 31.823 0.090 0.000 0.986 339 V HN 0.646 nan 8.190 nan 0.000 0.467 340 V N 3.056 122.783 119.914 -0.312 0.000 2.398 340 V HA 0.636 4.756 4.120 -0.000 0.000 0.286 340 V C 0.145 176.197 176.094 -0.070 0.000 1.026 340 V CA -0.720 61.505 62.300 -0.125 0.000 0.868 340 V CB 1.087 32.860 31.823 -0.085 0.000 0.982 340 V HN 0.710 nan 8.190 nan 0.000 0.443 341 V N 7.038 126.919 119.914 -0.054 0.000 2.439 341 V HA 0.248 4.368 4.120 -0.000 0.000 0.271 341 V C -1.920 174.158 176.094 -0.026 0.000 1.040 341 V CA -1.334 60.936 62.300 -0.049 0.000 1.002 341 V CB 0.697 32.501 31.823 -0.031 0.000 1.000 341 V HN 0.836 nan 8.190 nan 0.000 0.477 342 P HA -0.006 nan 4.420 nan 0.000 0.263 342 P C 0.284 177.593 177.300 0.014 0.000 1.175 342 P CA 0.057 63.160 63.100 0.005 0.000 0.761 342 P CB 0.461 32.166 31.700 0.009 0.000 0.794 343 D N 3.908 124.321 120.400 0.022 0.000 2.149 343 D HA -0.206 4.434 4.640 -0.000 0.000 0.198 343 D C 1.484 177.808 176.300 0.039 0.000 0.990 343 D CA 1.403 55.419 54.000 0.026 0.000 0.839 343 D CB -1.088 39.728 40.800 0.026 0.000 0.948 343 D HN 0.471 nan 8.370 nan 0.000 0.460 344 I N -1.377 119.224 120.570 0.051 0.000 2.423 344 I HA -0.150 4.020 4.170 -0.000 0.000 0.254 344 I C 2.200 178.347 176.117 0.049 0.000 1.151 344 I CA 0.854 62.191 61.300 0.061 0.000 1.421 344 I CB -0.400 37.650 38.000 0.082 0.000 1.079 344 I HN 0.027 nan 8.210 nan 0.000 0.431 345 L N 1.084 122.330 121.223 0.039 0.000 2.349 345 L HA 0.358 4.698 4.340 -0.000 0.000 0.200 345 L C 2.553 179.439 176.870 0.028 0.000 1.064 345 L CA 1.533 56.393 54.840 0.032 0.000 0.821 345 L CB -0.559 41.516 42.059 0.026 0.000 1.027 345 L HN 0.078 nan 8.230 nan 0.000 0.476 346 A N 1.086 123.919 122.820 0.021 0.000 1.858 346 A HA -0.233 4.087 4.320 -0.000 0.000 0.216 346 A C 1.676 179.277 177.584 0.030 0.000 1.190 346 A CA 1.852 53.899 52.037 0.017 0.000 0.617 346 A CB -1.303 17.702 19.000 0.008 0.000 0.827 346 A HN 0.746 nan 8.150 nan 0.000 0.443 347 N N 0.046 118.769 118.700 0.038 0.000 2.413 347 N HA 0.351 5.091 4.740 -0.000 0.000 0.207 347 N C 0.697 176.242 175.510 0.058 0.000 1.206 347 N CA 0.818 53.899 53.050 0.052 0.000 0.832 347 N CB -0.116 38.402 38.487 0.052 0.000 1.037 347 N HN 0.318 nan 8.380 nan 0.000 0.467 348 A N -0.414 122.438 122.820 0.054 0.000 2.235 348 A HA 0.267 4.587 4.320 -0.000 0.000 0.208 348 A C 2.075 179.704 177.584 0.075 0.000 1.172 348 A CA 0.468 52.542 52.037 0.061 0.000 0.786 348 A CB -0.871 18.161 19.000 0.053 0.000 0.804 348 A HN 0.447 nan 8.150 nan 0.000 0.479 349 G N -0.015 108.833 108.800 0.079 0.000 2.432 349 G HA2 0.010 3.970 3.960 -0.000 0.000 0.219 349 G HA3 0.010 3.970 3.960 -0.000 0.000 0.219 349 G C 1.413 176.372 174.900 0.097 0.000 1.135 349 G CA 1.057 46.217 45.100 0.100 0.000 0.767 349 G HN 0.593 nan 8.290 nan 0.000 0.550 350 G N 0.328 109.178 108.800 0.083 0.000 2.408 350 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 350 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 350 G C 1.718 176.662 174.900 0.074 0.000 1.150 350 G CA 1.121 46.260 45.100 0.065 0.000 0.776 350 G HN 0.315 nan 8.290 nan 0.000 0.542 351 V N 1.271 121.237 119.914 0.088 0.000 2.379 351 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 351 V C 2.763 178.967 176.094 0.184 0.000 1.044 351 V CA 1.312 63.680 62.300 0.113 0.000 1.036 351 V CB -0.389 31.494 31.823 0.100 0.000 0.664 351 V HN 0.381 nan 8.190 nan 0.000 0.453 352 I N -0.772 119.900 120.570 0.170 0.000 2.264 352 I HA -0.278 3.892 4.170 -0.000 0.000 0.248 352 I C 2.567 178.838 176.117 0.257 0.000 1.111 352 I CA 1.349 62.787 61.300 0.230 0.000 1.382 352 I CB -0.423 37.682 38.000 0.175 0.000 1.060 352 I HN 0.287 nan 8.210 nan 0.000 0.418 353 M N 0.943 120.637 119.600 0.157 0.000 2.117 353 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 353 M C 2.726 179.092 176.300 0.110 0.000 1.065 353 M CA 2.250 57.610 55.300 0.099 0.000 1.114 353 M CB -1.019 31.588 32.600 0.012 0.000 1.361 353 M HN 0.382 nan 8.290 nan 0.000 0.408 354 S N -0.755 115.028 115.700 0.137 0.000 2.419 354 S HA -0.193 4.277 4.470 -0.000 0.000 0.233 354 S C 1.961 176.719 174.600 0.263 0.000 1.016 354 S CA 1.021 59.303 58.200 0.136 0.000 0.974 354 S CB -0.984 62.268 63.200 0.088 0.000 0.786 354 S HN 0.581 nan 8.310 nan 0.000 0.492 355 Y N 2.195 122.647 120.300 0.253 0.000 2.243 355 Y HA 0.242 4.792 4.550 -0.000 0.000 0.293 355 Y C 1.823 177.886 175.900 0.271 0.000 1.124 355 Y CA 0.866 59.165 58.100 0.331 0.000 1.159 355 Y CB -0.484 38.073 38.460 0.162 0.000 1.008 355 Y HN 0.219 nan 8.280 nan 0.000 0.527 356 L N 0.504 121.688 121.223 -0.065 0.000 2.131 356 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 356 L C 2.549 179.272 176.870 -0.246 0.000 1.092 356 L CA 1.915 56.673 54.840 -0.136 0.000 0.759 356 L CB -0.610 41.538 42.059 0.148 0.000 0.903 356 L HN 0.326 nan 8.230 nan 0.000 0.435 357 E N -0.184 119.949 120.200 -0.111 0.000 2.047 357 E HA -0.282 4.068 4.350 -0.000 0.000 0.191 357 E C 2.114 178.647 176.600 -0.112 0.000 0.987 357 E CA 1.418 57.737 56.400 -0.135 0.000 0.799 357 E CB -0.250 29.429 29.700 -0.035 0.000 0.752 357 E HN 0.445 nan 8.360 nan 0.000 0.449 358 W N 0.939 122.118 121.300 -0.203 0.000 2.335 358 W HA -0.224 4.436 4.660 0.000 0.000 0.311 358 W C 2.030 178.388 176.519 -0.269 0.000 1.213 358 W CA 1.715 58.959 57.345 -0.168 0.000 1.274 358 W CB -0.650 28.826 29.460 0.027 0.000 1.148 358 W HN -0.051 nan 8.180 nan 0.000 0.498 359 V N 0.828 120.534 119.914 -0.346 0.000 2.332 359 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 359 V C 2.179 177.986 176.094 -0.478 0.000 1.055 359 V CA 2.476 64.486 62.300 -0.484 0.000 1.038 359 V CB -0.981 30.634 31.823 -0.347 0.000 0.651 359 V HN 0.211 nan 8.190 nan 0.000 0.450 360 E N 0.065 119.892 120.200 -0.622 0.000 2.051 360 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 360 E C 2.175 178.485 176.600 -0.484 0.000 0.991 360 E CA 1.341 57.332 56.400 -0.682 0.000 0.799 360 E CB -0.204 28.963 29.700 -0.889 0.000 0.748 360 E HN 0.571 nan 8.360 nan 0.000 0.449 361 N N 0.640 119.045 118.700 -0.491 0.000 2.149 361 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 361 N C 1.870 176.939 175.510 -0.735 0.000 1.019 361 N CA 0.887 53.571 53.050 -0.610 0.000 0.857 361 N CB -0.179 38.028 38.487 -0.467 0.000 0.997 361 N HN 0.180 nan 8.380 nan 0.000 0.426 362 L N 1.026 121.880 121.223 -0.615 0.000 2.201 362 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 362 L C 2.000 178.683 176.870 -0.311 0.000 1.105 362 L CA 0.924 55.450 54.840 -0.523 0.000 0.775 362 L CB -0.231 41.457 42.059 -0.617 0.000 0.913 362 L HN 0.323 nan 8.230 nan 0.000 0.440 363 Q N -2.249 117.408 119.800 -0.237 0.000 2.219 363 Q HA -0.058 4.281 4.340 -0.000 0.000 0.209 363 Q C -0.062 176.034 176.000 0.160 0.000 0.854 363 Q CA -0.421 55.371 55.803 -0.019 0.000 0.960 363 Q CB -0.060 28.681 28.738 0.004 0.000 1.116 363 Q HN 0.335 nan 8.270 nan 0.000 0.500 364 W N 0.124 121.359 121.300 -0.108 0.000 5.271 364 W HA -0.275 4.385 4.660 0.000 0.000 0.364 364 W C -0.703 175.830 176.519 0.023 0.000 1.342 364 W CA 0.574 57.867 57.345 -0.087 0.000 0.899 364 W CB -2.029 27.383 29.460 -0.081 0.000 2.450 364 W HN 0.468 nan 8.180 nan 0.000 1.508 365 Y N 0.807 121.109 120.300 0.002 0.000 2.327 365 Y HA 0.562 5.112 4.550 -0.000 0.000 0.325 365 Y C 0.091 175.864 175.900 -0.212 0.000 0.999 365 Y CA -1.836 56.254 58.100 -0.016 0.000 1.195 365 Y CB 0.390 38.881 38.460 0.051 0.000 1.132 365 Y HN -0.074 nan 8.280 nan 0.000 0.455 366 I N 6.570 126.846 120.570 -0.491 0.000 2.325 366 I HA 0.127 4.297 4.170 -0.000 0.000 0.291 366 I C -0.420 175.439 176.117 -0.430 0.000 1.019 366 I CA -0.509 60.497 61.300 -0.489 0.000 1.302 366 I CB 0.444 38.286 38.000 -0.264 0.000 1.401 366 I HN 0.494 nan 8.210 nan 0.000 0.485 367 W N 4.886 126.079 121.300 -0.180 0.000 2.086 367 W HA 0.175 4.835 4.660 -0.000 0.000 0.355 367 W C 0.464 176.922 176.519 -0.102 0.000 1.313 367 W CA -0.690 56.585 57.345 -0.117 0.000 1.358 367 W CB -0.029 29.417 29.460 -0.023 0.000 1.166 367 W HN 0.478 nan 8.180 nan 0.000 0.630 368 D N -0.351 120.164 120.400 0.192 0.000 2.423 368 D HA 0.040 4.679 4.640 -0.000 0.000 0.255 368 D C 0.594 176.948 176.300 0.091 0.000 1.174 368 D CA -0.354 53.702 54.000 0.092 0.000 1.008 368 D CB 1.079 41.920 40.800 0.069 0.000 1.101 368 D HN 0.409 nan 8.370 nan 0.000 0.516 369 E N -0.277 119.956 120.200 0.055 0.000 2.118 369 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 369 E C 1.681 178.298 176.600 0.027 0.000 0.992 369 E CA 1.124 57.550 56.400 0.043 0.000 0.804 369 E CB 0.073 29.819 29.700 0.076 0.000 0.741 369 E HN 0.609 nan 8.360 nan 0.000 0.458 370 E N 0.622 120.843 120.200 0.036 0.000 2.047 370 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 370 E C 2.124 178.718 176.600 -0.011 0.000 0.987 370 E CA 0.752 57.161 56.400 0.015 0.000 0.799 370 E CB 0.166 29.885 29.700 0.032 0.000 0.752 370 E HN 0.064 nan 8.360 nan 0.000 0.449 371 E N 0.043 120.243 120.200 -0.001 0.000 2.051 371 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 371 E C 2.113 178.669 176.600 -0.072 0.000 0.991 371 E CA 1.603 57.962 56.400 -0.069 0.000 0.799 371 E CB -0.305 29.354 29.700 -0.068 0.000 0.748 371 E HN 0.266 nan 8.360 nan 0.000 0.449 372 T N 0.610 115.208 114.554 0.074 0.000 2.708 372 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 372 T C 1.992 176.692 174.700 -0.001 0.000 1.037 372 T CA 1.362 63.553 62.100 0.152 0.000 1.146 372 T CB -0.180 68.791 68.868 0.172 0.000 0.865 372 T HN 0.156 nan 8.240 nan 0.000 0.435 373 R N 0.971 121.410 120.500 -0.100 0.000 2.127 373 R HA -0.070 4.270 4.340 -0.000 0.000 0.238 373 R C 2.289 178.515 176.300 -0.123 0.000 1.134 373 R CA 1.325 57.259 56.100 -0.276 0.000 0.975 373 R CB -0.006 30.048 30.300 -0.409 0.000 0.865 373 R HN 0.345 nan 8.270 nan 0.000 0.447 374 K N -0.366 120.001 120.400 -0.054 0.000 2.031 374 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 374 K C 2.190 178.797 176.600 0.011 0.000 1.049 374 K CA 1.048 57.335 56.287 0.001 0.000 0.939 374 K CB -0.044 32.440 32.500 -0.027 0.000 0.717 374 K HN 0.147 nan 8.250 nan 0.000 0.438 375 R N 0.777 121.256 120.500 -0.036 0.000 2.105 375 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 375 R C 2.371 178.715 176.300 0.074 0.000 1.135 375 R CA 1.078 57.165 56.100 -0.021 0.000 0.967 375 R CB -0.461 29.782 30.300 -0.095 0.000 0.861 375 R HN 0.139 nan 8.270 nan 0.000 0.442 376 L N 1.328 122.614 121.223 0.105 0.000 2.056 376 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 376 L C 2.223 179.204 176.870 0.185 0.000 1.078 376 L CA 1.821 56.758 54.840 0.162 0.000 0.749 376 L CB -0.476 41.682 42.059 0.165 0.000 0.901 376 L HN 0.125 nan 8.230 nan 0.000 0.433 377 E N -0.152 120.185 120.200 0.229 0.000 2.031 377 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 377 E C 1.930 178.574 176.600 0.073 0.000 0.994 377 E CA 1.722 58.224 56.400 0.169 0.000 0.800 377 E CB -0.228 29.597 29.700 0.209 0.000 0.752 377 E HN 0.723 nan 8.360 nan 0.000 0.447 378 N N 0.382 119.120 118.700 0.062 0.000 2.094 378 N HA -0.203 4.537 4.740 -0.000 0.000 0.191 378 N C 2.123 177.654 175.510 0.036 0.000 1.023 378 N CA 1.424 54.495 53.050 0.035 0.000 0.857 378 N CB -0.190 38.310 38.487 0.021 0.000 1.013 378 N HN 0.211 nan 8.380 nan 0.000 0.426 379 I N 0.373 120.975 120.570 0.054 0.000 2.142 379 I HA -0.262 3.907 4.170 -0.000 0.000 0.240 379 I C 2.487 178.627 176.117 0.038 0.000 1.078 379 I CA 0.966 62.296 61.300 0.051 0.000 1.343 379 I CB -0.208 37.840 38.000 0.080 0.000 1.046 379 I HN 0.202 nan 8.210 nan 0.000 0.405 380 M N 0.919 120.544 119.600 0.041 0.000 2.108 380 M HA -0.153 4.327 4.480 -0.000 0.000 0.261 380 M C 2.141 178.444 176.300 0.005 0.000 1.066 380 M CA 1.873 57.184 55.300 0.020 0.000 1.107 380 M CB -0.577 32.022 32.600 -0.000 0.000 1.356 380 M HN 0.008 nan 8.290 nan 0.000 0.406 381 V N 0.798 120.712 119.914 -0.000 0.000 2.332 381 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 381 V C 2.464 178.561 176.094 0.004 0.000 1.055 381 V CA 2.143 64.438 62.300 -0.008 0.000 1.038 381 V CB -1.104 30.714 31.823 -0.007 0.000 0.651 381 V HN 0.607 nan 8.190 nan 0.000 0.450 382 N N 0.067 118.775 118.700 0.013 0.000 2.331 382 N HA -0.128 4.612 4.740 -0.000 0.000 0.180 382 N C 1.582 177.109 175.510 0.027 0.000 1.019 382 N CA 0.896 53.957 53.050 0.018 0.000 0.881 382 N CB -0.067 38.429 38.487 0.017 0.000 0.972 382 N HN 0.502 nan 8.380 nan 0.000 0.435 383 N N 0.614 119.330 118.700 0.027 0.000 2.109 383 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 383 N C 1.961 177.502 175.510 0.051 0.000 1.034 383 N CA 0.710 53.781 53.050 0.035 0.000 0.846 383 N CB -0.625 37.879 38.487 0.030 0.000 1.010 383 N HN 0.001 nan 8.380 nan 0.000 0.425 384 V N 2.445 122.386 119.914 0.044 0.000 2.252 384 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 384 V C 2.275 178.434 176.094 0.109 0.000 1.056 384 V CA 1.637 63.976 62.300 0.065 0.000 1.022 384 V CB -0.475 31.365 31.823 0.028 0.000 0.641 384 V HN 0.243 nan 8.190 nan 0.000 0.445 385 E N -0.208 120.036 120.200 0.073 0.000 2.118 385 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 385 E C 2.315 179.000 176.600 0.142 0.000 0.992 385 E CA 1.190 57.648 56.400 0.096 0.000 0.804 385 E CB -0.375 29.351 29.700 0.043 0.000 0.741 385 E HN 0.508 nan 8.360 nan 0.000 0.458 386 R N 0.347 120.911 120.500 0.108 0.000 2.090 386 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 386 R C 2.232 178.614 176.300 0.137 0.000 1.110 386 R CA 0.860 57.023 56.100 0.104 0.000 0.973 386 R CB 0.137 30.481 30.300 0.074 0.000 0.869 386 R HN 0.022 nan 8.270 nan 0.000 0.440 387 V N -0.180 119.824 119.914 0.152 0.000 2.407 387 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 387 V C 1.810 178.055 176.094 0.251 0.000 1.041 387 V CA 1.377 63.778 62.300 0.167 0.000 1.040 387 V CB -0.672 31.221 31.823 0.117 0.000 0.671 387 V HN 0.316 nan 8.190 nan 0.000 0.455 388 Y N 1.467 121.867 120.300 0.168 0.000 2.070 388 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 388 Y C 2.597 178.627 175.900 0.216 0.000 1.148 388 Y CA 2.071 60.323 58.100 0.253 0.000 1.125 388 Y CB -0.226 38.335 38.460 0.167 0.000 0.975 388 Y HN 0.114 nan 8.280 nan 0.000 0.492 389 K N -0.498 120.083 120.400 0.302 0.000 2.020 389 K HA -0.303 4.017 4.320 -0.000 0.000 0.212 389 K C 2.222 178.847 176.600 0.043 0.000 1.050 389 K CA 1.880 58.256 56.287 0.148 0.000 0.929 389 K CB -0.351 32.230 32.500 0.135 0.000 0.714 389 K HN 0.099 nan 8.250 nan 0.000 0.443 390 R N 0.752 121.305 120.500 0.089 0.000 2.096 390 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 390 R C 1.794 178.129 176.300 0.058 0.000 1.127 390 R CA 1.518 57.653 56.100 0.059 0.000 0.968 390 R CB -0.896 29.483 30.300 0.131 0.000 0.861 390 R HN 0.427 nan 8.270 nan 0.000 0.440 391 W N 1.223 122.470 121.300 -0.088 0.000 2.374 391 W HA -0.085 4.575 4.660 -0.000 0.000 0.288 391 W C 1.808 178.188 176.519 -0.232 0.000 1.218 391 W CA 1.656 58.935 57.345 -0.110 0.000 1.245 391 W CB -0.416 28.985 29.460 -0.098 0.000 1.126 391 W HN 0.322 nan 8.180 nan 0.000 0.545 392 Q N -0.210 119.377 119.800 -0.356 0.000 2.331 392 Q HA -0.094 4.246 4.340 -0.000 0.000 0.203 392 Q C 2.170 177.952 176.000 -0.363 0.000 0.944 392 Q CA 0.468 55.959 55.803 -0.520 0.000 0.892 392 Q CB -0.162 28.297 28.738 -0.465 0.000 0.983 392 Q HN -0.063 nan 8.270 nan 0.000 0.482 393 R N 0.792 121.121 120.500 -0.285 0.000 2.235 393 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 393 R C -0.352 175.718 176.300 -0.383 0.000 1.059 393 R CA 0.638 56.576 56.100 -0.271 0.000 0.997 393 R CB 0.178 30.351 30.300 -0.212 0.000 0.884 393 R HN 0.170 nan 8.270 nan 0.000 0.462 394 E N 0.005 119.894 120.200 -0.519 0.000 2.212 394 E HA 0.261 4.611 4.350 -0.000 0.000 0.268 394 E C -1.020 175.276 176.600 -0.508 0.000 0.902 394 E CA -0.516 55.453 56.400 -0.718 0.000 0.779 394 E CB 1.993 30.718 29.700 -1.626 0.000 1.172 394 E HN -0.242 nan 8.360 nan 0.000 0.409 395 K N 1.340 121.523 120.400 -0.361 0.000 2.206 395 K HA 0.491 4.811 4.320 -0.000 0.000 0.264 395 K C 0.258 176.830 176.600 -0.047 0.000 0.967 395 K CA 0.183 56.351 56.287 -0.199 0.000 0.844 395 K CB 1.228 33.636 32.500 -0.153 0.000 1.099 395 K HN 0.698 nan 8.250 nan 0.000 0.441 396 G N 3.135 111.964 108.800 0.048 0.000 2.195 396 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.224 396 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.224 396 G C -0.550 174.543 174.900 0.321 0.000 0.990 396 G CA -0.260 44.935 45.100 0.158 0.000 0.639 396 G HN 0.504 nan 8.290 nan 0.000 0.514 397 W N 1.497 122.820 121.300 0.039 0.000 2.298 397 W HA 0.724 5.384 4.660 -0.000 0.000 0.358 397 W C 1.028 177.644 176.519 0.161 0.000 1.241 397 W CA 0.301 57.700 57.345 0.089 0.000 1.385 397 W CB 0.635 30.197 29.460 0.170 0.000 1.225 397 W HN 0.453 nan 8.180 nan 0.000 0.654 398 T N -1.798 112.850 114.554 0.158 0.000 2.926 398 T HA 0.310 4.660 4.350 -0.000 0.000 0.289 398 T C 0.988 175.352 174.700 -0.560 0.000 1.054 398 T CA -0.776 61.152 62.100 -0.287 0.000 1.015 398 T CB 1.234 69.796 68.868 -0.510 0.000 1.167 398 T HN 0.262 nan 8.240 nan 0.000 0.526 399 M N 0.089 119.171 119.600 -0.863 0.000 2.082 399 M HA -0.120 4.360 4.480 -0.000 0.000 0.258 399 M C 2.419 178.540 176.300 -0.299 0.000 1.069 399 M CA 1.875 56.693 55.300 -0.803 0.000 1.102 399 M CB -1.195 31.077 32.600 -0.548 0.000 1.336 399 M HN 0.827 nan 8.290 nan 0.000 0.404 400 R N 0.906 121.319 120.500 -0.144 0.000 2.122 400 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 400 R C 1.677 177.948 176.300 -0.048 0.000 1.129 400 R CA 2.419 58.498 56.100 -0.034 0.000 0.925 400 R CB -0.656 29.661 30.300 0.029 0.000 0.850 400 R HN 0.310 nan 8.270 nan 0.000 0.431 401 D N -0.237 120.100 120.400 -0.104 0.000 2.149 401 D HA -0.218 4.422 4.640 -0.000 0.000 0.194 401 D C 1.700 177.947 176.300 -0.088 0.000 1.001 401 D CA 1.898 55.776 54.000 -0.203 0.000 0.849 401 D CB -0.460 40.138 40.800 -0.337 0.000 0.939 401 D HN 0.482 nan 8.370 nan 0.000 0.449 402 A N 0.773 123.666 122.820 0.120 0.000 1.898 402 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 402 A C 2.321 179.998 177.584 0.156 0.000 1.181 402 A CA 2.189 54.406 52.037 0.299 0.000 0.620 402 A CB -0.652 18.517 19.000 0.281 0.000 0.819 402 A HN 0.247 nan 8.150 nan 0.000 0.442 403 A N 0.192 123.047 122.820 0.058 0.000 1.877 403 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 403 A C 2.092 179.698 177.584 0.037 0.000 1.186 403 A CA 1.540 53.606 52.037 0.049 0.000 0.620 403 A CB -0.666 18.350 19.000 0.028 0.000 0.822 403 A HN 0.511 nan 8.150 nan 0.000 0.443 404 I N -0.524 120.042 120.570 -0.007 0.000 2.226 404 I HA -0.192 3.978 4.170 -0.000 0.000 0.245 404 I C 2.241 178.340 176.117 -0.030 0.000 1.100 404 I CA 1.061 62.316 61.300 -0.074 0.000 1.374 404 I CB -0.477 37.391 38.000 -0.220 0.000 1.057 404 I HN 0.120 nan 8.210 nan 0.000 0.413 405 V N 0.566 120.493 119.914 0.022 0.000 2.515 405 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 405 V C 2.525 178.734 176.094 0.191 0.000 1.058 405 V CA 2.314 64.706 62.300 0.153 0.000 1.064 405 V CB -0.842 31.129 31.823 0.247 0.000 0.675 405 V HN 0.477 nan 8.190 nan 0.000 0.461 406 T N 0.404 115.050 114.554 0.153 0.000 2.708 406 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 406 T C 2.085 176.840 174.700 0.092 0.000 1.037 406 T CA 1.650 63.831 62.100 0.135 0.000 1.146 406 T CB -0.399 68.538 68.868 0.115 0.000 0.865 406 T HN 0.572 nan 8.240 nan 0.000 0.435 407 A N 1.940 124.795 122.820 0.058 0.000 1.851 407 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 407 A C 2.202 179.802 177.584 0.026 0.000 1.195 407 A CA 1.216 53.273 52.037 0.034 0.000 0.622 407 A CB -0.946 18.064 19.000 0.017 0.000 0.831 407 A HN 0.332 nan 8.150 nan 0.000 0.444 408 L N 0.094 121.317 121.223 0.001 0.000 2.081 408 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 408 L C 2.398 179.154 176.870 -0.191 0.000 1.080 408 L CA 2.318 57.128 54.840 -0.050 0.000 0.754 408 L CB -1.549 40.411 42.059 -0.165 0.000 0.893 408 L HN 0.681 nan 8.230 nan 0.000 0.433 409 E N -0.236 119.942 120.200 -0.037 0.000 2.058 409 E HA -0.262 4.088 4.350 -0.000 0.000 0.194 409 E C 2.418 179.065 176.600 0.078 0.000 0.997 409 E CA 1.194 57.676 56.400 0.137 0.000 0.801 409 E CB 0.004 29.869 29.700 0.276 0.000 0.746 409 E HN 0.311 nan 8.360 nan 0.000 0.450 410 R N 0.234 120.760 120.500 0.043 0.000 2.096 410 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 410 R C 2.335 178.621 176.300 -0.025 0.000 1.127 410 R CA 1.364 57.470 56.100 0.010 0.000 0.968 410 R CB -0.143 30.159 30.300 0.004 0.000 0.861 410 R HN 0.271 nan 8.270 nan 0.000 0.440 411 I N -0.586 119.984 120.570 -0.001 0.000 2.233 411 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 411 I C 2.130 178.231 176.117 -0.026 0.000 1.093 411 I CA 0.941 62.251 61.300 0.017 0.000 1.380 411 I CB -0.503 37.587 38.000 0.150 0.000 1.067 411 I HN 0.178 nan 8.210 nan 0.000 0.413 412 Y N 2.259 122.363 120.300 -0.327 0.000 2.151 412 Y HA -0.303 4.247 4.550 0.000 0.000 0.284 412 Y C 2.252 177.990 175.900 -0.269 0.000 1.166 412 Y CA 1.805 59.535 58.100 -0.615 0.000 1.163 412 Y CB -0.677 37.200 38.460 -0.973 0.000 0.974 412 Y HN 0.199 nan 8.280 nan 0.000 0.511 413 N N -0.329 118.255 118.700 -0.194 0.000 2.084 413 N HA -0.221 4.519 4.740 -0.000 0.000 0.190 413 N C 2.024 177.375 175.510 -0.265 0.000 1.030 413 N CA 0.919 53.839 53.050 -0.217 0.000 0.849 413 N CB -0.354 38.085 38.487 -0.080 0.000 1.012 413 N HN 0.454 nan 8.380 nan 0.000 0.423 414 A N 1.633 124.307 122.820 -0.242 0.000 1.873 414 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 414 A C 2.209 179.530 177.584 -0.439 0.000 1.193 414 A CA 1.478 53.331 52.037 -0.306 0.000 0.629 414 A CB -0.616 18.198 19.000 -0.309 0.000 0.826 414 A HN 0.217 nan 8.150 nan 0.000 0.447 415 M N -1.102 118.228 119.600 -0.450 0.000 2.117 415 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 415 M C 2.178 178.312 176.300 -0.277 0.000 1.065 415 M CA 1.436 56.467 55.300 -0.447 0.000 1.114 415 M CB -0.263 32.249 32.600 -0.147 0.000 1.361 415 M HN 0.226 nan 8.290 nan 0.000 0.408 416 K N 0.657 120.844 120.400 -0.355 0.000 2.002 416 K HA -0.046 4.274 4.320 -0.000 0.000 0.209 416 K C 1.757 178.257 176.600 -0.168 0.000 1.048 416 K CA 1.471 57.584 56.287 -0.290 0.000 0.930 416 K CB -0.678 31.549 32.500 -0.455 0.000 0.714 416 K HN 0.405 nan 8.250 nan 0.000 0.438 417 I N 0.678 121.136 120.570 -0.186 0.000 2.226 417 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 417 I C 2.413 178.479 176.117 -0.085 0.000 1.100 417 I CA 1.144 62.371 61.300 -0.121 0.000 1.374 417 I CB -0.256 37.668 38.000 -0.126 0.000 1.057 417 I HN 0.125 nan 8.210 nan 0.000 0.413 418 R N 0.757 121.174 120.500 -0.138 0.000 2.235 418 R HA -0.012 4.328 4.340 -0.000 0.000 0.213 418 R C 1.286 177.682 176.300 0.161 0.000 1.059 418 R CA 0.888 56.959 56.100 -0.048 0.000 0.997 418 R CB -0.053 30.056 30.300 -0.317 0.000 0.884 418 R HN 0.574 nan 8.270 nan 0.000 0.462 419 G N -0.586 108.289 108.800 0.126 0.000 2.140 419 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.211 419 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.211 419 G C 0.060 175.146 174.900 0.311 0.000 1.013 419 G CA -0.013 45.191 45.100 0.174 0.000 0.705 419 G HN 0.304 nan 8.290 nan 0.000 0.508 420 W N -0.333 120.947 121.300 -0.035 0.000 2.737 420 W HA 0.621 5.281 4.660 -0.000 0.000 0.262 420 W C 1.484 178.006 176.519 0.004 0.000 1.282 420 W CA 0.295 57.631 57.345 -0.015 0.000 1.386 420 W CB 0.070 29.521 29.460 -0.015 0.000 1.099 420 W HN 0.326 nan 8.180 nan 0.000 0.621 421 I N 0.000 120.695 120.570 0.208 0.000 2.984 421 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 421 I CA 0.000 61.392 61.300 0.153 0.000 1.566 421 I CB 0.000 38.126 38.000 0.210 0.000 1.214 421 I HN 0.000 nan 8.210 nan 0.000 0.494