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 1gl7_1_D DATA FIRST_RESID 75 DATA SEQUENCE GQGEFGGAPF KRFLRGTRIV SGGKLKRMTR EKAKQVTVAG VPMPRDAEPR DATA SEQUENCE HLLVNGATGT GKSVLLRELA YTGLLRGDRM VIVDPNGDML SKFGRDKDII DATA SEQUENCE LNPYDQRTKG WSFFNEIRND YDWQRYALSV VPRGKTDEAE EWASYGRLLL DATA SEQUENCE RETAKKLALI GTPSMRELFH WTTIATFDDL RGFLEGTLAE SLFAGSNEAS DATA SEQUENCE KALTSARFVL SDKLPEHVTM PDGDFSIRSW LEDPNGGNLF ITWREDMGPA DATA SEQUENCE LRPLISAWVD VVCTSILSLP EEPKRRLWLF IDELASLEKL ASLADALTKG DATA SEQUENCE RKAGLRVVAG LQSTSQLDDV YGVKEAQTLR ASFRSLVVLG GSRTDPKTNE DATA SEQUENCE DMSLSLGEHE VERDRXXXXX XXXXXXXXXL ERVRERVVMP AEIANLPDLT DATA SEQUENCE AYVGFAGNRP IAKVPLEIKQ FANRQPAFVE G 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 75 G HA2 0.000 nan 3.960 nan 0.000 0.244 75 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 75 G C 0.000 174.836 174.900 -0.107 0.000 0.946 75 G CA 0.000 44.860 45.100 -0.401 0.000 0.502 76 Q N -0.117 119.679 119.800 -0.006 0.000 2.665 76 Q HA 0.749 5.089 4.340 0.000 0.000 0.176 76 Q C 1.371 177.421 176.000 0.084 0.000 1.025 76 Q CA -0.278 55.579 55.803 0.089 0.000 0.953 76 Q CB 0.737 29.510 28.738 0.058 0.000 2.143 76 Q HN 1.440 nan 8.270 nan 0.000 0.464 77 G N -0.129 108.715 108.800 0.072 0.000 2.216 77 G HA2 -0.376 3.584 3.960 0.000 0.000 0.269 77 G HA3 -0.376 3.584 3.960 0.000 0.000 0.269 77 G C 0.562 175.507 174.900 0.075 0.000 0.981 77 G CA 1.316 46.449 45.100 0.056 0.000 0.658 77 G HN 0.832 nan 8.290 nan 0.000 0.539 78 E N -2.331 117.946 120.200 0.129 0.000 2.661 78 E HA 0.278 4.628 4.350 0.000 0.000 0.202 78 E C 0.500 177.257 176.600 0.261 0.000 0.911 78 E CA -0.558 55.937 56.400 0.158 0.000 1.581 78 E CB 0.342 30.130 29.700 0.147 0.000 1.667 78 E HN 0.525 nan 8.360 nan 0.000 0.911 79 F N 2.486 122.525 119.950 0.147 0.000 2.420 79 F HA 0.617 5.144 4.527 0.000 0.000 0.342 79 F C 1.212 177.105 175.800 0.156 0.000 1.113 79 F CA -0.391 57.724 58.000 0.193 0.000 1.059 79 F CB 1.883 41.074 39.000 0.318 0.000 1.128 79 F HN 0.003 nan 8.300 nan 0.000 0.475 80 G N 4.041 112.518 108.800 -0.538 0.000 2.422 80 G HA2 0.062 4.022 3.960 0.000 0.000 0.218 80 G HA3 0.062 4.022 3.960 0.000 0.000 0.218 80 G C 0.908 175.378 174.900 -0.717 0.000 1.140 80 G CA 0.489 45.285 45.100 -0.506 0.000 0.775 80 G HN 0.981 nan 8.290 nan 0.000 0.545 81 G N 0.147 107.982 108.800 -1.608 0.000 2.468 81 G HA2 0.457 4.417 3.960 0.000 0.000 0.264 81 G HA3 0.457 4.417 3.960 0.000 0.000 0.264 81 G C 0.317 175.182 174.900 -0.058 0.000 1.460 81 G CA 0.178 44.861 45.100 -0.694 0.000 1.060 81 G HN 0.624 nan 8.290 nan 0.000 0.543 82 A N 0.252 123.251 122.820 0.297 0.000 2.409 82 A HA 0.594 4.914 4.320 0.000 0.000 0.262 82 A C -1.997 175.896 177.584 0.515 0.000 1.113 82 A CA -0.873 51.352 52.037 0.314 0.000 0.790 82 A CB 0.072 19.212 19.000 0.233 0.000 1.046 82 A HN 0.407 nan 8.150 nan 0.000 0.496 83 P HA 0.361 nan 4.420 nan 0.000 0.269 83 P C -0.653 176.830 177.300 0.304 0.000 1.217 83 P CA 0.288 63.560 63.100 0.286 0.000 0.783 83 P CB 0.250 32.008 31.700 0.097 0.000 0.898 84 F N -1.305 118.697 119.950 0.087 0.000 2.650 84 F HA 0.688 5.215 4.527 0.000 0.000 0.320 84 F C 1.079 176.890 175.800 0.020 0.000 1.091 84 F CA -1.311 56.708 58.000 0.032 0.000 0.962 84 F CB 0.813 39.794 39.000 -0.032 0.000 1.363 84 F HN 0.004 nan 8.300 nan 0.000 0.482 85 K N 0.358 120.870 120.400 0.186 0.000 2.137 85 K HA 0.264 4.584 4.320 0.000 0.000 0.202 85 K C -0.023 176.657 176.600 0.134 0.000 1.052 85 K CA 1.013 57.353 56.287 0.087 0.000 0.961 85 K CB 0.246 32.794 32.500 0.080 0.000 0.741 85 K HN 0.673 nan 8.250 nan 0.000 0.452 86 R N -0.499 120.194 120.500 0.321 0.000 2.561 86 R HA 0.156 4.496 4.340 0.000 0.000 0.266 86 R C -1.795 174.709 176.300 0.339 0.000 1.091 86 R CA -0.678 55.599 56.100 0.294 0.000 0.927 86 R CB 0.577 30.955 30.300 0.130 0.000 1.240 86 R HN 0.071 nan 8.270 nan 0.000 0.449 87 F N 5.516 125.597 119.950 0.219 0.000 2.420 87 F HA 0.300 4.827 4.527 0.000 0.000 0.352 87 F C 0.169 175.938 175.800 -0.051 0.000 1.108 87 F CA -0.291 57.716 58.000 0.012 0.000 1.162 87 F CB 0.785 39.854 39.000 0.115 0.000 1.118 87 F HN 0.511 nan 8.300 nan 0.000 0.510 88 L N 4.374 125.167 121.223 -0.716 0.000 2.194 88 L HA 0.316 4.656 4.340 0.000 0.000 0.197 88 L C 0.108 176.640 176.870 -0.562 0.000 1.106 88 L CA 0.095 54.654 54.840 -0.468 0.000 0.785 88 L CB -0.223 41.607 42.059 -0.381 0.000 0.960 88 L HN 0.589 nan 8.230 nan 0.000 0.465 89 R N -1.420 118.517 120.500 -0.939 0.000 2.747 89 R HA 0.718 5.058 4.340 0.000 0.000 0.272 89 R C -0.495 175.563 176.300 -0.403 0.000 1.032 89 R CA -0.295 55.534 56.100 -0.453 0.000 0.896 89 R CB 0.786 30.980 30.300 -0.177 0.000 1.253 89 R HN 0.199 nan 8.270 nan 0.000 0.461 90 G N -0.098 108.737 108.800 0.059 0.000 2.472 90 G HA2 -0.100 3.860 3.960 0.000 0.000 0.205 90 G HA3 -0.100 3.860 3.960 0.000 0.000 0.205 90 G C -0.956 174.146 174.900 0.338 0.000 1.270 90 G CA -0.448 44.741 45.100 0.147 0.000 0.974 90 G HN 0.701 nan 8.290 nan 0.000 0.542 91 T N 2.072 116.777 114.554 0.253 0.000 2.884 91 T HA 0.543 4.893 4.350 0.000 0.000 0.298 91 T C 0.648 175.526 174.700 0.297 0.000 0.998 91 T CA 0.391 62.619 62.100 0.213 0.000 1.124 91 T CB 0.309 69.246 68.868 0.115 0.000 0.931 91 T HN 0.708 nan 8.240 nan 0.000 0.531 92 R N 2.675 123.261 120.500 0.142 0.000 2.562 92 R HA 0.734 5.074 4.340 0.000 0.000 0.298 92 R C -0.906 175.440 176.300 0.077 0.000 0.961 92 R CA -0.892 55.225 56.100 0.028 0.000 0.881 92 R CB 1.622 31.751 30.300 -0.286 0.000 1.159 92 R HN 0.554 nan 8.270 nan 0.000 0.450 93 I N 2.386 123.035 120.570 0.132 0.000 2.562 93 I HA 0.535 4.705 4.170 0.000 0.000 0.301 93 I C -1.052 175.143 176.117 0.130 0.000 1.003 93 I CA -1.152 60.246 61.300 0.163 0.000 1.127 93 I CB 1.996 40.151 38.000 0.258 0.000 1.304 93 I HN 0.483 nan 8.210 nan 0.000 0.446 94 V N 5.191 125.170 119.914 0.109 0.000 3.160 94 V HA 0.499 4.619 4.120 0.000 0.000 0.310 94 V C -0.178 175.961 176.094 0.074 0.000 1.181 94 V CA -0.314 62.034 62.300 0.079 0.000 1.047 94 V CB 2.737 34.589 31.823 0.047 0.000 1.068 94 V HN 0.917 nan 8.190 nan 0.000 0.441 95 S N 1.616 117.349 115.700 0.055 0.000 2.589 95 S HA 0.288 4.758 4.470 0.000 0.000 0.265 95 S C 1.315 175.936 174.600 0.035 0.000 1.342 95 S CA 0.340 58.564 58.200 0.041 0.000 1.005 95 S CB 1.063 64.281 63.200 0.031 0.000 0.909 95 S HN 1.421 nan 8.310 nan 0.000 0.555 96 G N 1.202 110.014 108.800 0.020 0.000 2.480 96 G HA2 -0.022 3.938 3.960 0.000 0.000 0.216 96 G HA3 -0.022 3.938 3.960 0.000 0.000 0.216 96 G C 1.412 176.333 174.900 0.036 0.000 1.200 96 G CA 0.669 45.782 45.100 0.022 0.000 0.782 96 G HN 1.044 nan 8.290 nan 0.000 0.554 97 G N 0.975 109.791 108.800 0.028 0.000 2.514 97 G HA2 -0.293 3.667 3.960 0.000 0.000 0.217 97 G HA3 -0.293 3.667 3.960 0.000 0.000 0.217 97 G C 1.771 176.690 174.900 0.032 0.000 1.198 97 G CA 1.701 46.818 45.100 0.028 0.000 0.780 97 G HN 0.539 nan 8.290 nan 0.000 0.565 98 K N 0.176 120.593 120.400 0.029 0.000 2.032 98 K HA -0.176 4.144 4.320 0.000 0.000 0.218 98 K C 2.351 178.974 176.600 0.038 0.000 1.054 98 K CA 1.742 58.045 56.287 0.028 0.000 0.941 98 K CB -0.880 31.636 32.500 0.026 0.000 0.720 98 K HN 0.267 nan 8.250 nan 0.000 0.449 99 L N 1.235 122.490 121.223 0.054 0.000 2.017 99 L HA -0.144 4.196 4.340 0.000 0.000 0.208 99 L C 1.791 178.711 176.870 0.083 0.000 1.073 99 L CA 1.958 56.846 54.840 0.080 0.000 0.745 99 L CB -0.629 41.495 42.059 0.108 0.000 0.894 99 L HN 0.215 nan 8.230 nan 0.000 0.432 100 K N -0.810 119.636 120.400 0.076 0.000 2.160 100 K HA -0.210 4.110 4.320 0.000 0.000 0.206 100 K C 2.183 178.807 176.600 0.040 0.000 1.047 100 K CA 1.738 58.066 56.287 0.068 0.000 0.930 100 K CB -0.201 32.334 32.500 0.057 0.000 0.720 100 K HN 0.408 nan 8.250 nan 0.000 0.450 101 R N 0.287 120.807 120.500 0.032 0.000 2.055 101 R HA 0.049 4.389 4.340 0.000 0.000 0.226 101 R C 2.462 178.770 176.300 0.013 0.000 1.135 101 R CA 1.221 57.332 56.100 0.018 0.000 0.959 101 R CB -0.223 30.086 30.300 0.015 0.000 0.854 101 R HN 0.159 nan 8.270 nan 0.000 0.431 102 M N 0.447 120.058 119.600 0.019 0.000 2.088 102 M HA -0.202 4.278 4.480 0.000 0.000 0.256 102 M C 2.505 178.804 176.300 -0.002 0.000 1.071 102 M CA 2.498 57.806 55.300 0.013 0.000 1.097 102 M CB -0.870 31.746 32.600 0.026 0.000 1.315 102 M HN 0.306 nan 8.290 nan 0.000 0.406 103 T N -1.585 112.968 114.554 -0.002 0.000 2.951 103 T HA -0.096 4.254 4.350 0.000 0.000 0.268 103 T C 1.022 175.683 174.700 -0.066 0.000 1.073 103 T CA 0.151 62.216 62.100 -0.058 0.000 1.134 103 T CB -0.436 68.372 68.868 -0.100 0.000 0.884 103 T HN 0.375 nan 8.240 nan 0.000 0.479 104 R N 1.840 122.321 120.500 -0.031 0.000 2.504 104 R HA 0.072 4.412 4.340 0.000 0.000 0.291 104 R C -0.399 175.882 176.300 -0.032 0.000 0.974 104 R CA 0.485 56.569 56.100 -0.027 0.000 1.077 104 R CB 0.185 30.480 30.300 -0.008 0.000 0.926 104 R HN 0.525 nan 8.270 nan 0.000 0.407 105 E N 2.755 122.934 120.200 -0.035 0.000 2.316 105 E HA 0.176 4.526 4.350 0.000 0.000 0.258 105 E C 0.274 176.862 176.600 -0.022 0.000 0.952 105 E CA -1.017 55.364 56.400 -0.032 0.000 0.818 105 E CB 1.505 31.180 29.700 -0.042 0.000 1.260 105 E HN 0.550 nan 8.360 nan 0.000 0.416 106 K N 0.108 120.497 120.400 -0.019 0.000 1.985 106 K HA -0.021 4.299 4.320 0.000 0.000 0.210 106 K C 1.104 177.697 176.600 -0.013 0.000 1.047 106 K CA 0.867 57.146 56.287 -0.014 0.000 0.932 106 K CB -0.473 32.019 32.500 -0.013 0.000 0.716 106 K HN 0.421 nan 8.250 nan 0.000 0.439 107 A N 2.224 125.035 122.820 -0.014 0.000 2.325 107 A HA 0.107 4.427 4.320 0.000 0.000 0.260 107 A C -0.125 177.453 177.584 -0.010 0.000 1.133 107 A CA -0.225 51.806 52.037 -0.011 0.000 0.801 107 A CB 0.076 19.070 19.000 -0.010 0.000 1.092 107 A HN 0.188 nan 8.150 nan 0.000 0.504 108 K N 0.761 121.157 120.400 -0.006 0.000 2.379 108 K HA 0.233 4.553 4.320 0.000 0.000 0.284 108 K C -0.194 176.407 176.600 0.001 0.000 1.044 108 K CA 0.337 56.621 56.287 -0.006 0.000 0.974 108 K CB 0.472 32.969 32.500 -0.006 0.000 0.962 108 K HN 0.690 nan 8.250 nan 0.000 0.474 109 Q N 0.645 120.443 119.800 -0.004 0.000 2.572 109 Q HA 0.516 4.856 4.340 0.000 0.000 0.284 109 Q C -0.360 175.644 176.000 0.007 0.000 1.091 109 Q CA -1.161 54.645 55.803 0.005 0.000 0.840 109 Q CB 1.787 30.515 28.738 -0.018 0.000 1.433 109 Q HN 0.435 nan 8.270 nan 0.000 0.471 110 V N -2.298 117.633 119.914 0.028 0.000 3.093 110 V HA 0.827 4.947 4.120 0.000 0.000 0.320 110 V C -0.254 175.862 176.094 0.038 0.000 1.093 110 V CA -0.760 61.545 62.300 0.010 0.000 1.016 110 V CB 1.520 33.343 31.823 -0.000 0.000 1.096 110 V HN 0.944 nan 8.190 nan 0.000 0.452 111 T N -1.153 113.429 114.554 0.046 0.000 2.863 111 T HA 0.761 5.111 4.350 0.000 0.000 0.285 111 T C -0.809 173.977 174.700 0.144 0.000 1.009 111 T CA -0.672 61.492 62.100 0.106 0.000 0.989 111 T CB 1.540 70.464 68.868 0.094 0.000 1.004 111 T HN 0.803 nan 8.240 nan 0.000 0.455 112 V N 2.308 122.353 119.914 0.219 0.000 2.326 112 V HA 0.657 4.777 4.120 0.000 0.000 0.281 112 V C 0.869 177.051 176.094 0.146 0.000 1.015 112 V CA -0.257 62.163 62.300 0.202 0.000 0.823 112 V CB 0.009 32.002 31.823 0.284 0.000 1.009 112 V HN 1.603 nan 8.190 nan 0.000 0.436 113 A N 3.952 126.836 122.820 0.107 0.000 2.783 113 A HA 0.007 4.327 4.320 0.000 0.000 0.292 113 A C 1.843 179.477 177.584 0.083 0.000 1.495 113 A CA 1.400 53.484 52.037 0.078 0.000 0.787 113 A CB -1.497 17.527 19.000 0.040 0.000 1.017 113 A HN 2.532 nan 8.150 nan 0.000 0.516 114 G N -3.681 105.180 108.800 0.102 0.000 2.268 114 G HA2 -0.080 3.880 3.960 0.000 0.000 0.240 114 G HA3 -0.080 3.880 3.960 0.000 0.000 0.240 114 G C 0.491 175.457 174.900 0.109 0.000 1.010 114 G CA 0.349 45.505 45.100 0.093 0.000 0.618 114 G HN 1.861 nan 8.290 nan 0.000 0.516 115 V N 4.058 124.065 119.914 0.155 0.000 2.488 115 V HA 0.423 4.543 4.120 0.000 0.000 0.277 115 V C -1.337 174.884 176.094 0.211 0.000 1.046 115 V CA -1.126 61.300 62.300 0.211 0.000 0.986 115 V CB 1.252 33.276 31.823 0.335 0.000 0.989 115 V HN 0.303 nan 8.190 nan 0.000 0.475 116 P HA 0.075 nan 4.420 nan 0.000 0.271 116 P C -0.390 176.819 177.300 -0.150 0.000 1.233 116 P CA -0.132 62.971 63.100 0.006 0.000 0.764 116 P CB 0.641 32.333 31.700 -0.013 0.000 0.825 117 M N 6.621 126.123 119.600 -0.163 0.000 2.162 117 M HA 0.297 4.777 4.480 0.000 0.000 0.356 117 M C -2.367 173.721 176.300 -0.354 0.000 1.303 117 M CA -2.198 52.819 55.300 -0.471 0.000 1.116 117 M CB 0.713 33.268 32.600 -0.075 0.000 1.632 117 M HN 0.075 nan 8.290 nan 0.000 0.469 118 P HA 0.013 nan 4.420 nan 0.000 0.262 118 P C -0.061 177.151 177.300 -0.147 0.000 1.199 118 P CA -0.034 62.909 63.100 -0.261 0.000 0.763 118 P CB 0.399 31.935 31.700 -0.273 0.000 0.790 119 R N 3.630 124.078 120.500 -0.088 0.000 2.134 119 R HA -0.234 4.106 4.340 0.000 0.000 0.248 119 R C 1.326 177.591 176.300 -0.059 0.000 1.143 119 R CA 2.548 58.619 56.100 -0.048 0.000 0.957 119 R CB -1.418 28.858 30.300 -0.038 0.000 0.867 119 R HN 0.669 nan 8.270 nan 0.000 0.441 120 D N -0.104 120.255 120.400 -0.069 0.000 2.309 120 D HA -0.074 4.566 4.640 0.000 0.000 0.212 120 D C 1.428 177.682 176.300 -0.078 0.000 0.968 120 D CA 1.114 55.072 54.000 -0.071 0.000 0.882 120 D CB -0.002 40.763 40.800 -0.060 0.000 0.918 120 D HN 0.248 nan 8.370 nan 0.000 0.503 121 A N 0.136 122.915 122.820 -0.068 0.000 2.178 121 A HA 0.019 4.339 4.320 0.000 0.000 0.211 121 A C 1.924 179.488 177.584 -0.034 0.000 1.157 121 A CA 0.204 52.220 52.037 -0.035 0.000 0.780 121 A CB -0.309 18.698 19.000 0.012 0.000 0.828 121 A HN 0.166 nan 8.150 nan 0.000 0.476 122 E N 0.419 120.589 120.200 -0.050 0.000 2.058 122 E HA -0.133 4.217 4.350 0.000 0.000 0.194 122 E C -0.845 175.602 176.600 -0.255 0.000 0.997 122 E CA 1.431 57.782 56.400 -0.080 0.000 0.801 122 E CB -0.599 29.056 29.700 -0.074 0.000 0.746 122 E HN 0.527 nan 8.360 nan 0.000 0.450 123 P HA 0.046 nan 4.420 nan 0.000 0.255 123 P C 0.256 177.149 177.300 -0.678 0.000 1.301 123 P CA 0.469 63.338 63.100 -0.385 0.000 0.817 123 P CB 0.400 31.938 31.700 -0.270 0.000 1.259 124 R N -0.660 119.509 120.500 -0.551 0.000 2.334 124 R HA 0.131 4.472 4.340 0.000 0.000 0.216 124 R C 0.184 176.127 176.300 -0.594 0.000 0.905 124 R CA -0.317 55.438 56.100 -0.576 0.000 1.064 124 R CB -0.944 29.224 30.300 -0.220 0.000 1.046 124 R HN 0.341 nan 8.270 nan 0.000 0.508 125 H N -1.006 117.988 119.070 -0.128 0.000 4.560 125 H HA -0.213 4.343 4.556 0.000 0.000 0.259 125 H C -0.704 174.723 175.328 0.164 0.000 0.556 125 H CA 0.110 56.098 56.048 -0.099 0.000 0.698 125 H CB -0.804 28.659 29.762 -0.499 0.000 1.001 125 H HN 0.068 nan 8.280 nan 0.000 0.304 126 L N 1.837 123.335 121.223 0.459 0.000 2.362 126 L HA 0.605 4.945 4.340 0.000 0.000 0.275 126 L C -1.234 175.885 176.870 0.415 0.000 0.998 126 L CA -0.805 54.278 54.840 0.405 0.000 0.820 126 L CB 1.630 43.872 42.059 0.304 0.000 1.270 126 L HN 0.515 nan 8.230 nan 0.000 0.415 127 L N 5.923 127.258 121.223 0.188 0.000 2.319 127 L HA 0.650 4.990 4.340 0.000 0.000 0.281 127 L C -1.203 175.633 176.870 -0.056 0.000 1.005 127 L CA -0.284 54.475 54.840 -0.134 0.000 0.828 127 L CB 1.783 43.622 42.059 -0.367 0.000 1.227 127 L HN 0.411 nan 8.230 nan 0.000 0.415 128 V N 5.119 125.006 119.914 -0.045 0.000 2.347 128 V HA 0.451 4.571 4.120 0.000 0.000 0.280 128 V C -0.152 175.925 176.094 -0.028 0.000 1.021 128 V CA -0.621 61.674 62.300 -0.008 0.000 0.847 128 V CB 1.329 33.174 31.823 0.036 0.000 0.990 128 V HN 0.840 nan 8.190 nan 0.000 0.444 129 N N 3.170 121.855 118.700 -0.025 0.000 2.362 129 N HA 0.820 5.560 4.740 0.000 0.000 0.298 129 N C -0.294 175.218 175.510 0.002 0.000 1.048 129 N CA 0.114 53.150 53.050 -0.024 0.000 0.858 129 N CB 1.927 40.392 38.487 -0.036 0.000 1.218 129 N HN 0.941 nan 8.380 nan 0.000 0.488 130 G N 0.352 109.156 108.800 0.007 0.000 2.411 130 G HA2 0.530 4.490 3.960 0.000 0.000 0.295 130 G HA3 0.530 4.490 3.960 0.000 0.000 0.295 130 G C -1.214 173.697 174.900 0.018 0.000 1.542 130 G CA -0.278 44.833 45.100 0.018 0.000 0.814 130 G HN 0.752 nan 8.290 nan 0.000 0.557 131 A N -0.067 122.765 122.820 0.020 0.000 2.262 131 A HA 0.767 5.087 4.320 0.000 0.000 0.273 131 A C 1.020 178.616 177.584 0.021 0.000 1.202 131 A CA 0.764 52.812 52.037 0.018 0.000 0.811 131 A CB 0.187 19.197 19.000 0.017 0.000 1.159 131 A HN 1.650 nan 8.150 nan 0.000 0.505 132 T N -1.260 113.306 114.554 0.020 0.000 2.869 132 T HA 0.470 4.820 4.350 0.000 0.000 0.295 132 T C 1.157 175.868 174.700 0.019 0.000 0.987 132 T CA 1.235 63.347 62.100 0.021 0.000 1.109 132 T CB 0.126 69.006 68.868 0.020 0.000 0.932 132 T HN 2.274 nan 8.240 nan 0.000 0.518 133 G N 3.158 111.969 108.800 0.020 0.000 2.179 133 G HA2 -0.327 3.633 3.960 0.000 0.000 0.260 133 G HA3 -0.327 3.633 3.960 0.000 0.000 0.260 133 G C 0.992 175.904 174.900 0.019 0.000 0.977 133 G CA 1.109 46.219 45.100 0.017 0.000 0.641 133 G HN 1.184 nan 8.290 nan 0.000 0.533 134 T N -2.347 112.220 114.554 0.022 0.000 3.055 134 T HA 0.412 4.762 4.350 0.000 0.000 0.265 134 T C 2.156 176.872 174.700 0.027 0.000 1.111 134 T CA 1.745 63.859 62.100 0.024 0.000 1.118 134 T CB 0.285 69.169 68.868 0.026 0.000 0.909 134 T HN 2.181 nan 8.240 nan 0.000 0.501 135 G N 1.055 109.874 108.800 0.031 0.000 2.155 135 G HA2 -0.150 3.810 3.960 0.000 0.000 0.130 135 G HA3 -0.150 3.810 3.960 0.000 0.000 0.130 135 G C 0.784 175.711 174.900 0.046 0.000 1.027 135 G CA 0.082 45.205 45.100 0.038 0.000 0.705 135 G HN 0.363 nan 8.290 nan 0.000 0.496 136 K N 0.850 121.277 120.400 0.045 0.000 2.063 136 K HA -0.107 4.213 4.320 0.000 0.000 0.208 136 K C 2.538 179.177 176.600 0.065 0.000 1.048 136 K CA 1.785 58.105 56.287 0.056 0.000 0.928 136 K CB -0.298 32.234 32.500 0.054 0.000 0.713 136 K HN 0.431 nan 8.250 nan 0.000 0.442 137 S N 1.288 117.020 115.700 0.053 0.000 2.344 137 S HA -0.119 4.351 4.470 0.000 0.000 0.217 137 S C 2.302 176.934 174.600 0.054 0.000 1.033 137 S CA 1.469 59.697 58.200 0.046 0.000 1.017 137 S CB -0.628 62.590 63.200 0.029 0.000 0.941 137 S HN 0.025 nan 8.310 nan 0.000 0.430 138 V N 2.583 122.536 119.914 0.064 0.000 2.313 138 V HA -0.239 3.881 4.120 0.000 0.000 0.253 138 V C 2.217 178.372 176.094 0.102 0.000 1.070 138 V CA 2.003 64.358 62.300 0.093 0.000 1.057 138 V CB -0.835 31.039 31.823 0.085 0.000 0.653 138 V HN 0.415 nan 8.190 nan 0.000 0.450 139 L N -1.096 120.179 121.223 0.087 0.000 2.023 139 L HA -0.130 4.210 4.340 0.000 0.000 0.205 139 L C 2.377 179.306 176.870 0.098 0.000 1.073 139 L CA 1.545 56.442 54.840 0.094 0.000 0.745 139 L CB -0.159 41.951 42.059 0.085 0.000 0.900 139 L HN 0.220 nan 8.230 nan 0.000 0.435 140 L N 0.186 121.471 121.223 0.103 0.000 2.079 140 L HA -0.220 4.120 4.340 0.000 0.000 0.210 140 L C 2.736 179.585 176.870 -0.035 0.000 1.081 140 L CA 1.640 56.556 54.840 0.127 0.000 0.752 140 L CB -0.826 41.333 42.059 0.166 0.000 0.896 140 L HN 0.249 nan 8.230 nan 0.000 0.433 141 R N -0.352 120.128 120.500 -0.033 0.000 2.073 141 R HA -0.213 4.127 4.340 0.000 0.000 0.234 141 R C 2.316 178.565 176.300 -0.086 0.000 1.134 141 R CA 1.743 57.783 56.100 -0.100 0.000 0.952 141 R CB -0.169 30.099 30.300 -0.053 0.000 0.850 141 R HN 0.525 nan 8.270 nan 0.000 0.433 142 E N 0.586 120.837 120.200 0.085 0.000 2.038 142 E HA -0.248 4.102 4.350 0.000 0.000 0.195 142 E C 2.099 178.745 176.600 0.076 0.000 1.000 142 E CA 1.336 57.856 56.400 0.200 0.000 0.803 142 E CB -0.272 29.547 29.700 0.197 0.000 0.750 142 E HN 0.368 nan 8.360 nan 0.000 0.448 143 L N 0.486 121.721 121.223 0.019 0.000 1.997 143 L HA -0.290 4.050 4.340 0.000 0.000 0.216 143 L C 2.679 179.412 176.870 -0.228 0.000 1.074 143 L CA 1.849 56.659 54.840 -0.050 0.000 0.763 143 L CB -0.644 41.457 42.059 0.070 0.000 0.890 143 L HN 0.380 nan 8.230 nan 0.000 0.434 144 A N -1.051 121.550 122.820 -0.365 0.000 1.865 144 A HA -0.326 3.994 4.320 0.000 0.000 0.217 144 A C 2.094 179.324 177.584 -0.590 0.000 1.191 144 A CA 1.929 53.564 52.037 -0.670 0.000 0.623 144 A CB -1.163 17.217 19.000 -1.034 0.000 0.826 144 A HN 0.584 nan 8.150 nan 0.000 0.444 145 Y N 2.029 121.909 120.300 -0.699 0.000 2.014 145 Y HA -0.319 4.231 4.550 0.000 0.000 0.272 145 Y C 2.953 178.736 175.900 -0.194 0.000 1.164 145 Y CA 2.888 60.725 58.100 -0.437 0.000 1.114 145 Y CB -1.279 37.186 38.460 0.007 0.000 0.961 145 Y HN 0.479 nan 8.280 nan 0.000 0.489 146 T N -2.284 112.088 114.554 -0.303 0.000 2.737 146 T HA -0.193 4.157 4.350 0.000 0.000 0.269 146 T C 2.217 176.748 174.700 -0.282 0.000 1.040 146 T CA 1.692 63.582 62.100 -0.350 0.000 1.142 146 T CB -1.540 67.240 68.868 -0.147 0.000 0.861 146 T HN 0.463 nan 8.240 nan 0.000 0.456 147 G N 0.984 109.608 108.800 -0.295 0.000 2.443 147 G HA2 0.073 4.034 3.960 0.000 0.000 0.219 147 G HA3 0.073 4.034 3.960 0.000 0.000 0.219 147 G C 1.533 176.330 174.900 -0.172 0.000 1.131 147 G CA 0.537 45.481 45.100 -0.260 0.000 0.775 147 G HN 0.540 nan 8.290 nan 0.000 0.547 148 L N -0.108 120.984 121.223 -0.218 0.000 2.131 148 L HA 0.132 4.472 4.340 0.000 0.000 0.206 148 L C 2.749 179.562 176.870 -0.095 0.000 1.087 148 L CA 0.256 55.022 54.840 -0.123 0.000 0.767 148 L CB -0.330 41.660 42.059 -0.116 0.000 0.917 148 L HN 0.147 nan 8.230 nan 0.000 0.441 149 L N -0.230 120.882 121.223 -0.186 0.000 2.127 149 L HA -0.218 4.123 4.340 0.000 0.000 0.211 149 L C 2.667 179.486 176.870 -0.085 0.000 1.089 149 L CA 1.219 55.963 54.840 -0.159 0.000 0.757 149 L CB -0.506 41.373 42.059 -0.300 0.000 0.899 149 L HN 0.285 nan 8.230 nan 0.000 0.434 150 R N 0.332 120.786 120.500 -0.076 0.000 2.275 150 R HA 0.013 4.353 4.340 0.000 0.000 0.199 150 R C 1.062 177.364 176.300 0.004 0.000 0.989 150 R CA 0.710 56.795 56.100 -0.026 0.000 1.016 150 R CB 0.208 30.506 30.300 -0.004 0.000 0.918 150 R HN 0.368 nan 8.270 nan 0.000 0.473 151 G N 1.478 110.280 108.800 0.003 0.000 2.165 151 G HA2 -0.181 3.779 3.960 0.000 0.000 0.226 151 G HA3 -0.181 3.779 3.960 0.000 0.000 0.226 151 G C -0.857 174.075 174.900 0.055 0.000 1.035 151 G CA 0.113 45.229 45.100 0.026 0.000 0.744 151 G HN 0.395 nan 8.290 nan 0.000 0.501 152 D N -0.148 120.304 120.400 0.086 0.000 2.283 152 D HA 0.465 5.105 4.640 0.000 0.000 0.248 152 D C 0.969 177.368 176.300 0.165 0.000 1.072 152 D CA -0.134 53.969 54.000 0.172 0.000 0.929 152 D CB 1.019 42.039 40.800 0.367 0.000 1.182 152 D HN 0.319 nan 8.370 nan 0.000 0.433 153 R N 0.420 121.024 120.500 0.174 0.000 2.573 153 R HA 0.695 5.035 4.340 0.000 0.000 0.272 153 R C 0.237 176.700 176.300 0.271 0.000 1.009 153 R CA -0.558 55.631 56.100 0.148 0.000 1.059 153 R CB 1.295 31.603 30.300 0.014 0.000 1.112 153 R HN 0.514 nan 8.270 nan 0.000 0.517 154 M N -1.516 118.248 119.600 0.273 0.000 2.732 154 M HA 0.409 4.889 4.480 0.000 0.000 0.272 154 M C -1.729 174.764 176.300 0.322 0.000 1.203 154 M CA -1.089 54.425 55.300 0.357 0.000 0.841 154 M CB 1.727 34.569 32.600 0.402 0.000 1.685 154 M HN 0.237 nan 8.290 nan 0.000 0.492 155 V N 2.233 122.341 119.914 0.323 0.000 2.604 155 V HA 0.651 4.771 4.120 0.000 0.000 0.305 155 V C -0.652 175.548 176.094 0.177 0.000 1.043 155 V CA -0.518 61.900 62.300 0.196 0.000 0.888 155 V CB 2.072 34.033 31.823 0.230 0.000 0.995 155 V HN 0.745 nan 8.190 nan 0.000 0.429 156 I N 4.146 124.718 120.570 0.004 0.000 2.468 156 I HA 0.304 4.474 4.170 0.000 0.000 0.284 156 I C -0.328 175.883 176.117 0.156 0.000 1.038 156 I CA -0.814 60.520 61.300 0.056 0.000 1.083 156 I CB 2.062 39.926 38.000 -0.228 0.000 1.223 156 I HN 0.257 nan 8.210 nan 0.000 0.443 157 V N 4.792 124.869 119.914 0.270 0.000 2.359 157 V HA -0.029 4.092 4.120 0.000 0.000 0.248 157 V C -0.013 176.304 176.094 0.370 0.000 1.091 157 V CA 0.503 63.044 62.300 0.401 0.000 1.103 157 V CB -0.032 32.021 31.823 0.383 0.000 1.176 157 V HN 0.628 nan 8.190 nan 0.000 0.488 158 D N 7.402 127.975 120.400 0.288 0.000 2.460 158 D HA 0.372 5.012 4.640 0.000 0.000 0.232 158 D C -2.692 173.333 176.300 -0.458 0.000 1.079 158 D CA -2.223 51.790 54.000 0.022 0.000 0.864 158 D CB 1.796 42.684 40.800 0.148 0.000 1.048 158 D HN 0.242 nan 8.370 nan 0.000 0.523 159 P HA 0.146 nan 4.420 nan 0.000 0.271 159 P C -0.234 176.617 177.300 -0.748 0.000 1.216 159 P CA -0.143 62.124 63.100 -1.388 0.000 0.771 159 P CB 0.418 31.699 31.700 -0.698 0.000 0.864 160 N N 2.328 120.565 118.700 -0.772 0.000 2.708 160 N HA -0.216 4.524 4.740 0.000 0.000 0.249 160 N C 0.865 176.223 175.510 -0.253 0.000 1.097 160 N CA 1.453 54.255 53.050 -0.414 0.000 0.710 160 N CB -1.825 36.481 38.487 -0.302 0.000 1.032 160 N HN 0.904 nan 8.380 nan 0.000 0.551 161 G N -0.094 108.570 108.800 -0.227 0.000 2.337 161 G HA2 -0.372 3.588 3.960 0.000 0.000 0.290 161 G HA3 -0.372 3.588 3.960 0.000 0.000 0.290 161 G C 0.852 175.694 174.900 -0.096 0.000 1.003 161 G CA 0.944 45.979 45.100 -0.108 0.000 0.825 161 G HN 0.480 nan 8.290 nan 0.000 0.509 162 D N 0.168 120.505 120.400 -0.106 0.000 2.095 162 D HA -0.140 4.500 4.640 0.000 0.000 0.192 162 D C 2.727 178.990 176.300 -0.061 0.000 0.990 162 D CA 1.495 55.439 54.000 -0.093 0.000 0.836 162 D CB -0.171 40.575 40.800 -0.090 0.000 0.979 162 D HN 0.326 nan 8.370 nan 0.000 0.447 163 M N 0.117 119.748 119.600 0.053 0.000 2.108 163 M HA -0.170 4.310 4.480 0.000 0.000 0.257 163 M C 2.356 178.838 176.300 0.303 0.000 1.071 163 M CA 0.829 56.279 55.300 0.249 0.000 1.093 163 M CB -1.115 31.677 32.600 0.321 0.000 1.345 163 M HN 0.094 nan 8.290 nan 0.000 0.403 164 L N 0.954 122.254 121.223 0.128 0.000 1.971 164 L HA -0.200 4.140 4.340 0.000 0.000 0.215 164 L C 2.728 179.403 176.870 -0.324 0.000 1.072 164 L CA 2.609 57.159 54.840 -0.484 0.000 0.758 164 L CB -1.114 40.596 42.059 -0.581 0.000 0.889 164 L HN 0.502 nan 8.230 nan 0.000 0.433 165 S N -1.764 113.803 115.700 -0.223 0.000 2.469 165 S HA -0.136 4.334 4.470 0.000 0.000 0.238 165 S C 1.835 176.295 174.600 -0.232 0.000 0.998 165 S CA 0.849 58.932 58.200 -0.195 0.000 0.957 165 S CB -0.392 62.719 63.200 -0.148 0.000 0.764 165 S HN 0.472 nan 8.310 nan 0.000 0.514 166 K N 0.025 120.215 120.400 -0.350 0.000 2.214 166 K HA 0.285 4.605 4.320 0.000 0.000 0.201 166 K C 1.021 177.235 176.600 -0.644 0.000 1.049 166 K CA 0.701 56.618 56.287 -0.615 0.000 0.978 166 K CB -0.291 31.557 32.500 -1.086 0.000 0.842 166 K HN 0.552 nan 8.250 nan 0.000 0.474 167 F N 0.829 120.778 119.950 -0.001 0.000 2.727 167 F HA 0.286 4.813 4.527 0.000 0.000 0.302 167 F C 1.365 177.238 175.800 0.123 0.000 1.107 167 F CA -0.752 57.299 58.000 0.085 0.000 1.277 167 F CB -0.587 38.484 39.000 0.119 0.000 1.079 167 F HN -0.139 nan 8.300 nan 0.000 0.594 168 G N 1.706 110.571 108.800 0.107 0.000 2.287 168 G HA2 0.285 4.245 3.960 0.000 0.000 0.235 168 G HA3 0.285 4.245 3.960 0.000 0.000 0.235 168 G C 0.034 174.950 174.900 0.027 0.000 1.258 168 G CA -0.178 44.875 45.100 -0.078 0.000 0.884 168 G HN 0.199 nan 8.290 nan 0.000 0.518 169 R N 0.861 121.414 120.500 0.089 0.000 2.943 169 R HA 0.343 4.683 4.340 0.000 0.000 0.246 169 R C 0.691 177.021 176.300 0.051 0.000 1.201 169 R CA -0.899 55.249 56.100 0.080 0.000 1.056 169 R CB 1.141 31.515 30.300 0.124 0.000 1.243 169 R HN 0.452 nan 8.270 nan 0.000 0.498 170 D N 1.110 121.539 120.400 0.048 0.000 2.183 170 D HA -0.128 4.513 4.640 0.000 0.000 0.203 170 D C 0.947 177.283 176.300 0.060 0.000 0.969 170 D CA 1.352 55.374 54.000 0.036 0.000 0.842 170 D CB 0.202 41.020 40.800 0.030 0.000 0.957 170 D HN 0.456 nan 8.370 nan 0.000 0.484 171 K N 0.864 121.319 120.400 0.092 0.000 2.487 171 K HA 0.025 4.345 4.320 0.000 0.000 0.192 171 K C 0.089 176.791 176.600 0.171 0.000 1.027 171 K CA 0.150 56.509 56.287 0.121 0.000 1.054 171 K CB 0.286 32.860 32.500 0.123 0.000 0.824 171 K HN -0.118 nan 8.250 nan 0.000 0.510 172 D N 1.421 121.922 120.400 0.168 0.000 2.329 172 D HA 0.178 4.818 4.640 0.000 0.000 0.246 172 D C 0.201 176.581 176.300 0.133 0.000 1.111 172 D CA -0.336 53.803 54.000 0.232 0.000 0.941 172 D CB 0.906 41.902 40.800 0.325 0.000 1.169 172 D HN -0.053 nan 8.370 nan 0.000 0.441 173 I N 1.188 121.820 120.570 0.102 0.000 2.488 173 I HA 0.409 4.579 4.170 0.000 0.000 0.299 173 I C 0.443 176.468 176.117 -0.152 0.000 0.984 173 I CA -0.569 60.642 61.300 -0.148 0.000 1.250 173 I CB 0.789 38.502 38.000 -0.479 0.000 1.389 173 I HN 0.198 nan 8.210 nan 0.000 0.488 174 I N 5.463 125.873 120.570 -0.266 0.000 2.533 174 I HA 0.401 4.571 4.170 0.000 0.000 0.290 174 I C -0.907 175.006 176.117 -0.340 0.000 1.056 174 I CA -0.525 60.650 61.300 -0.209 0.000 1.057 174 I CB 2.558 40.480 38.000 -0.130 0.000 1.240 174 I HN 0.218 nan 8.210 nan 0.000 0.423 175 L N 6.241 127.256 121.223 -0.347 0.000 2.377 175 L HA 0.537 4.877 4.340 0.000 0.000 0.270 175 L C -0.808 176.000 176.870 -0.103 0.000 0.991 175 L CA -0.357 54.181 54.840 -0.504 0.000 0.851 175 L CB 1.397 42.706 42.059 -1.250 0.000 1.218 175 L HN 0.560 nan 8.230 nan 0.000 0.420 176 N N 5.414 124.175 118.700 0.101 0.000 2.976 176 N HA 0.146 4.886 4.740 0.000 0.000 0.249 176 N C -2.315 173.376 175.510 0.302 0.000 1.258 176 N CA -0.959 52.284 53.050 0.322 0.000 0.864 176 N CB 2.400 41.074 38.487 0.312 0.000 1.551 176 N HN 0.115 nan 8.380 nan 0.000 0.607 177 P HA -0.131 nan 4.420 nan 0.000 0.220 177 P C 0.246 177.493 177.300 -0.088 0.000 1.144 177 P CA 1.326 64.491 63.100 0.109 0.000 0.800 177 P CB 0.089 31.829 31.700 0.066 0.000 0.772 178 Y N -0.907 119.531 120.300 0.231 0.000 2.571 178 Y HA 0.314 4.864 4.550 0.000 0.000 0.275 178 Y C 0.731 176.824 175.900 0.320 0.000 1.179 178 Y CA -0.830 57.430 58.100 0.266 0.000 1.242 178 Y CB -0.095 38.548 38.460 0.304 0.000 1.126 178 Y HN -0.065 nan 8.280 nan 0.000 0.524 179 D N 0.200 120.783 120.400 0.304 0.000 2.391 179 D HA 0.078 4.718 4.640 0.000 0.000 0.245 179 D C 0.949 177.232 176.300 -0.028 0.000 1.069 179 D CA -0.234 53.828 54.000 0.103 0.000 0.831 179 D CB 1.896 42.810 40.800 0.190 0.000 1.204 179 D HN 0.079 nan 8.370 nan 0.000 0.503 180 Q N 3.048 122.769 119.800 -0.131 0.000 2.197 180 Q HA -0.206 4.135 4.340 0.000 0.000 0.211 180 Q C 1.364 177.320 176.000 -0.073 0.000 0.993 180 Q CA 1.871 57.613 55.803 -0.102 0.000 0.883 180 Q CB 0.174 28.829 28.738 -0.138 0.000 0.916 180 Q HN 0.443 nan 8.270 nan 0.000 0.418 181 R N -0.661 119.792 120.500 -0.078 0.000 2.297 181 R HA 0.098 4.438 4.340 0.000 0.000 0.197 181 R C 0.828 177.085 176.300 -0.071 0.000 0.943 181 R CA 0.530 56.587 56.100 -0.071 0.000 1.038 181 R CB -0.103 30.146 30.300 -0.085 0.000 0.957 181 R HN 0.114 nan 8.270 nan 0.000 0.484 182 T N 0.876 115.398 114.554 -0.053 0.000 2.791 182 T HA -0.012 4.338 4.350 0.000 0.000 0.323 182 T C 0.339 174.983 174.700 -0.094 0.000 1.082 182 T CA 0.103 62.155 62.100 -0.079 0.000 1.084 182 T CB 0.511 69.369 68.868 -0.017 0.000 0.992 182 T HN -0.111 nan 8.240 nan 0.000 0.547 183 K N 1.223 121.520 120.400 -0.173 0.000 2.090 183 K HA 0.479 4.799 4.320 0.000 0.000 0.249 183 K C 0.398 177.012 176.600 0.024 0.000 0.995 183 K CA -0.473 55.736 56.287 -0.130 0.000 0.914 183 K CB 1.208 33.473 32.500 -0.392 0.000 1.057 183 K HN 0.789 nan 8.250 nan 0.000 0.462 184 G N 0.566 109.439 108.800 0.122 0.000 2.325 184 G HA2 0.372 4.332 3.960 0.000 0.000 0.298 184 G HA3 0.372 4.332 3.960 0.000 0.000 0.298 184 G C -1.430 173.679 174.900 0.348 0.000 1.134 184 G CA -0.333 44.881 45.100 0.190 0.000 0.876 184 G HN 0.575 nan 8.290 nan 0.000 0.452 185 W N 2.076 123.476 121.300 0.166 0.000 3.213 185 W HA 0.635 5.295 4.660 0.000 0.000 0.318 185 W C -0.750 175.946 176.519 0.296 0.000 1.248 185 W CA -0.795 56.696 57.345 0.244 0.000 1.187 185 W CB 2.080 31.707 29.460 0.278 0.000 1.403 185 W HN 0.767 nan 8.180 nan 0.000 0.556 186 S N 3.461 118.536 115.700 -1.041 0.000 2.556 186 S HA 0.351 4.821 4.470 0.000 0.000 0.271 186 S C 0.218 173.811 174.600 -1.678 0.000 1.135 186 S CA -0.289 57.274 58.200 -1.063 0.000 0.858 186 S CB 0.380 63.420 63.200 -0.267 0.000 1.114 186 S HN 0.919 nan 8.310 nan 0.000 0.468 187 F N 2.236 121.480 119.950 -1.177 0.000 2.293 187 F HA 0.174 4.701 4.527 0.000 0.000 0.300 187 F C 1.329 176.858 175.800 -0.452 0.000 1.086 187 F CA 0.795 58.434 58.000 -0.602 0.000 1.375 187 F CB -0.899 37.946 39.000 -0.259 0.000 1.045 187 F HN 0.527 nan 8.300 nan 0.000 0.516 188 F N 1.847 121.050 119.950 -1.245 0.000 2.115 188 F HA -0.280 4.247 4.527 0.000 0.000 0.300 188 F C 1.987 177.447 175.800 -0.567 0.000 1.092 188 F CA 1.791 59.226 58.000 -0.941 0.000 1.245 188 F CB -1.030 37.578 39.000 -0.652 0.000 0.995 188 F HN 0.036 nan 8.300 nan 0.000 0.481 189 N N 0.318 118.845 118.700 -0.288 0.000 2.651 189 N HA -0.141 4.599 4.740 0.000 0.000 0.193 189 N C 0.978 176.392 175.510 -0.160 0.000 1.149 189 N CA 0.945 53.888 53.050 -0.178 0.000 0.933 189 N CB -0.365 38.057 38.487 -0.108 0.000 0.974 189 N HN 0.464 nan 8.380 nan 0.000 0.448 190 E N -0.299 119.732 120.200 -0.282 0.000 2.562 190 E HA 0.145 4.495 4.350 0.000 0.000 0.214 190 E C 0.095 176.408 176.600 -0.479 0.000 0.979 190 E CA -0.223 55.952 56.400 -0.374 0.000 1.002 190 E CB 0.885 30.228 29.700 -0.594 0.000 1.048 190 E HN 0.170 nan 8.360 nan 0.000 0.488 191 I N 2.096 122.388 120.570 -0.464 0.000 2.379 191 I HA 0.128 4.298 4.170 0.000 0.000 0.290 191 I C 1.411 177.333 176.117 -0.324 0.000 1.063 191 I CA 0.302 61.301 61.300 -0.502 0.000 1.351 191 I CB 0.560 38.067 38.000 -0.822 0.000 1.410 191 I HN -0.077 nan 8.210 nan 0.000 0.505 192 R N 3.824 124.163 120.500 -0.268 0.000 2.435 192 R HA 0.278 4.618 4.340 0.000 0.000 0.221 192 R C -0.012 176.192 176.300 -0.160 0.000 0.885 192 R CA 0.005 56.003 56.100 -0.171 0.000 1.018 192 R CB 0.768 31.001 30.300 -0.112 0.000 1.259 192 R HN 0.605 nan 8.270 nan 0.000 0.597 193 N N 0.099 118.641 118.700 -0.264 0.000 2.697 193 N HA 0.039 4.779 4.740 0.000 0.000 0.272 193 N C -0.220 175.191 175.510 -0.166 0.000 1.381 193 N CA -0.441 52.496 53.050 -0.188 0.000 0.797 193 N CB 1.634 39.980 38.487 -0.235 0.000 1.523 193 N HN -0.219 nan 8.380 nan 0.000 0.518 194 D N -0.058 120.374 120.400 0.054 0.000 2.117 194 D HA -0.174 4.466 4.640 0.000 0.000 0.197 194 D C 1.748 178.194 176.300 0.244 0.000 0.987 194 D CA 1.584 55.727 54.000 0.238 0.000 0.829 194 D CB -0.044 40.906 40.800 0.249 0.000 0.961 194 D HN 0.649 nan 8.370 nan 0.000 0.460 195 Y N -0.524 119.858 120.300 0.137 0.000 2.483 195 Y HA 0.018 4.568 4.550 0.000 0.000 0.291 195 Y C 1.415 177.370 175.900 0.091 0.000 1.143 195 Y CA 0.804 58.970 58.100 0.110 0.000 1.289 195 Y CB -0.558 37.938 38.460 0.060 0.000 0.983 195 Y HN -0.106 nan 8.280 nan 0.000 0.556 196 D N 0.272 120.457 120.400 -0.357 0.000 2.264 196 D HA -0.158 4.482 4.640 0.000 0.000 0.208 196 D C 1.297 177.609 176.300 0.021 0.000 0.966 196 D CA 1.194 55.057 54.000 -0.229 0.000 0.864 196 D CB -0.386 40.236 40.800 -0.298 0.000 0.933 196 D HN 0.559 nan 8.370 nan 0.000 0.499 197 W N 1.359 122.743 121.300 0.140 0.000 2.352 197 W HA -0.211 4.449 4.660 0.000 0.000 0.322 197 W C 2.777 179.379 176.519 0.138 0.000 1.208 197 W CA 0.713 58.160 57.345 0.171 0.000 1.286 197 W CB -0.647 28.885 29.460 0.121 0.000 1.167 197 W HN -0.046 nan 8.180 nan 0.000 0.469 198 Q N 1.191 121.186 119.800 0.325 0.000 2.084 198 Q HA -0.220 4.120 4.340 0.000 0.000 0.202 198 Q C 2.188 178.242 176.000 0.090 0.000 0.978 198 Q CA 2.118 58.029 55.803 0.180 0.000 0.844 198 Q CB -0.597 28.227 28.738 0.142 0.000 0.898 198 Q HN 0.242 nan 8.270 nan 0.000 0.426 199 R N -1.202 119.325 120.500 0.045 0.000 2.112 199 R HA -0.238 4.102 4.340 0.000 0.000 0.242 199 R C 1.793 177.928 176.300 -0.274 0.000 1.137 199 R CA 2.183 58.192 56.100 -0.151 0.000 0.944 199 R CB -0.511 29.624 30.300 -0.275 0.000 0.857 199 R HN 0.476 nan 8.270 nan 0.000 0.435 200 Y N -0.638 119.710 120.300 0.079 0.000 2.475 200 Y HA 0.152 4.702 4.550 0.000 0.000 0.289 200 Y C 2.277 178.164 175.900 -0.022 0.000 1.121 200 Y CA 0.443 58.585 58.100 0.070 0.000 1.257 200 Y CB 0.020 38.558 38.460 0.129 0.000 1.026 200 Y HN 0.250 nan 8.280 nan 0.000 0.555 201 A N -0.049 122.819 122.820 0.079 0.000 2.019 201 A HA -0.142 4.178 4.320 0.000 0.000 0.219 201 A C 2.021 179.590 177.584 -0.026 0.000 1.164 201 A CA 1.202 53.216 52.037 -0.038 0.000 0.644 201 A CB -0.623 18.391 19.000 0.024 0.000 0.805 201 A HN 0.340 nan 8.150 nan 0.000 0.449 202 L N -0.098 121.127 121.223 0.003 0.000 2.093 202 L HA -0.062 4.278 4.340 0.000 0.000 0.208 202 L C 2.628 179.508 176.870 0.017 0.000 1.085 202 L CA 2.197 57.037 54.840 -0.001 0.000 0.755 202 L CB -1.314 40.738 42.059 -0.012 0.000 0.904 202 L HN 0.378 nan 8.230 nan 0.000 0.435 203 S N -0.981 114.752 115.700 0.055 0.000 2.387 203 S HA -0.097 4.373 4.470 0.000 0.000 0.226 203 S C 2.107 176.759 174.600 0.088 0.000 1.026 203 S CA 1.005 59.273 58.200 0.113 0.000 0.972 203 S CB -0.196 63.155 63.200 0.251 0.000 0.814 203 S HN 0.228 nan 8.310 nan 0.000 0.477 204 V N 1.387 121.314 119.914 0.021 0.000 2.270 204 V HA -0.028 4.092 4.120 0.000 0.000 0.245 204 V C 0.954 177.020 176.094 -0.046 0.000 1.043 204 V CA 1.019 63.271 62.300 -0.080 0.000 1.014 204 V CB -0.478 31.129 31.823 -0.359 0.000 0.645 204 V HN 0.304 nan 8.190 nan 0.000 0.447 205 V N 3.568 123.451 119.914 -0.051 0.000 2.270 205 V HA 0.284 4.404 4.120 0.000 0.000 0.263 205 V C -1.953 174.136 176.094 -0.009 0.000 1.066 205 V CA -1.684 60.603 62.300 -0.022 0.000 0.857 205 V CB 0.517 32.327 31.823 -0.021 0.000 1.099 205 V HN 0.355 nan 8.190 nan 0.000 0.476 206 P HA 0.134 nan 4.420 nan 0.000 0.272 206 P C -0.141 177.138 177.300 -0.035 0.000 1.254 206 P CA -0.498 62.590 63.100 -0.020 0.000 0.795 206 P CB 0.785 32.464 31.700 -0.034 0.000 1.022 207 R N -0.297 120.169 120.500 -0.058 0.000 2.590 207 R HA 0.263 4.603 4.340 0.000 0.000 0.274 207 R C 0.970 177.216 176.300 -0.090 0.000 1.061 207 R CA 0.214 56.271 56.100 -0.072 0.000 1.081 207 R CB -0.646 29.605 30.300 -0.081 0.000 0.984 207 R HN 0.619 nan 8.270 nan 0.000 0.448 208 G N 1.065 109.815 108.800 -0.083 0.000 2.467 208 G HA2 0.026 3.987 3.960 0.000 0.000 0.257 208 G HA3 0.026 3.987 3.960 0.000 0.000 0.257 208 G C 0.798 175.629 174.900 -0.115 0.000 1.227 208 G CA -0.422 44.624 45.100 -0.089 0.000 0.835 208 G HN 0.628 nan 8.290 nan 0.000 0.556 209 K N -0.064 120.272 120.400 -0.106 0.000 2.097 209 K HA -0.057 4.263 4.320 0.000 0.000 0.206 209 K C 1.352 177.887 176.600 -0.108 0.000 1.049 209 K CA 1.530 57.754 56.287 -0.106 0.000 0.933 209 K CB -0.072 32.380 32.500 -0.080 0.000 0.717 209 K HN 0.635 nan 8.250 nan 0.000 0.442 210 T N -2.463 112.006 114.554 -0.142 0.000 2.940 210 T HA 0.194 4.544 4.350 0.000 0.000 0.288 210 T C 0.429 175.007 174.700 -0.204 0.000 1.045 210 T CA -0.940 61.065 62.100 -0.158 0.000 1.018 210 T CB 1.451 70.214 68.868 -0.175 0.000 1.151 210 T HN -0.108 nan 8.240 nan 0.000 0.529 211 D N 0.339 120.630 120.400 -0.181 0.000 2.092 211 D HA -0.117 4.523 4.640 0.000 0.000 0.193 211 D C 1.895 178.020 176.300 -0.292 0.000 0.994 211 D CA 1.403 55.292 54.000 -0.185 0.000 0.828 211 D CB -0.061 40.659 40.800 -0.135 0.000 0.963 211 D HN 0.702 nan 8.370 nan 0.000 0.450 212 E N 0.394 120.365 120.200 -0.381 0.000 2.038 212 E HA -0.207 4.143 4.350 0.000 0.000 0.195 212 E C 2.098 178.025 176.600 -1.121 0.000 1.000 212 E CA 1.062 57.066 56.400 -0.661 0.000 0.803 212 E CB -0.121 29.189 29.700 -0.650 0.000 0.750 212 E HN 0.173 nan 8.360 nan 0.000 0.448 213 A N 1.486 123.739 122.820 -0.945 0.000 1.884 213 A HA -0.310 4.010 4.320 0.000 0.000 0.219 213 A C 2.065 179.438 177.584 -0.351 0.000 1.197 213 A CA 2.298 53.922 52.037 -0.689 0.000 0.637 213 A CB -0.728 18.096 19.000 -0.293 0.000 0.827 213 A HN 0.262 nan 8.150 nan 0.000 0.450 214 E N 0.019 120.052 120.200 -0.278 0.000 2.110 214 E HA -0.212 4.138 4.350 0.000 0.000 0.193 214 E C 1.926 178.416 176.600 -0.184 0.000 0.988 214 E CA 1.733 58.032 56.400 -0.169 0.000 0.804 214 E CB -0.348 29.262 29.700 -0.151 0.000 0.745 214 E HN 0.726 nan 8.360 nan 0.000 0.458 215 E N -0.701 119.333 120.200 -0.278 0.000 2.058 215 E HA -0.204 4.146 4.350 0.000 0.000 0.194 215 E C 1.569 178.065 176.600 -0.173 0.000 0.997 215 E CA 1.583 57.819 56.400 -0.274 0.000 0.801 215 E CB -0.258 29.324 29.700 -0.197 0.000 0.746 215 E HN 0.402 nan 8.360 nan 0.000 0.450 216 W N 0.368 121.687 121.300 0.032 0.000 2.335 216 W HA -0.081 4.579 4.660 0.000 0.000 0.311 216 W C 2.530 179.112 176.519 0.105 0.000 1.213 216 W CA 0.897 58.374 57.345 0.219 0.000 1.274 216 W CB -1.435 28.132 29.460 0.177 0.000 1.148 216 W HN 0.227 nan 8.180 nan 0.000 0.498 217 A N 1.006 123.970 122.820 0.240 0.000 1.948 217 A HA -0.266 4.054 4.320 0.000 0.000 0.220 217 A C 2.262 179.873 177.584 0.045 0.000 1.177 217 A CA 3.241 55.350 52.037 0.119 0.000 0.636 217 A CB -1.202 17.824 19.000 0.043 0.000 0.815 217 A HN 0.322 nan 8.150 nan 0.000 0.449 218 S N -1.138 114.517 115.700 -0.075 0.000 2.368 218 S HA -0.211 4.259 4.470 0.000 0.000 0.224 218 S C 1.898 176.466 174.600 -0.053 0.000 1.029 218 S CA 1.391 59.509 58.200 -0.136 0.000 0.988 218 S CB -1.014 62.012 63.200 -0.290 0.000 0.838 218 S HN 0.643 nan 8.310 nan 0.000 0.462 219 Y N 2.467 122.873 120.300 0.177 0.000 2.181 219 Y HA -0.002 4.548 4.550 0.000 0.000 0.288 219 Y C 3.066 179.121 175.900 0.260 0.000 1.146 219 Y CA 0.593 58.858 58.100 0.273 0.000 1.164 219 Y CB -1.022 37.647 38.460 0.349 0.000 0.982 219 Y HN 0.429 nan 8.280 nan 0.000 0.515 220 G N 0.359 109.344 108.800 0.308 0.000 2.459 220 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 220 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 220 G C 1.641 176.609 174.900 0.114 0.000 1.183 220 G CA 1.035 46.236 45.100 0.168 0.000 0.776 220 G HN 0.307 nan 8.290 nan 0.000 0.552 221 R N -0.386 120.168 120.500 0.089 0.000 2.105 221 R HA -0.041 4.299 4.340 0.000 0.000 0.239 221 R C 2.471 178.825 176.300 0.090 0.000 1.135 221 R CA 1.150 57.283 56.100 0.055 0.000 0.967 221 R CB -0.601 29.718 30.300 0.032 0.000 0.861 221 R HN 0.396 nan 8.270 nan 0.000 0.442 222 L N 1.226 122.537 121.223 0.146 0.000 1.970 222 L HA -0.168 4.172 4.340 0.000 0.000 0.212 222 L C 2.119 179.108 176.870 0.198 0.000 1.071 222 L CA 1.590 56.533 54.840 0.172 0.000 0.751 222 L CB -0.822 41.371 42.059 0.225 0.000 0.889 222 L HN 0.112 nan 8.230 nan 0.000 0.432 223 L N -0.747 120.632 121.223 0.260 0.000 2.013 223 L HA -0.213 4.127 4.340 0.000 0.000 0.212 223 L C 2.402 179.300 176.870 0.048 0.000 1.073 223 L CA 2.124 57.032 54.840 0.114 0.000 0.753 223 L CB -1.163 40.867 42.059 -0.049 0.000 0.890 223 L HN 0.443 nan 8.230 nan 0.000 0.432 224 L N 0.347 121.593 121.223 0.039 0.000 1.970 224 L HA -0.244 4.096 4.340 0.000 0.000 0.212 224 L C 2.933 179.834 176.870 0.052 0.000 1.071 224 L CA 2.571 57.422 54.840 0.017 0.000 0.751 224 L CB -0.850 41.182 42.059 -0.045 0.000 0.889 224 L HN 0.561 nan 8.230 nan 0.000 0.432 225 R N -1.290 119.248 120.500 0.064 0.000 2.096 225 R HA -0.140 4.200 4.340 0.000 0.000 0.235 225 R C 1.877 178.103 176.300 -0.122 0.000 1.127 225 R CA 1.521 57.666 56.100 0.076 0.000 0.968 225 R CB -0.785 29.600 30.300 0.141 0.000 0.861 225 R HN 0.348 nan 8.270 nan 0.000 0.440 226 E N 0.644 120.797 120.200 -0.079 0.000 2.072 226 E HA -0.070 4.280 4.350 0.000 0.000 0.190 226 E C 2.028 178.530 176.600 -0.163 0.000 0.982 226 E CA 1.730 58.039 56.400 -0.151 0.000 0.803 226 E CB -0.325 29.332 29.700 -0.072 0.000 0.755 226 E HN 0.425 nan 8.360 nan 0.000 0.453 227 T N 1.320 115.846 114.554 -0.045 0.000 2.668 227 T HA -0.111 4.240 4.350 0.000 0.000 0.262 227 T C 1.968 176.733 174.700 0.109 0.000 1.045 227 T CA 1.710 63.855 62.100 0.075 0.000 1.152 227 T CB -0.335 68.608 68.868 0.124 0.000 0.864 227 T HN 0.264 nan 8.240 nan 0.000 0.419 228 A N 1.558 124.445 122.820 0.111 0.000 1.940 228 A HA -0.166 4.154 4.320 0.000 0.000 0.219 228 A C 2.231 179.769 177.584 -0.076 0.000 1.176 228 A CA 2.025 54.212 52.037 0.250 0.000 0.631 228 A CB -0.599 18.637 19.000 0.394 0.000 0.814 228 A HN 0.475 nan 8.150 nan 0.000 0.446 229 K N -0.232 119.741 120.400 -0.712 0.000 2.032 229 K HA -0.218 4.102 4.320 0.000 0.000 0.209 229 K C 2.218 178.599 176.600 -0.366 0.000 1.048 229 K CA 1.944 57.548 56.287 -1.138 0.000 0.927 229 K CB -0.204 31.597 32.500 -1.165 0.000 0.712 229 K HN 0.467 nan 8.250 nan 0.000 0.441 230 K N 0.768 121.029 120.400 -0.232 0.000 2.002 230 K HA -0.125 4.195 4.320 0.000 0.000 0.209 230 K C 2.205 178.834 176.600 0.049 0.000 1.048 230 K CA 1.376 57.582 56.287 -0.135 0.000 0.930 230 K CB -0.161 32.156 32.500 -0.306 0.000 0.714 230 K HN 0.121 nan 8.250 nan 0.000 0.438 231 L N 0.532 121.872 121.223 0.195 0.000 2.051 231 L HA -0.272 4.068 4.340 0.000 0.000 0.214 231 L C 2.636 179.579 176.870 0.122 0.000 1.076 231 L CA 1.498 56.472 54.840 0.224 0.000 0.758 231 L CB -0.689 41.534 42.059 0.273 0.000 0.890 231 L HN 0.382 nan 8.230 nan 0.000 0.433 232 A N -0.186 122.736 122.820 0.169 0.000 1.858 232 A HA -0.214 4.106 4.320 0.000 0.000 0.216 232 A C 2.296 179.938 177.584 0.098 0.000 1.190 232 A CA 1.470 53.605 52.037 0.163 0.000 0.617 232 A CB -0.786 18.474 19.000 0.433 0.000 0.827 232 A HN 0.366 nan 8.150 nan 0.000 0.443 233 L N 0.179 121.447 121.223 0.076 0.000 2.013 233 L HA -0.180 4.160 4.340 0.000 0.000 0.212 233 L C 2.140 179.028 176.870 0.031 0.000 1.073 233 L CA 2.088 56.952 54.840 0.040 0.000 0.753 233 L CB -0.380 41.672 42.059 -0.011 0.000 0.890 233 L HN 0.690 nan 8.230 nan 0.000 0.432 234 I N -2.894 117.700 120.570 0.039 0.000 3.684 234 I HA 0.213 4.383 4.170 0.000 0.000 0.308 234 I C 1.201 177.339 176.117 0.036 0.000 1.263 234 I CA 0.538 61.865 61.300 0.044 0.000 1.174 234 I CB -0.957 37.090 38.000 0.079 0.000 1.021 234 I HN 0.334 nan 8.210 nan 0.000 0.451 235 G N 2.408 111.220 108.800 0.021 0.000 2.168 235 G HA2 -0.309 3.651 3.960 0.000 0.000 0.257 235 G HA3 -0.309 3.651 3.960 0.000 0.000 0.257 235 G C 0.406 175.288 174.900 -0.030 0.000 0.997 235 G CA 0.654 45.751 45.100 -0.005 0.000 0.708 235 G HN 0.775 nan 8.290 nan 0.000 0.520 236 T N -1.910 112.625 114.554 -0.031 0.000 3.514 236 T HA 0.585 4.935 4.350 0.000 0.000 0.259 236 T C -1.888 172.718 174.700 -0.157 0.000 1.466 236 T CA -0.995 61.067 62.100 -0.063 0.000 1.562 236 T CB 1.956 70.826 68.868 0.003 0.000 0.924 236 T HN 0.162 nan 8.240 nan 0.000 0.678 237 P HA 0.126 nan 4.420 nan 0.000 0.235 237 P C 0.002 176.762 177.300 -0.899 0.000 1.720 237 P CA 0.178 62.713 63.100 -0.942 0.000 1.003 237 P CB -0.334 30.719 31.700 -1.078 0.000 1.968 238 S N 1.576 117.067 115.700 -0.348 0.000 2.499 238 S HA 0.314 4.784 4.470 0.000 0.000 0.279 238 S C 1.387 176.063 174.600 0.127 0.000 1.219 238 S CA -0.693 57.439 58.200 -0.114 0.000 1.062 238 S CB 0.462 63.646 63.200 -0.028 0.000 0.978 238 S HN -0.030 nan 8.310 nan 0.000 0.489 239 M N 3.970 123.691 119.600 0.202 0.000 2.236 239 M HA 0.065 4.545 4.480 0.000 0.000 0.266 239 M C 2.089 178.563 176.300 0.290 0.000 1.070 239 M CA 1.219 56.736 55.300 0.363 0.000 1.137 239 M CB -1.151 31.642 32.600 0.321 0.000 1.378 239 M HN 0.769 nan 8.290 nan 0.000 0.426 240 R N 0.266 120.866 120.500 0.166 0.000 2.081 240 R HA -0.130 4.211 4.340 0.000 0.000 0.235 240 R C 2.079 178.484 176.300 0.175 0.000 1.131 240 R CA 1.165 57.335 56.100 0.117 0.000 0.960 240 R CB 0.148 30.458 30.300 0.016 0.000 0.856 240 R HN 0.287 nan 8.270 nan 0.000 0.436 241 E N 0.626 120.917 120.200 0.152 0.000 2.017 241 E HA -0.234 4.116 4.350 0.000 0.000 0.193 241 E C 1.996 178.796 176.600 0.334 0.000 0.997 241 E CA 1.117 57.620 56.400 0.171 0.000 0.804 241 E CB -0.452 29.348 29.700 0.166 0.000 0.757 241 E HN 0.200 nan 8.360 nan 0.000 0.448 242 L N 0.748 122.198 121.223 0.377 0.000 1.997 242 L HA -0.227 4.113 4.340 0.000 0.000 0.216 242 L C 2.386 179.459 176.870 0.340 0.000 1.074 242 L CA 1.764 56.842 54.840 0.396 0.000 0.763 242 L CB -0.808 41.517 42.059 0.443 0.000 0.890 242 L HN 0.085 nan 8.230 nan 0.000 0.434 243 F N -0.333 119.730 119.950 0.189 0.000 2.095 243 F HA -0.278 4.249 4.527 0.000 0.000 0.298 243 F C 2.565 178.415 175.800 0.083 0.000 1.104 243 F CA 2.144 60.218 58.000 0.124 0.000 1.232 243 F CB -0.708 38.360 39.000 0.114 0.000 0.987 243 F HN 0.470 nan 8.300 nan 0.000 0.475 244 H N -1.103 118.161 119.070 0.323 0.000 2.254 244 H HA -0.279 4.277 4.556 0.000 0.000 0.294 244 H C 2.211 177.497 175.328 -0.070 0.000 1.071 244 H CA 2.743 58.832 56.048 0.067 0.000 1.228 244 H CB -1.228 28.418 29.762 -0.194 0.000 1.358 244 H HN 0.419 nan 8.280 nan 0.000 0.495 245 W N 0.330 121.540 121.300 -0.149 0.000 2.290 245 W HA -0.305 4.355 4.660 0.000 0.000 0.328 245 W C 3.026 179.379 176.519 -0.277 0.000 1.272 245 W CA 2.278 59.459 57.345 -0.273 0.000 1.262 245 W CB -0.857 28.460 29.460 -0.239 0.000 1.151 245 W HN 0.485 nan 8.180 nan 0.000 0.473 246 T N -3.900 110.678 114.554 0.041 0.000 3.007 246 T HA -0.103 4.247 4.350 0.000 0.000 0.270 246 T C 1.246 175.778 174.700 -0.280 0.000 1.107 246 T CA 1.637 63.659 62.100 -0.131 0.000 1.118 246 T CB -0.538 68.255 68.868 -0.126 0.000 0.889 246 T HN 0.258 nan 8.240 nan 0.000 0.506 247 T N -2.467 111.867 114.554 -0.366 0.000 3.046 247 T HA 0.415 4.765 4.350 0.000 0.000 0.270 247 T C 1.295 175.834 174.700 -0.269 0.000 0.920 247 T CA -0.435 61.425 62.100 -0.400 0.000 0.874 247 T CB 0.177 68.646 68.868 -0.666 0.000 1.214 247 T HN 0.230 nan 8.240 nan 0.000 0.536 248 I N 1.853 122.259 120.570 -0.273 0.000 3.366 248 I HA 0.495 4.665 4.170 0.000 0.000 0.267 248 I C 1.709 177.612 176.117 -0.357 0.000 1.149 248 I CA -0.127 61.023 61.300 -0.251 0.000 1.436 248 I CB -1.421 36.460 38.000 -0.198 0.000 1.379 248 I HN 0.324 nan 8.210 nan 0.000 0.460 249 A N 2.244 124.707 122.820 -0.596 0.000 2.586 249 A HA 0.180 4.500 4.320 0.000 0.000 0.231 249 A C 0.918 178.418 177.584 -0.141 0.000 1.055 249 A CA 0.645 52.427 52.037 -0.426 0.000 0.756 249 A CB -0.512 18.321 19.000 -0.278 0.000 0.988 249 A HN 0.550 nan 8.150 nan 0.000 0.509 250 T N -0.417 114.109 114.554 -0.046 0.000 2.860 250 T HA 0.308 4.658 4.350 0.000 0.000 0.299 250 T C 0.877 175.646 174.700 0.116 0.000 1.045 250 T CA 0.122 62.249 62.100 0.046 0.000 1.071 250 T CB 0.151 69.053 68.868 0.056 0.000 0.985 250 T HN 0.412 nan 8.240 nan 0.000 0.537 251 F N 1.645 121.565 119.950 -0.050 0.000 2.063 251 F HA -0.160 4.367 4.527 0.000 0.000 0.298 251 F C 2.063 177.862 175.800 -0.001 0.000 1.105 251 F CA 2.505 60.477 58.000 -0.047 0.000 1.215 251 F CB -0.664 38.302 39.000 -0.056 0.000 0.972 251 F HN 0.670 nan 8.300 nan 0.000 0.483 252 D N -0.015 120.512 120.400 0.211 0.000 2.087 252 D HA -0.191 4.449 4.640 0.000 0.000 0.192 252 D C 2.011 178.389 176.300 0.130 0.000 0.993 252 D CA 1.722 55.805 54.000 0.139 0.000 0.828 252 D CB -0.808 40.060 40.800 0.115 0.000 0.968 252 D HN 0.272 nan 8.370 nan 0.000 0.448 253 D N 0.449 120.946 120.400 0.162 0.000 2.116 253 D HA -0.154 4.486 4.640 0.000 0.000 0.193 253 D C 2.310 178.830 176.300 0.367 0.000 0.998 253 D CA 0.445 54.606 54.000 0.268 0.000 0.836 253 D CB -0.441 40.516 40.800 0.262 0.000 0.951 253 D HN 0.170 nan 8.370 nan 0.000 0.449 254 L N 0.863 122.265 121.223 0.299 0.000 1.970 254 L HA -0.224 4.116 4.340 0.000 0.000 0.212 254 L C 2.705 179.590 176.870 0.025 0.000 1.071 254 L CA 1.385 56.342 54.840 0.195 0.000 0.751 254 L CB -0.088 41.972 42.059 0.003 0.000 0.889 254 L HN -0.041 nan 8.230 nan 0.000 0.432 255 R N -0.159 120.327 120.500 -0.023 0.000 2.134 255 R HA -0.217 4.123 4.340 0.000 0.000 0.248 255 R C 2.054 178.348 176.300 -0.010 0.000 1.143 255 R CA 1.673 57.753 56.100 -0.034 0.000 0.957 255 R CB -1.340 28.964 30.300 0.007 0.000 0.867 255 R HN 0.617 nan 8.270 nan 0.000 0.441 256 G N 0.370 109.195 108.800 0.043 0.000 2.480 256 G HA2 -0.307 3.653 3.960 0.000 0.000 0.216 256 G HA3 -0.307 3.653 3.960 0.000 0.000 0.216 256 G C 1.336 176.221 174.900 -0.026 0.000 1.200 256 G CA 0.632 45.755 45.100 0.037 0.000 0.782 256 G HN 0.318 nan 8.290 nan 0.000 0.554 257 F N 1.316 121.127 119.950 -0.231 0.000 2.147 257 F HA -0.078 4.449 4.527 0.000 0.000 0.301 257 F C 2.316 177.899 175.800 -0.362 0.000 1.084 257 F CA 1.230 58.947 58.000 -0.472 0.000 1.268 257 F CB -0.171 38.088 39.000 -1.234 0.000 1.009 257 F HN 0.049 nan 8.300 nan 0.000 0.486 258 L N -0.121 120.900 121.223 -0.337 0.000 2.465 258 L HA -0.055 4.285 4.340 0.000 0.000 0.224 258 L C 0.687 177.396 176.870 -0.270 0.000 1.145 258 L CA 0.206 54.844 54.840 -0.335 0.000 0.834 258 L CB -0.705 41.264 42.059 -0.150 0.000 0.944 258 L HN 0.035 nan 8.230 nan 0.000 0.451 259 E N 0.072 120.141 120.200 -0.219 0.000 2.465 259 E HA 0.103 4.453 4.350 0.000 0.000 0.260 259 E C 1.122 177.604 176.600 -0.197 0.000 0.980 259 E CA 0.676 56.983 56.400 -0.155 0.000 0.927 259 E CB 0.375 30.010 29.700 -0.108 0.000 0.934 259 E HN 0.320 nan 8.360 nan 0.000 0.459 260 G N 2.786 111.498 108.800 -0.147 0.000 2.258 260 G HA2 -0.299 3.661 3.960 0.000 0.000 0.233 260 G HA3 -0.299 3.661 3.960 0.000 0.000 0.233 260 G C 0.491 175.297 174.900 -0.158 0.000 1.006 260 G CA 0.266 45.279 45.100 -0.146 0.000 0.620 260 G HN 0.681 nan 8.290 nan 0.000 0.511 261 T N -0.537 113.903 114.554 -0.190 0.000 2.918 261 T HA 0.692 5.042 4.350 0.000 0.000 0.283 261 T C 1.729 176.362 174.700 -0.112 0.000 1.001 261 T CA -0.134 61.861 62.100 -0.175 0.000 1.041 261 T CB 1.730 70.463 68.868 -0.224 0.000 1.028 261 T HN 0.283 nan 8.240 nan 0.000 0.511 262 L N 0.967 122.134 121.223 -0.093 0.000 2.137 262 L HA -0.138 4.202 4.340 0.000 0.000 0.213 262 L C 2.956 179.796 176.870 -0.050 0.000 1.085 262 L CA 1.710 56.512 54.840 -0.063 0.000 0.760 262 L CB -0.842 41.184 42.059 -0.054 0.000 0.893 262 L HN 0.940 nan 8.230 nan 0.000 0.434 263 A N -0.795 122.007 122.820 -0.031 0.000 2.167 263 A HA -0.156 4.164 4.320 0.000 0.000 0.214 263 A C 2.136 179.751 177.584 0.052 0.000 1.151 263 A CA 0.935 52.994 52.037 0.038 0.000 0.735 263 A CB -0.360 18.734 19.000 0.157 0.000 0.802 263 A HN 0.489 nan 8.150 nan 0.000 0.467 264 E N 0.295 120.485 120.200 -0.017 0.000 2.045 264 E HA -0.243 4.107 4.350 0.000 0.000 0.212 264 E C 2.055 178.660 176.600 0.009 0.000 1.039 264 E CA 2.046 58.433 56.400 -0.021 0.000 0.860 264 E CB -0.197 29.470 29.700 -0.056 0.000 0.776 264 E HN 0.525 nan 8.360 nan 0.000 0.467 265 S N 0.230 115.923 115.700 -0.012 0.000 2.345 265 S HA -0.073 4.397 4.470 0.000 0.000 0.219 265 S C 2.046 176.635 174.600 -0.018 0.000 1.031 265 S CA 1.002 59.197 58.200 -0.010 0.000 0.984 265 S CB -0.336 62.850 63.200 -0.022 0.000 0.874 265 S HN 0.271 nan 8.310 nan 0.000 0.451 266 L N -0.038 121.139 121.223 -0.076 0.000 2.171 266 L HA -0.196 4.145 4.340 0.000 0.000 0.216 266 L C 1.377 178.106 176.870 -0.236 0.000 1.084 266 L CA 1.478 56.205 54.840 -0.188 0.000 0.771 266 L CB -0.628 41.240 42.059 -0.317 0.000 0.890 266 L HN 0.281 nan 8.230 nan 0.000 0.437 267 F N -0.433 119.498 119.950 -0.031 0.000 2.660 267 F HA 0.429 4.957 4.527 0.000 0.000 0.297 267 F C 0.795 176.577 175.800 -0.029 0.000 1.132 267 F CA -0.335 57.635 58.000 -0.050 0.000 1.372 267 F CB 0.228 39.174 39.000 -0.090 0.000 1.003 267 F HN -0.016 nan 8.300 nan 0.000 0.524 268 A N -1.030 121.866 122.820 0.127 0.000 2.587 268 A HA 0.713 5.033 4.320 0.000 0.000 0.293 268 A C 0.553 178.171 177.584 0.057 0.000 1.087 268 A CA 0.039 52.136 52.037 0.100 0.000 0.692 268 A CB 1.128 20.178 19.000 0.084 0.000 1.291 268 A HN 0.384 nan 8.150 nan 0.000 0.407 269 G N -0.484 108.349 108.800 0.053 0.000 2.545 269 G HA2 0.258 4.218 3.960 0.000 0.000 0.195 269 G HA3 0.258 4.218 3.960 0.000 0.000 0.195 269 G C 0.441 175.359 174.900 0.030 0.000 1.009 269 G CA 0.762 45.882 45.100 0.033 0.000 0.703 269 G HN 2.460 nan 8.290 nan 0.000 0.479 270 S N -0.983 114.739 115.700 0.036 0.000 2.688 270 S HA 0.587 5.058 4.470 0.000 0.000 0.275 270 S C 0.574 175.195 174.600 0.036 0.000 1.175 270 S CA 0.182 58.399 58.200 0.029 0.000 0.818 270 S CB 0.972 64.185 63.200 0.022 0.000 1.157 270 S HN 0.035 nan 8.310 nan 0.000 0.482 271 N N 0.668 119.384 118.700 0.027 0.000 2.188 271 N HA -0.100 4.640 4.740 0.000 0.000 0.184 271 N C 1.422 176.951 175.510 0.032 0.000 1.018 271 N CA 1.424 54.489 53.050 0.025 0.000 0.858 271 N CB -0.418 38.078 38.487 0.014 0.000 0.989 271 N HN 0.739 nan 8.380 nan 0.000 0.426 272 E N 1.818 122.035 120.200 0.029 0.000 2.038 272 E HA -0.113 4.237 4.350 0.000 0.000 0.195 272 E C 1.901 178.511 176.600 0.015 0.000 1.000 272 E CA 1.601 58.016 56.400 0.024 0.000 0.803 272 E CB -0.472 29.243 29.700 0.025 0.000 0.750 272 E HN 0.277 nan 8.360 nan 0.000 0.448 273 A N 0.001 122.838 122.820 0.029 0.000 1.884 273 A HA -0.279 4.041 4.320 0.000 0.000 0.219 273 A C 2.490 180.157 177.584 0.137 0.000 1.197 273 A CA 2.553 54.625 52.037 0.057 0.000 0.637 273 A CB -1.091 17.948 19.000 0.065 0.000 0.827 273 A HN 0.339 nan 8.150 nan 0.000 0.450 274 S N -0.637 115.149 115.700 0.143 0.000 2.356 274 S HA -0.183 4.287 4.470 0.000 0.000 0.223 274 S C 2.011 176.724 174.600 0.187 0.000 1.032 274 S CA 1.573 59.913 58.200 0.234 0.000 1.005 274 S CB -0.312 62.981 63.200 0.154 0.000 0.867 274 S HN 0.687 nan 8.310 nan 0.000 0.449 275 K N 1.496 121.944 120.400 0.082 0.000 2.074 275 K HA -0.159 4.161 4.320 0.000 0.000 0.209 275 K C 2.221 178.811 176.600 -0.015 0.000 1.048 275 K CA 1.357 57.667 56.287 0.039 0.000 0.926 275 K CB -0.400 32.113 32.500 0.022 0.000 0.713 275 K HN 0.303 nan 8.250 nan 0.000 0.444 276 A N 1.781 124.539 122.820 -0.103 0.000 1.883 276 A HA -0.182 4.138 4.320 0.000 0.000 0.217 276 A C 2.182 179.729 177.584 -0.061 0.000 1.186 276 A CA 1.443 53.243 52.037 -0.395 0.000 0.624 276 A CB -0.707 17.946 19.000 -0.578 0.000 0.822 276 A HN 0.441 nan 8.150 nan 0.000 0.444 277 L N -0.562 120.698 121.223 0.061 0.000 2.017 277 L HA -0.183 4.157 4.340 0.000 0.000 0.208 277 L C 2.700 179.447 176.870 -0.205 0.000 1.073 277 L CA 2.258 56.890 54.840 -0.348 0.000 0.745 277 L CB -0.736 41.006 42.059 -0.528 0.000 0.894 277 L HN 0.433 nan 8.230 nan 0.000 0.432 278 T N -0.625 113.955 114.554 0.042 0.000 2.699 278 T HA -0.205 4.145 4.350 0.000 0.000 0.268 278 T C 2.014 176.730 174.700 0.028 0.000 1.036 278 T CA 1.728 63.863 62.100 0.059 0.000 1.147 278 T CB -0.212 68.734 68.868 0.130 0.000 0.862 278 T HN 0.382 nan 8.240 nan 0.000 0.446 279 S N 1.344 117.070 115.700 0.044 0.000 2.351 279 S HA -0.125 4.345 4.470 0.000 0.000 0.220 279 S C 2.616 177.295 174.600 0.132 0.000 1.035 279 S CA 1.169 59.397 58.200 0.046 0.000 1.031 279 S CB -0.791 62.453 63.200 0.073 0.000 0.928 279 S HN 0.625 nan 8.310 nan 0.000 0.433 280 A N 2.393 125.292 122.820 0.132 0.000 1.892 280 A HA -0.200 4.120 4.320 0.000 0.000 0.218 280 A C 2.176 179.741 177.584 -0.032 0.000 1.188 280 A CA 1.464 53.562 52.037 0.102 0.000 0.631 280 A CB -0.567 18.461 19.000 0.048 0.000 0.822 280 A HN 0.334 nan 8.150 nan 0.000 0.447 281 R N -1.347 119.059 120.500 -0.155 0.000 2.097 281 R HA -0.163 4.177 4.340 0.000 0.000 0.236 281 R C 1.994 178.184 176.300 -0.184 0.000 1.135 281 R CA 1.757 57.709 56.100 -0.246 0.000 0.934 281 R CB -1.182 28.900 30.300 -0.363 0.000 0.846 281 R HN 0.628 nan 8.270 nan 0.000 0.431 282 F N 0.905 120.794 119.950 -0.102 0.000 2.063 282 F HA -0.307 4.220 4.527 0.000 0.000 0.298 282 F C 2.723 178.488 175.800 -0.059 0.000 1.109 282 F CA 1.508 59.452 58.000 -0.094 0.000 1.212 282 F CB -0.646 38.270 39.000 -0.141 0.000 0.973 282 F HN -0.197 nan 8.300 nan 0.000 0.480 283 V N -0.028 119.997 119.914 0.185 0.000 2.214 283 V HA -0.351 3.769 4.120 0.000 0.000 0.247 283 V C 2.263 178.395 176.094 0.064 0.000 1.051 283 V CA 1.751 64.132 62.300 0.135 0.000 1.003 283 V CB -0.853 31.064 31.823 0.157 0.000 0.635 283 V HN 0.208 nan 8.190 nan 0.000 0.447 284 L N 1.138 122.365 121.223 0.006 0.000 2.089 284 L HA -0.198 4.142 4.340 0.000 0.000 0.213 284 L C 2.774 179.599 176.870 -0.075 0.000 1.079 284 L CA 2.511 57.319 54.840 -0.053 0.000 0.758 284 L CB -1.420 40.571 42.059 -0.113 0.000 0.891 284 L HN 0.662 nan 8.230 nan 0.000 0.433 285 S N -1.968 113.671 115.700 -0.100 0.000 2.419 285 S HA -0.165 4.305 4.470 0.000 0.000 0.233 285 S C 1.682 176.318 174.600 0.059 0.000 1.016 285 S CA 1.227 59.369 58.200 -0.096 0.000 0.974 285 S CB -0.308 62.845 63.200 -0.080 0.000 0.786 285 S HN 0.453 nan 8.310 nan 0.000 0.492 286 D N 1.349 121.796 120.400 0.078 0.000 2.149 286 D HA 0.050 4.690 4.640 0.000 0.000 0.206 286 D C 2.028 178.390 176.300 0.103 0.000 0.967 286 D CA 0.896 54.954 54.000 0.098 0.000 0.848 286 D CB 0.014 40.870 40.800 0.093 0.000 0.998 286 D HN 0.330 nan 8.370 nan 0.000 0.474 287 K N 0.907 121.363 120.400 0.094 0.000 2.005 287 K HA 0.058 4.378 4.320 0.000 0.000 0.206 287 K C 2.519 179.252 176.600 0.222 0.000 1.044 287 K CA 0.176 56.534 56.287 0.119 0.000 0.942 287 K CB -0.956 31.587 32.500 0.070 0.000 0.727 287 K HN 0.166 nan 8.250 nan 0.000 0.439 288 L N 1.290 122.631 121.223 0.197 0.000 2.051 288 L HA -0.208 4.132 4.340 0.000 0.000 0.214 288 L C -0.678 176.447 176.870 0.425 0.000 1.076 288 L CA 1.435 56.462 54.840 0.312 0.000 0.758 288 L CB -1.926 40.286 42.059 0.254 0.000 0.890 288 L HN 0.098 nan 8.230 nan 0.000 0.433 289 P HA -0.293 nan 4.420 nan 0.000 0.218 289 P C 1.355 178.774 177.300 0.199 0.000 1.018 289 P CA 1.828 65.119 63.100 0.317 0.000 1.016 289 P CB -0.048 31.796 31.700 0.240 0.000 0.748 290 E N -2.035 118.257 120.200 0.153 0.000 2.160 290 E HA -0.217 4.133 4.350 0.000 0.000 0.195 290 E C 2.071 178.720 176.600 0.083 0.000 0.991 290 E CA 1.165 57.615 56.400 0.084 0.000 0.810 290 E CB -0.961 28.734 29.700 -0.009 0.000 0.742 290 E HN 0.517 nan 8.360 nan 0.000 0.466 291 H N -0.180 118.983 119.070 0.154 0.000 2.421 291 H HA -0.067 4.489 4.556 0.000 0.000 0.298 291 H C 2.174 177.626 175.328 0.207 0.000 1.087 291 H CA 1.253 57.433 56.048 0.219 0.000 1.330 291 H CB 0.177 30.073 29.762 0.223 0.000 1.388 291 H HN 0.015 nan 8.280 nan 0.000 0.526 292 V N 0.619 120.700 119.914 0.279 0.000 2.256 292 V HA -0.181 3.939 4.120 0.000 0.000 0.240 292 V C 2.650 178.791 176.094 0.079 0.000 1.036 292 V CA 2.088 64.483 62.300 0.158 0.000 1.008 292 V CB -0.959 30.879 31.823 0.024 0.000 0.648 292 V HN 0.543 nan 8.190 nan 0.000 0.453 293 T N -2.003 112.570 114.554 0.032 0.000 3.118 293 T HA -0.110 4.240 4.350 0.000 0.000 0.269 293 T C 0.757 175.450 174.700 -0.011 0.000 1.166 293 T CA 0.563 62.656 62.100 -0.012 0.000 1.073 293 T CB -0.505 68.352 68.868 -0.019 0.000 0.884 293 T HN 0.119 nan 8.240 nan 0.000 0.550 294 M N 2.434 122.080 119.600 0.077 0.000 2.200 294 M HA 0.347 4.827 4.480 0.000 0.000 0.355 294 M C -2.413 173.955 176.300 0.113 0.000 1.283 294 M CA -2.513 52.864 55.300 0.129 0.000 1.124 294 M CB 0.875 33.648 32.600 0.289 0.000 1.625 294 M HN -0.041 nan 8.290 nan 0.000 0.463 295 P HA -0.007 nan 4.420 nan 0.000 0.265 295 P C -0.932 176.435 177.300 0.111 0.000 1.187 295 P CA 0.242 63.382 63.100 0.067 0.000 0.766 295 P CB 0.426 32.155 31.700 0.048 0.000 0.820 296 D N 1.262 121.708 120.400 0.075 0.000 2.255 296 D HA 0.529 5.169 4.640 0.000 0.000 0.249 296 D C 0.646 176.996 176.300 0.082 0.000 1.078 296 D CA 0.446 54.492 54.000 0.077 0.000 0.896 296 D CB 1.502 42.324 40.800 0.037 0.000 1.194 296 D HN 0.456 nan 8.370 nan 0.000 0.429 297 G N 0.515 109.376 108.800 0.102 0.000 2.561 297 G HA2 0.286 4.246 3.960 0.000 0.000 0.310 297 G HA3 0.286 4.246 3.960 0.000 0.000 0.310 297 G C -0.951 174.017 174.900 0.114 0.000 1.292 297 G CA -0.618 44.551 45.100 0.114 0.000 0.811 297 G HN 0.403 nan 8.290 nan 0.000 0.482 298 D N -1.243 119.241 120.400 0.141 0.000 2.513 298 D HA 0.193 4.833 4.640 0.000 0.000 0.222 298 D C 0.197 176.598 176.300 0.168 0.000 1.210 298 D CA -0.644 53.419 54.000 0.105 0.000 0.825 298 D CB -0.108 40.724 40.800 0.054 0.000 1.037 298 D HN 0.205 nan 8.370 nan 0.000 0.506 299 F N 2.256 122.290 119.950 0.139 0.000 2.607 299 F HA 0.237 4.764 4.527 0.000 0.000 0.374 299 F C 0.283 176.249 175.800 0.277 0.000 1.104 299 F CA 0.295 58.401 58.000 0.176 0.000 1.296 299 F CB 0.877 39.964 39.000 0.144 0.000 1.085 299 F HN -0.089 nan 8.300 nan 0.000 0.584 300 S N 7.152 122.470 115.700 -0.637 0.000 2.707 300 S HA 0.383 4.853 4.470 0.000 0.000 0.312 300 S C 0.984 175.262 174.600 -0.537 0.000 1.116 300 S CA -0.884 57.128 58.200 -0.313 0.000 1.078 300 S CB 0.403 63.508 63.200 -0.159 0.000 0.997 300 S HN 0.718 nan 8.310 nan 0.000 0.477 301 I N 4.431 124.931 120.570 -0.117 0.000 2.335 301 I HA -0.218 3.952 4.170 0.000 0.000 0.251 301 I C 2.671 178.892 176.117 0.175 0.000 1.129 301 I CA 1.098 62.462 61.300 0.108 0.000 1.402 301 I CB -0.211 37.911 38.000 0.203 0.000 1.069 301 I HN 0.654 nan 8.210 nan 0.000 0.424 302 R N 0.569 121.127 120.500 0.097 0.000 2.075 302 R HA -0.128 4.212 4.340 0.000 0.000 0.230 302 R C 2.566 178.895 176.300 0.048 0.000 1.140 302 R CA 1.958 58.114 56.100 0.093 0.000 0.928 302 R CB -0.585 29.751 30.300 0.059 0.000 0.834 302 R HN 0.261 nan 8.270 nan 0.000 0.429 303 S N 0.461 116.149 115.700 -0.019 0.000 2.365 303 S HA -0.233 4.237 4.470 0.000 0.000 0.225 303 S C 1.402 176.000 174.600 -0.005 0.000 1.039 303 S CA 1.529 59.709 58.200 -0.033 0.000 1.033 303 S CB -0.514 62.643 63.200 -0.073 0.000 0.887 303 S HN 0.469 nan 8.310 nan 0.000 0.447 304 W N 2.432 123.612 121.300 -0.200 0.000 2.318 304 W HA -0.171 4.489 4.660 0.000 0.000 0.313 304 W C 1.737 178.254 176.519 -0.003 0.000 1.221 304 W CA 1.301 58.589 57.345 -0.095 0.000 1.266 304 W CB -0.689 28.734 29.460 -0.061 0.000 1.150 304 W HN 0.215 nan 8.180 nan 0.000 0.496 305 L N 0.196 121.397 121.223 -0.037 0.000 2.079 305 L HA -0.223 4.117 4.340 0.000 0.000 0.210 305 L C 2.330 179.075 176.870 -0.208 0.000 1.081 305 L CA 1.879 56.595 54.840 -0.208 0.000 0.752 305 L CB -0.843 41.234 42.059 0.030 0.000 0.896 305 L HN 0.075 nan 8.230 nan 0.000 0.433 306 E N -0.780 119.350 120.200 -0.115 0.000 2.216 306 E HA -0.129 4.221 4.350 0.000 0.000 0.192 306 E C 0.483 177.016 176.600 -0.111 0.000 0.988 306 E CA 0.161 56.508 56.400 -0.090 0.000 0.834 306 E CB 0.044 29.718 29.700 -0.043 0.000 0.772 306 E HN 0.263 nan 8.360 nan 0.000 0.479 307 D N 0.653 120.966 120.400 -0.145 0.000 2.325 307 D HA 0.032 4.672 4.640 0.000 0.000 0.251 307 D C -1.893 174.303 176.300 -0.173 0.000 1.196 307 D CA -2.356 51.571 54.000 -0.123 0.000 0.866 307 D CB 1.395 42.148 40.800 -0.077 0.000 1.101 307 D HN -0.216 nan 8.370 nan 0.000 0.476 308 P HA -0.095 nan 4.420 nan 0.000 0.214 308 P C 0.608 177.857 177.300 -0.085 0.000 1.163 308 P CA 0.981 64.019 63.100 -0.103 0.000 0.883 308 P CB 0.184 31.849 31.700 -0.059 0.000 0.788 309 N N -0.552 118.123 118.700 -0.042 0.000 2.575 309 N HA -0.024 4.716 4.740 0.000 0.000 0.192 309 N C 1.781 177.302 175.510 0.019 0.000 1.200 309 N CA 0.856 53.905 53.050 -0.002 0.000 0.897 309 N CB -0.574 37.925 38.487 0.019 0.000 0.990 309 N HN 0.204 nan 8.380 nan 0.000 0.449 310 G N 0.940 109.710 108.800 -0.051 0.000 2.475 310 G HA2 -0.019 3.941 3.960 0.000 0.000 0.220 310 G HA3 -0.019 3.941 3.960 0.000 0.000 0.220 310 G C 0.947 175.985 174.900 0.230 0.000 1.125 310 G CA 1.004 46.096 45.100 -0.014 0.000 0.755 310 G HN 0.605 nan 8.290 nan 0.000 0.565 311 G N -0.628 108.265 108.800 0.155 0.000 2.512 311 G HA2 -0.136 3.824 3.960 0.000 0.000 0.210 311 G HA3 -0.136 3.824 3.960 0.000 0.000 0.210 311 G C -0.635 174.541 174.900 0.459 0.000 1.295 311 G CA -0.088 45.190 45.100 0.296 0.000 0.934 311 G HN 0.595 nan 8.290 nan 0.000 0.554 312 N N -0.665 118.346 118.700 0.518 0.000 2.457 312 N HA 0.725 5.465 4.740 0.000 0.000 0.290 312 N C -0.847 174.920 175.510 0.428 0.000 1.232 312 N CA -0.553 52.827 53.050 0.550 0.000 0.852 312 N CB 2.028 40.657 38.487 0.238 0.000 1.313 312 N HN 0.669 nan 8.380 nan 0.000 0.522 313 L N 1.253 122.545 121.223 0.115 0.000 2.356 313 L HA 0.519 4.859 4.340 0.000 0.000 0.277 313 L C -1.505 175.234 176.870 -0.219 0.000 0.996 313 L CA -0.651 54.022 54.840 -0.279 0.000 0.822 313 L CB 0.743 42.267 42.059 -0.891 0.000 1.256 313 L HN 0.376 nan 8.230 nan 0.000 0.413 314 F N 5.378 125.229 119.950 -0.165 0.000 2.426 314 F HA 0.452 4.979 4.527 0.000 0.000 0.348 314 F C 0.230 175.975 175.800 -0.092 0.000 1.124 314 F CA -0.469 57.488 58.000 -0.073 0.000 1.008 314 F CB 1.512 40.487 39.000 -0.043 0.000 1.139 314 F HN 0.205 nan 8.300 nan 0.000 0.452 315 I N 3.815 124.487 120.570 0.170 0.000 2.307 315 I HA 0.231 4.401 4.170 0.000 0.000 0.287 315 I C 0.226 176.609 176.117 0.444 0.000 1.054 315 I CA -0.256 61.178 61.300 0.224 0.000 1.218 315 I CB 0.634 38.806 38.000 0.288 0.000 1.398 315 I HN 0.621 nan 8.210 nan 0.000 0.475 316 T N 2.506 117.284 114.554 0.374 0.000 2.950 316 T HA 0.777 5.127 4.350 0.000 0.000 0.288 316 T C -1.015 173.977 174.700 0.485 0.000 1.035 316 T CA -0.587 61.694 62.100 0.301 0.000 1.028 316 T CB 2.069 70.997 68.868 0.101 0.000 1.109 316 T HN 0.647 nan 8.240 nan 0.000 0.514 317 W N -0.470 120.857 121.300 0.044 0.000 3.319 317 W HA 0.609 5.269 4.660 0.000 0.000 0.300 317 W C -1.701 174.742 176.519 -0.127 0.000 1.244 317 W CA -1.185 56.148 57.345 -0.020 0.000 1.193 317 W CB 0.866 30.339 29.460 0.022 0.000 1.359 317 W HN 0.747 nan 8.180 nan 0.000 0.568 318 R N 2.236 122.660 120.500 -0.127 0.000 2.297 318 R HA 0.144 4.484 4.340 0.000 0.000 0.308 318 R C 0.995 177.276 176.300 -0.030 0.000 1.029 318 R CA -0.487 55.460 56.100 -0.256 0.000 0.929 318 R CB 1.491 31.554 30.300 -0.394 0.000 1.046 318 R HN 0.792 nan 8.270 nan 0.000 0.461 319 E N 1.534 121.685 120.200 -0.081 0.000 2.169 319 E HA -0.288 4.062 4.350 0.000 0.000 0.202 319 E C 1.084 177.728 176.600 0.074 0.000 1.016 319 E CA 2.080 58.518 56.400 0.062 0.000 0.817 319 E CB 0.094 29.789 29.700 -0.008 0.000 0.736 319 E HN 0.635 nan 8.360 nan 0.000 0.462 320 D N -0.349 120.049 120.400 -0.002 0.000 2.309 320 D HA -0.181 4.459 4.640 0.000 0.000 0.212 320 D C 1.435 177.727 176.300 -0.012 0.000 0.968 320 D CA 1.033 55.026 54.000 -0.012 0.000 0.882 320 D CB -0.162 40.614 40.800 -0.041 0.000 0.918 320 D HN 0.276 nan 8.370 nan 0.000 0.503 321 M N -0.311 119.291 119.600 0.003 0.000 2.356 321 M HA 0.305 4.785 4.480 0.000 0.000 0.262 321 M C 1.877 178.181 176.300 0.005 0.000 1.097 321 M CA 0.132 55.413 55.300 -0.032 0.000 0.991 321 M CB 1.131 33.653 32.600 -0.130 0.000 1.450 321 M HN 0.088 nan 8.290 nan 0.000 0.495 322 G N 2.944 111.801 108.800 0.095 0.000 2.513 322 G HA2 -0.210 3.750 3.960 0.000 0.000 0.219 322 G HA3 -0.210 3.750 3.960 0.000 0.000 0.219 322 G C -0.533 174.301 174.900 -0.109 0.000 1.160 322 G CA 0.852 45.950 45.100 -0.004 0.000 0.767 322 G HN 0.339 nan 8.290 nan 0.000 0.571 323 P HA -0.032 nan 4.420 nan 0.000 0.218 323 P C 1.900 179.160 177.300 -0.067 0.000 1.149 323 P CA 1.859 64.927 63.100 -0.053 0.000 0.817 323 P CB -0.121 31.567 31.700 -0.021 0.000 0.785 324 A N -0.125 122.657 122.820 -0.063 0.000 1.968 324 A HA -0.017 4.303 4.320 0.000 0.000 0.217 324 A C 2.272 179.807 177.584 -0.082 0.000 1.169 324 A CA 0.996 53.002 52.037 -0.051 0.000 0.638 324 A CB -1.211 17.765 19.000 -0.039 0.000 0.812 324 A HN 0.173 nan 8.150 nan 0.000 0.446 325 L N -1.706 119.428 121.223 -0.148 0.000 2.585 325 L HA 0.147 4.487 4.340 0.000 0.000 0.226 325 L C 2.271 178.956 176.870 -0.308 0.000 1.113 325 L CA 0.234 54.942 54.840 -0.221 0.000 0.876 325 L CB -0.285 41.633 42.059 -0.234 0.000 1.072 325 L HN 0.394 nan 8.230 nan 0.000 0.468 326 R N 1.687 122.024 120.500 -0.271 0.000 2.133 326 R HA -0.194 4.146 4.340 0.000 0.000 0.245 326 R C -0.473 175.699 176.300 -0.213 0.000 1.137 326 R CA 2.367 58.315 56.100 -0.254 0.000 0.947 326 R CB -1.078 29.124 30.300 -0.164 0.000 0.865 326 R HN 0.229 nan 8.270 nan 0.000 0.437 327 P HA -0.174 nan 4.420 nan 0.000 0.219 327 P C 1.482 178.673 177.300 -0.181 0.000 1.150 327 P CA 1.202 64.236 63.100 -0.110 0.000 0.814 327 P CB -0.094 31.586 31.700 -0.033 0.000 0.787 328 L N -0.587 120.418 121.223 -0.364 0.000 2.023 328 L HA -0.073 4.267 4.340 0.000 0.000 0.205 328 L C 2.692 179.035 176.870 -0.879 0.000 1.073 328 L CA 1.269 55.668 54.840 -0.734 0.000 0.745 328 L CB -0.601 40.905 42.059 -0.923 0.000 0.900 328 L HN -0.178 nan 8.230 nan 0.000 0.435 329 I N -0.580 119.601 120.570 -0.649 0.000 2.127 329 I HA -0.344 3.827 4.170 0.000 0.000 0.241 329 I C 2.582 178.601 176.117 -0.164 0.000 1.075 329 I CA 1.475 62.562 61.300 -0.356 0.000 1.334 329 I CB -0.420 37.368 38.000 -0.353 0.000 1.040 329 I HN 0.216 nan 8.210 nan 0.000 0.405 330 S N 0.717 116.318 115.700 -0.165 0.000 2.387 330 S HA -0.239 4.231 4.470 0.000 0.000 0.230 330 S C 2.220 176.819 174.600 -0.002 0.000 1.035 330 S CA 1.459 59.627 58.200 -0.054 0.000 1.014 330 S CB -0.440 62.725 63.200 -0.059 0.000 0.836 330 S HN 0.579 nan 8.310 nan 0.000 0.466 331 A N 1.328 124.113 122.820 -0.059 0.000 1.858 331 A HA -0.110 4.210 4.320 0.000 0.000 0.216 331 A C 1.902 179.571 177.584 0.141 0.000 1.190 331 A CA 1.303 53.367 52.037 0.045 0.000 0.617 331 A CB -0.883 18.163 19.000 0.077 0.000 0.827 331 A HN 0.608 nan 8.150 nan 0.000 0.443 332 W N 0.067 121.364 121.300 -0.005 0.000 2.332 332 W HA -0.133 4.527 4.660 0.000 0.000 0.321 332 W C 2.437 178.962 176.519 0.010 0.000 1.219 332 W CA 1.064 58.358 57.345 -0.085 0.000 1.277 332 W CB -1.526 27.813 29.460 -0.202 0.000 1.161 332 W HN 0.177 nan 8.180 nan 0.000 0.476 333 V N 0.905 120.981 119.914 0.270 0.000 2.231 333 V HA -0.367 3.753 4.120 0.000 0.000 0.250 333 V C 2.328 178.528 176.094 0.176 0.000 1.058 333 V CA 2.539 64.955 62.300 0.193 0.000 1.022 333 V CB -1.150 30.762 31.823 0.148 0.000 0.640 333 V HN 0.164 nan 8.190 nan 0.000 0.445 334 D N -0.108 120.390 120.400 0.162 0.000 2.116 334 D HA -0.172 4.468 4.640 0.000 0.000 0.193 334 D C 2.134 178.549 176.300 0.191 0.000 0.998 334 D CA 2.022 56.112 54.000 0.150 0.000 0.836 334 D CB -0.058 40.820 40.800 0.130 0.000 0.951 334 D HN 0.290 nan 8.370 nan 0.000 0.449 335 V N 0.853 120.931 119.914 0.274 0.000 2.278 335 V HA -0.308 3.812 4.120 0.000 0.000 0.251 335 V C 2.871 179.147 176.094 0.304 0.000 1.062 335 V CA 1.724 64.252 62.300 0.380 0.000 1.038 335 V CB -0.690 31.399 31.823 0.443 0.000 0.646 335 V HN 0.133 nan 8.190 nan 0.000 0.447 336 V N -0.968 119.092 119.914 0.244 0.000 2.233 336 V HA -0.333 3.787 4.120 0.000 0.000 0.247 336 V C 2.539 178.728 176.094 0.158 0.000 1.050 336 V CA 2.348 64.775 62.300 0.210 0.000 1.010 336 V CB -1.044 30.895 31.823 0.194 0.000 0.637 336 V HN 0.677 nan 8.190 nan 0.000 0.444 337 C N 0.173 119.548 119.300 0.126 0.000 2.398 337 C HA -0.212 4.248 4.460 0.000 0.000 0.279 337 C C 2.889 177.917 174.990 0.063 0.000 1.250 337 C CA 1.880 60.942 59.018 0.073 0.000 1.786 337 C CB -1.523 26.254 27.740 0.061 0.000 2.018 337 C HN 0.711 nan 8.230 nan 0.000 0.494 338 T N -0.205 114.400 114.554 0.085 0.000 2.939 338 T HA -0.048 4.302 4.350 0.000 0.000 0.254 338 T C 1.999 176.750 174.700 0.086 0.000 1.041 338 T CA 1.357 63.485 62.100 0.046 0.000 1.142 338 T CB -0.231 68.616 68.868 -0.034 0.000 0.874 338 T HN 0.531 nan 8.240 nan 0.000 0.452 339 S N 2.496 118.294 115.700 0.164 0.000 2.356 339 S HA -0.103 4.367 4.470 0.000 0.000 0.223 339 S C 2.142 176.819 174.600 0.127 0.000 1.032 339 S CA 1.438 59.755 58.200 0.194 0.000 1.005 339 S CB -0.585 62.769 63.200 0.258 0.000 0.867 339 S HN 0.691 nan 8.310 nan 0.000 0.449 340 I N 0.020 120.651 120.570 0.102 0.000 2.761 340 I HA -0.079 4.091 4.170 0.000 0.000 0.266 340 I C 1.548 177.689 176.117 0.041 0.000 1.239 340 I CA 1.087 62.423 61.300 0.060 0.000 1.451 340 I CB -0.607 37.417 38.000 0.041 0.000 1.096 340 I HN 0.070 nan 8.210 nan 0.000 0.465 341 L N 0.028 121.280 121.223 0.049 0.000 2.478 341 L HA 0.075 4.415 4.340 0.000 0.000 0.223 341 L C 2.073 178.971 176.870 0.047 0.000 1.140 341 L CA 1.223 56.084 54.840 0.035 0.000 0.842 341 L CB -0.588 41.489 42.059 0.030 0.000 0.953 341 L HN 0.277 nan 8.230 nan 0.000 0.452 342 S N -1.445 114.298 115.700 0.071 0.000 2.523 342 S HA 0.282 4.752 4.470 0.000 0.000 0.217 342 S C 0.713 175.346 174.600 0.056 0.000 0.996 342 S CA -0.435 57.815 58.200 0.083 0.000 0.921 342 S CB 0.204 63.482 63.200 0.130 0.000 0.829 342 S HN 0.110 nan 8.310 nan 0.000 0.495 343 L N 4.093 125.340 121.223 0.040 0.000 2.514 343 L HA 0.146 4.486 4.340 0.000 0.000 0.280 343 L C -1.854 175.021 176.870 0.008 0.000 1.223 343 L CA -1.127 53.723 54.840 0.018 0.000 0.864 343 L CB -0.254 41.806 42.059 0.002 0.000 1.118 343 L HN 0.081 nan 8.230 nan 0.000 0.494 344 P HA 0.012 nan 4.420 nan 0.000 0.271 344 P C -0.515 176.778 177.300 -0.011 0.000 1.216 344 P CA -0.438 62.661 63.100 -0.002 0.000 0.776 344 P CB 0.639 32.337 31.700 -0.004 0.000 0.881 345 E N 1.700 121.893 120.200 -0.011 0.000 2.905 345 E HA -0.115 4.235 4.350 0.000 0.000 0.240 345 E C -0.300 176.288 176.600 -0.021 0.000 0.990 345 E CA 0.862 57.252 56.400 -0.017 0.000 0.954 345 E CB -0.122 29.569 29.700 -0.015 0.000 0.908 345 E HN 0.258 nan 8.360 nan 0.000 0.532 346 E N 5.420 125.604 120.200 -0.027 0.000 2.502 346 E HA 0.282 4.632 4.350 0.000 0.000 0.261 346 E C -2.412 174.167 176.600 -0.034 0.000 0.974 346 E CA -2.060 54.322 56.400 -0.030 0.000 0.795 346 E CB 1.132 30.811 29.700 -0.034 0.000 1.385 346 E HN 0.273 nan 8.360 nan 0.000 0.400 347 P HA -0.121 nan 4.420 nan 0.000 0.223 347 P C 0.464 177.743 177.300 -0.034 0.000 1.144 347 P CA 0.877 63.956 63.100 -0.034 0.000 0.783 347 P CB 0.349 32.032 31.700 -0.028 0.000 0.771 348 K N -1.171 119.211 120.400 -0.031 0.000 2.426 348 K HA 0.064 4.384 4.320 0.000 0.000 0.193 348 K C 0.948 177.529 176.600 -0.032 0.000 1.028 348 K CA 0.003 56.273 56.287 -0.028 0.000 1.047 348 K CB 0.239 32.726 32.500 -0.022 0.000 0.821 348 K HN 0.214 nan 8.250 nan 0.000 0.513 349 R N 1.681 122.156 120.500 -0.043 0.000 2.438 349 R HA 0.133 4.473 4.340 0.000 0.000 0.287 349 R C -0.433 175.830 176.300 -0.062 0.000 1.077 349 R CA 0.131 56.200 56.100 -0.052 0.000 1.034 349 R CB 0.541 30.805 30.300 -0.061 0.000 0.993 349 R HN -0.038 nan 8.270 nan 0.000 0.459 350 R N 4.802 125.271 120.500 -0.052 0.000 2.521 350 R HA 0.332 4.672 4.340 0.000 0.000 0.295 350 R C -1.182 175.079 176.300 -0.065 0.000 1.183 350 R CA -0.569 55.487 56.100 -0.073 0.000 0.957 350 R CB 1.367 31.678 30.300 0.018 0.000 1.171 350 R HN 0.425 nan 8.270 nan 0.000 0.494 351 L N 3.210 124.329 121.223 -0.173 0.000 2.333 351 L HA 0.540 4.880 4.340 0.000 0.000 0.280 351 L C -1.245 175.492 176.870 -0.221 0.000 1.004 351 L CA -0.771 54.017 54.840 -0.088 0.000 0.820 351 L CB 1.525 43.556 42.059 -0.048 0.000 1.247 351 L HN 0.531 nan 8.230 nan 0.000 0.416 352 W N 5.285 126.625 121.300 0.067 0.000 2.551 352 W HA 0.563 5.223 4.660 0.000 0.000 0.330 352 W C -0.555 175.992 176.519 0.048 0.000 1.063 352 W CA -0.322 57.042 57.345 0.031 0.000 1.222 352 W CB 1.418 30.972 29.460 0.157 0.000 1.349 352 W HN 0.187 nan 8.180 nan 0.000 0.536 353 L N 3.844 125.137 121.223 0.118 0.000 2.343 353 L HA 0.505 4.845 4.340 0.000 0.000 0.278 353 L C -1.571 175.287 176.870 -0.019 0.000 0.996 353 L CA -0.804 54.105 54.840 0.115 0.000 0.831 353 L CB 0.640 42.727 42.059 0.046 0.000 1.232 353 L HN 0.324 nan 8.230 nan 0.000 0.413 354 F N 5.831 125.886 119.950 0.175 0.000 2.361 354 F HA 0.416 4.943 4.527 0.000 0.000 0.364 354 F C 0.398 176.287 175.800 0.148 0.000 1.117 354 F CA -0.365 57.727 58.000 0.153 0.000 1.071 354 F CB 1.166 40.219 39.000 0.089 0.000 1.188 354 F HN 0.256 nan 8.300 nan 0.000 0.464 355 I N 4.725 125.444 120.570 0.249 0.000 2.479 355 I HA 0.068 4.238 4.170 0.000 0.000 0.279 355 I C 0.938 177.186 176.117 0.218 0.000 1.102 355 I CA -0.408 61.026 61.300 0.224 0.000 1.196 355 I CB 0.498 38.601 38.000 0.171 0.000 1.427 355 I HN 0.616 nan 8.210 nan 0.000 0.503 356 D N 3.903 124.457 120.400 0.255 0.000 2.242 356 D HA -0.291 4.349 4.640 0.000 0.000 0.190 356 D C 0.505 176.902 176.300 0.161 0.000 1.012 356 D CA 1.814 55.941 54.000 0.212 0.000 0.875 356 D CB 0.340 41.264 40.800 0.207 0.000 0.922 356 D HN 0.458 nan 8.370 nan 0.000 0.448 357 E N -0.999 119.299 120.200 0.164 0.000 2.621 357 E HA 0.226 4.576 4.350 0.000 0.000 0.263 357 E C 0.393 177.058 176.600 0.108 0.000 1.033 357 E CA -0.441 56.029 56.400 0.117 0.000 0.778 357 E CB 0.825 30.597 29.700 0.120 0.000 1.426 357 E HN 0.023 nan 8.360 nan 0.000 0.394 358 L N 3.401 124.672 121.223 0.080 0.000 2.051 358 L HA -0.176 4.165 4.340 0.000 0.000 0.214 358 L C 1.805 178.750 176.870 0.125 0.000 1.076 358 L CA 2.813 57.707 54.840 0.089 0.000 0.758 358 L CB -0.428 41.643 42.059 0.020 0.000 0.890 358 L HN 0.613 nan 8.230 nan 0.000 0.433 359 A N -2.134 120.744 122.820 0.097 0.000 2.125 359 A HA -0.119 4.201 4.320 0.000 0.000 0.219 359 A C 2.277 179.915 177.584 0.090 0.000 1.156 359 A CA 1.622 53.727 52.037 0.113 0.000 0.671 359 A CB -0.619 18.426 19.000 0.074 0.000 0.794 359 A HN 0.544 nan 8.150 nan 0.000 0.459 360 S N -0.663 115.085 115.700 0.080 0.000 2.528 360 S HA 0.257 4.727 4.470 0.000 0.000 0.219 360 S C 0.752 175.358 174.600 0.009 0.000 0.985 360 S CA -0.067 58.163 58.200 0.049 0.000 0.914 360 S CB -0.224 63.020 63.200 0.073 0.000 0.776 360 S HN 0.474 nan 8.310 nan 0.000 0.526 361 L N 1.089 122.334 121.223 0.035 0.000 2.567 361 L HA 0.344 4.684 4.340 0.000 0.000 0.238 361 L C 0.967 177.826 176.870 -0.018 0.000 1.168 361 L CA -0.683 54.157 54.840 -0.000 0.000 0.817 361 L CB 0.312 42.402 42.059 0.052 0.000 1.409 361 L HN 0.112 nan 8.230 nan 0.000 0.502 362 E N 0.108 120.278 120.200 -0.050 0.000 2.359 362 E HA 0.089 4.439 4.350 0.000 0.000 0.255 362 E C -0.578 175.900 176.600 -0.203 0.000 1.191 362 E CA -0.645 55.690 56.400 -0.109 0.000 0.952 362 E CB 0.628 30.276 29.700 -0.086 0.000 1.152 362 E HN 0.258 nan 8.360 nan 0.000 0.496 363 K N 1.988 122.174 120.400 -0.355 0.000 2.095 363 K HA 0.088 4.408 4.320 0.000 0.000 0.258 363 K C -0.310 176.158 176.600 -0.220 0.000 1.120 363 K CA -0.107 55.780 56.287 -0.666 0.000 1.026 363 K CB -0.628 31.546 32.500 -0.542 0.000 1.256 363 K HN 0.289 nan 8.250 nan 0.000 0.360 364 L N 3.161 124.402 121.223 0.029 0.000 2.490 364 L HA -0.037 4.303 4.340 0.000 0.000 0.274 364 L C 1.452 178.408 176.870 0.143 0.000 1.201 364 L CA -0.230 54.691 54.840 0.136 0.000 0.869 364 L CB 0.775 42.957 42.059 0.206 0.000 1.123 364 L HN 0.692 nan 8.230 nan 0.000 0.484 365 A N 1.977 124.843 122.820 0.078 0.000 2.072 365 A HA -0.021 4.299 4.320 0.000 0.000 0.216 365 A C 1.877 179.494 177.584 0.055 0.000 1.156 365 A CA 1.120 53.191 52.037 0.057 0.000 0.701 365 A CB -0.052 18.963 19.000 0.024 0.000 0.816 365 A HN 0.784 nan 8.150 nan 0.000 0.458 366 S N -0.853 114.883 115.700 0.059 0.000 2.526 366 S HA 0.211 4.681 4.470 0.000 0.000 0.220 366 S C 1.512 176.131 174.600 0.031 0.000 1.017 366 S CA -0.141 58.081 58.200 0.037 0.000 0.930 366 S CB -0.133 63.084 63.200 0.029 0.000 0.856 366 S HN 0.426 nan 8.310 nan 0.000 0.497 367 L N 2.042 123.296 121.223 0.052 0.000 2.034 367 L HA -0.289 4.051 4.340 0.000 0.000 0.217 367 L C 2.668 179.519 176.870 -0.032 0.000 1.077 367 L CA 1.940 56.789 54.840 0.015 0.000 0.769 367 L CB -0.817 41.271 42.059 0.050 0.000 0.890 367 L HN 0.431 nan 8.230 nan 0.000 0.435 368 A N 0.067 122.883 122.820 -0.006 0.000 1.852 368 A HA -0.317 4.003 4.320 0.000 0.000 0.217 368 A C 1.869 179.432 177.584 -0.036 0.000 1.215 368 A CA 2.328 54.351 52.037 -0.023 0.000 0.641 368 A CB -0.985 18.017 19.000 0.005 0.000 0.838 368 A HN 0.559 nan 8.150 nan 0.000 0.450 369 D N -0.140 120.248 120.400 -0.021 0.000 2.178 369 D HA -0.068 4.572 4.640 0.000 0.000 0.201 369 D C 2.227 178.506 176.300 -0.034 0.000 0.980 369 D CA 1.389 55.375 54.000 -0.024 0.000 0.842 369 D CB -0.423 40.367 40.800 -0.016 0.000 0.948 369 D HN 0.472 nan 8.370 nan 0.000 0.472 370 A N 1.337 124.130 122.820 -0.045 0.000 1.883 370 A HA -0.160 4.160 4.320 0.000 0.000 0.217 370 A C 2.348 179.867 177.584 -0.107 0.000 1.186 370 A CA 1.026 53.023 52.037 -0.066 0.000 0.624 370 A CB -0.921 18.035 19.000 -0.073 0.000 0.822 370 A HN 0.215 nan 8.150 nan 0.000 0.444 371 L N -1.042 120.080 121.223 -0.170 0.000 2.456 371 L HA -0.075 4.265 4.340 0.000 0.000 0.224 371 L C 2.054 178.944 176.870 0.033 0.000 1.148 371 L CA 1.300 56.009 54.840 -0.217 0.000 0.825 371 L CB -0.240 41.626 42.059 -0.322 0.000 0.937 371 L HN 0.365 nan 8.230 nan 0.000 0.450 372 T N -1.777 112.773 114.554 -0.008 0.000 2.955 372 T HA 0.096 4.446 4.350 0.000 0.000 0.251 372 T C 1.238 175.929 174.700 -0.015 0.000 1.002 372 T CA 0.230 62.325 62.100 -0.009 0.000 0.970 372 T CB 0.492 69.347 68.868 -0.021 0.000 1.091 372 T HN 0.213 nan 8.240 nan 0.000 0.495 373 K N 0.564 120.954 120.400 -0.015 0.000 2.501 373 K HA 0.338 4.658 4.320 0.000 0.000 0.204 373 K C 1.298 177.885 176.600 -0.021 0.000 1.067 373 K CA -0.157 56.117 56.287 -0.022 0.000 1.060 373 K CB 1.095 33.582 32.500 -0.022 0.000 0.873 373 K HN 0.107 nan 8.250 nan 0.000 0.540 374 G N 1.190 109.982 108.800 -0.014 0.000 3.371 374 G HA2 -0.066 3.894 3.960 0.000 0.000 0.248 374 G HA3 -0.066 3.894 3.960 0.000 0.000 0.248 374 G C 1.094 175.971 174.900 -0.038 0.000 1.161 374 G CA -0.257 44.831 45.100 -0.021 0.000 0.796 374 G HN 0.128 nan 8.290 nan 0.000 0.539 375 R N 1.396 121.865 120.500 -0.051 0.000 2.066 375 R HA -0.056 4.284 4.340 0.000 0.000 0.232 375 R C 2.292 178.547 176.300 -0.075 0.000 1.131 375 R CA 1.657 57.708 56.100 -0.082 0.000 0.955 375 R CB -0.115 30.131 30.300 -0.088 0.000 0.851 375 R HN 0.387 nan 8.270 nan 0.000 0.432 376 K N -0.809 119.557 120.400 -0.056 0.000 2.487 376 K HA 0.145 4.465 4.320 0.000 0.000 0.192 376 K C 1.196 177.768 176.600 -0.048 0.000 1.027 376 K CA 0.842 57.098 56.287 -0.051 0.000 1.054 376 K CB 0.533 33.009 32.500 -0.041 0.000 0.824 376 K HN 0.146 nan 8.250 nan 0.000 0.510 377 A N 1.241 124.032 122.820 -0.049 0.000 2.147 377 A HA 0.321 4.641 4.320 0.000 0.000 0.211 377 A C 1.504 179.048 177.584 -0.067 0.000 1.160 377 A CA 0.399 52.409 52.037 -0.045 0.000 0.781 377 A CB -0.247 18.734 19.000 -0.031 0.000 0.842 377 A HN 0.550 nan 8.150 nan 0.000 0.475 378 G N -0.899 107.849 108.800 -0.086 0.000 2.132 378 G HA2 -0.178 3.783 3.960 0.000 0.000 0.228 378 G HA3 -0.178 3.783 3.960 0.000 0.000 0.228 378 G C 0.053 174.847 174.900 -0.176 0.000 1.000 378 G CA 0.177 45.201 45.100 -0.126 0.000 0.693 378 G HN 0.576 nan 8.290 nan 0.000 0.515 379 L N 0.333 121.475 121.223 -0.135 0.000 2.367 379 L HA 0.580 4.920 4.340 0.000 0.000 0.275 379 L C 0.457 177.216 176.870 -0.185 0.000 1.129 379 L CA -0.298 54.453 54.840 -0.147 0.000 0.839 379 L CB 0.368 42.382 42.059 -0.076 0.000 1.133 379 L HN 0.299 nan 8.230 nan 0.000 0.453 380 R N 4.385 124.668 120.500 -0.362 0.000 2.473 380 R HA 0.466 4.806 4.340 0.000 0.000 0.303 380 R C -1.278 174.854 176.300 -0.279 0.000 1.002 380 R CA -0.708 55.107 56.100 -0.476 0.000 0.884 380 R CB 1.916 31.353 30.300 -1.439 0.000 1.173 380 R HN 0.330 nan 8.270 nan 0.000 0.464 381 V N 3.382 123.246 119.914 -0.085 0.000 2.472 381 V HA 0.470 4.590 4.120 0.000 0.000 0.290 381 V C -0.037 176.098 176.094 0.068 0.000 1.037 381 V CA -0.787 61.423 62.300 -0.151 0.000 0.908 381 V CB 1.950 33.503 31.823 -0.450 0.000 0.985 381 V HN 0.421 nan 8.190 nan 0.000 0.454 382 V N 3.349 123.269 119.914 0.010 0.000 2.525 382 V HA 0.881 5.001 4.120 0.000 0.000 0.299 382 V C 0.066 176.228 176.094 0.113 0.000 1.034 382 V CA -0.354 61.986 62.300 0.067 0.000 0.863 382 V CB 1.492 33.185 31.823 -0.217 0.000 0.999 382 V HN 1.078 nan 8.190 nan 0.000 0.423 383 A N 3.251 126.165 122.820 0.157 0.000 2.454 383 A HA 1.014 5.334 4.320 0.000 0.000 0.302 383 A C -0.075 177.497 177.584 -0.021 0.000 1.079 383 A CA -0.231 51.842 52.037 0.060 0.000 0.731 383 A CB 2.096 21.096 19.000 0.000 0.000 1.299 383 A HN 1.145 nan 8.150 nan 0.000 0.413 384 G N -0.204 108.601 108.800 0.009 0.000 2.481 384 G HA2 0.641 4.601 3.960 0.000 0.000 0.315 384 G HA3 0.641 4.601 3.960 0.000 0.000 0.315 384 G C -1.587 173.299 174.900 -0.023 0.000 1.231 384 G CA -0.370 44.730 45.100 -0.001 0.000 0.968 384 G HN 0.540 nan 8.290 nan 0.000 0.482 385 L N -0.487 120.716 121.223 -0.034 0.000 2.479 385 L HA 0.544 4.884 4.340 0.000 0.000 0.255 385 L C 0.689 177.552 176.870 -0.010 0.000 1.026 385 L CA -0.633 54.190 54.840 -0.029 0.000 0.842 385 L CB 1.862 43.879 42.059 -0.070 0.000 1.444 385 L HN 0.754 nan 8.230 nan 0.000 0.409 386 Q N -0.483 119.316 119.800 -0.001 0.000 2.612 386 Q HA 0.364 4.704 4.340 0.000 0.000 0.193 386 Q C -0.460 175.539 176.000 -0.001 0.000 0.828 386 Q CA 0.065 55.870 55.803 0.005 0.000 0.851 386 Q CB 1.028 29.774 28.738 0.015 0.000 1.178 386 Q HN 0.698 nan 8.270 nan 0.000 0.634 387 S N 0.401 116.103 115.700 0.002 0.000 2.549 387 S HA 0.179 4.649 4.470 0.000 0.000 0.297 387 S C 0.667 175.265 174.600 -0.003 0.000 1.115 387 S CA -0.044 58.156 58.200 -0.000 0.000 1.059 387 S CB 1.724 64.927 63.200 0.005 0.000 1.046 387 S HN 0.563 nan 8.310 nan 0.000 0.506 388 T N -0.608 113.943 114.554 -0.006 0.000 2.915 388 T HA -0.132 4.218 4.350 0.000 0.000 0.269 388 T C 1.980 176.683 174.700 0.005 0.000 1.071 388 T CA 1.304 63.400 62.100 -0.007 0.000 1.132 388 T CB -0.579 68.283 68.868 -0.010 0.000 0.878 388 T HN 0.619 nan 8.240 nan 0.000 0.479 389 S N 1.782 117.486 115.700 0.007 0.000 2.419 389 S HA -0.187 4.283 4.470 0.000 0.000 0.233 389 S C 2.088 176.701 174.600 0.021 0.000 1.016 389 S CA 0.677 58.885 58.200 0.013 0.000 0.974 389 S CB -0.608 62.598 63.200 0.009 0.000 0.786 389 S HN 0.659 nan 8.310 nan 0.000 0.492 390 Q N 0.786 120.599 119.800 0.023 0.000 1.948 390 Q HA -0.031 4.309 4.340 0.000 0.000 0.205 390 Q C 2.279 178.313 176.000 0.056 0.000 0.992 390 Q CA 1.619 57.442 55.803 0.033 0.000 0.849 390 Q CB -0.519 28.238 28.738 0.032 0.000 0.918 390 Q HN 0.480 nan 8.270 nan 0.000 0.421 391 L N 1.268 122.530 121.223 0.063 0.000 2.131 391 L HA -0.207 4.133 4.340 0.000 0.000 0.210 391 L C 1.554 178.506 176.870 0.137 0.000 1.092 391 L CA 1.642 56.554 54.840 0.120 0.000 0.759 391 L CB -0.324 41.768 42.059 0.055 0.000 0.903 391 L HN 0.166 nan 8.230 nan 0.000 0.435 392 D N -0.381 120.064 120.400 0.074 0.000 2.087 392 D HA -0.247 4.393 4.640 0.000 0.000 0.192 392 D C 1.818 178.158 176.300 0.067 0.000 0.993 392 D CA 1.669 55.709 54.000 0.066 0.000 0.828 392 D CB -0.252 40.569 40.800 0.035 0.000 0.968 392 D HN 0.416 nan 8.370 nan 0.000 0.448 393 D N -0.516 119.911 120.400 0.045 0.000 2.190 393 D HA -0.124 4.516 4.640 0.000 0.000 0.200 393 D C 1.907 178.215 176.300 0.013 0.000 0.992 393 D CA 0.689 54.704 54.000 0.024 0.000 0.854 393 D CB 0.213 41.023 40.800 0.016 0.000 0.936 393 D HN 0.016 nan 8.370 nan 0.000 0.462 394 V N -0.739 119.197 119.914 0.038 0.000 2.379 394 V HA -0.143 3.977 4.120 0.000 0.000 0.243 394 V C 1.477 177.491 176.094 -0.133 0.000 1.035 394 V CA 1.253 63.526 62.300 -0.044 0.000 1.035 394 V CB -0.536 31.277 31.823 -0.018 0.000 0.673 394 V HN 0.240 nan 8.190 nan 0.000 0.457 395 Y N 0.465 120.763 120.300 -0.004 0.000 2.478 395 Y HA 0.521 5.071 4.550 0.000 0.000 0.261 395 Y C 1.302 177.197 175.900 -0.008 0.000 1.127 395 Y CA 0.436 58.534 58.100 -0.003 0.000 1.288 395 Y CB 0.206 38.670 38.460 0.006 0.000 1.084 395 Y HN 0.354 nan 8.280 nan 0.000 0.530 396 G N -0.468 108.399 108.800 0.111 0.000 2.719 396 G HA2 -0.174 3.786 3.960 0.000 0.000 0.686 396 G HA3 -0.174 3.786 3.960 0.000 0.000 0.686 396 G C 0.403 175.343 174.900 0.067 0.000 1.201 396 G CA -0.488 44.648 45.100 0.060 0.000 0.768 396 G HN -0.034 nan 8.290 nan 0.000 0.629 397 V N 2.285 122.222 119.914 0.038 0.000 2.282 397 V HA -0.212 3.908 4.120 0.000 0.000 0.249 397 V C 2.994 179.105 176.094 0.028 0.000 1.057 397 V CA 2.607 64.925 62.300 0.030 0.000 1.032 397 V CB -0.507 31.326 31.823 0.016 0.000 0.645 397 V HN 0.753 nan 8.190 nan 0.000 0.447 398 K N -0.062 120.354 120.400 0.026 0.000 2.025 398 K HA -0.167 4.154 4.320 0.000 0.000 0.207 398 K C 2.177 178.795 176.600 0.030 0.000 1.049 398 K CA 1.542 57.842 56.287 0.022 0.000 0.933 398 K CB -0.339 32.171 32.500 0.016 0.000 0.714 398 K HN 0.537 nan 8.250 nan 0.000 0.438 399 E N 0.359 120.589 120.200 0.051 0.000 2.106 399 E HA -0.117 4.233 4.350 0.000 0.000 0.192 399 E C 1.870 178.495 176.600 0.042 0.000 0.984 399 E CA 1.027 57.468 56.400 0.068 0.000 0.806 399 E CB -0.001 29.778 29.700 0.131 0.000 0.750 399 E HN 0.310 nan 8.360 nan 0.000 0.458 400 A N 0.782 123.635 122.820 0.056 0.000 1.902 400 A HA -0.285 4.035 4.320 0.000 0.000 0.217 400 A C 2.108 179.681 177.584 -0.018 0.000 1.181 400 A CA 1.703 53.740 52.037 0.001 0.000 0.623 400 A CB -0.598 18.427 19.000 0.042 0.000 0.818 400 A HN 0.307 nan 8.150 nan 0.000 0.443 401 Q N -0.658 119.145 119.800 0.004 0.000 2.014 401 Q HA -0.211 4.129 4.340 0.000 0.000 0.207 401 Q C 2.123 178.129 176.000 0.009 0.000 0.993 401 Q CA 2.634 58.440 55.803 0.005 0.000 0.850 401 Q CB -0.474 28.270 28.738 0.009 0.000 0.916 401 Q HN 0.602 nan 8.270 nan 0.000 0.417 402 T N 1.885 116.445 114.554 0.010 0.000 2.653 402 T HA -0.216 4.134 4.350 0.000 0.000 0.268 402 T C 1.757 176.468 174.700 0.018 0.000 1.035 402 T CA 1.453 63.560 62.100 0.013 0.000 1.154 402 T CB -0.436 68.438 68.868 0.009 0.000 0.862 402 T HN 0.205 nan 8.240 nan 0.000 0.441 403 L N 1.174 122.389 121.223 -0.013 0.000 1.970 403 L HA -0.057 4.283 4.340 0.000 0.000 0.212 403 L C 2.554 179.498 176.870 0.124 0.000 1.071 403 L CA 1.779 56.610 54.840 -0.015 0.000 0.751 403 L CB -0.618 41.320 42.059 -0.202 0.000 0.889 403 L HN 0.112 nan 8.230 nan 0.000 0.432 404 R N -0.850 119.682 120.500 0.053 0.000 2.091 404 R HA -0.133 4.207 4.340 0.000 0.000 0.238 404 R C 2.139 178.551 176.300 0.187 0.000 1.136 404 R CA 1.295 57.437 56.100 0.070 0.000 0.959 404 R CB -0.683 29.599 30.300 -0.030 0.000 0.856 404 R HN 0.521 nan 8.270 nan 0.000 0.437 405 A N 0.472 123.360 122.820 0.113 0.000 2.131 405 A HA -0.134 4.187 4.320 0.000 0.000 0.220 405 A C 1.959 179.618 177.584 0.126 0.000 1.158 405 A CA 1.565 53.662 52.037 0.099 0.000 0.665 405 A CB -0.255 18.776 19.000 0.052 0.000 0.795 405 A HN 0.227 nan 8.150 nan 0.000 0.460 406 S N -1.046 114.753 115.700 0.165 0.000 2.522 406 S HA 0.172 4.642 4.470 0.000 0.000 0.227 406 S C -0.146 174.476 174.600 0.038 0.000 0.986 406 S CA 0.034 58.278 58.200 0.073 0.000 0.929 406 S CB -0.239 62.956 63.200 -0.009 0.000 0.769 406 S HN 0.449 nan 8.310 nan 0.000 0.529 407 F N 2.222 122.213 119.950 0.068 0.000 2.404 407 F HA 0.411 4.939 4.527 0.000 0.000 0.358 407 F C 1.389 177.220 175.800 0.052 0.000 1.120 407 F CA -0.984 57.073 58.000 0.095 0.000 1.144 407 F CB 0.763 39.806 39.000 0.071 0.000 1.133 407 F HN -0.192 nan 8.300 nan 0.000 0.495 408 R N 0.688 121.276 120.500 0.147 0.000 2.119 408 R HA 0.076 4.416 4.340 0.000 0.000 0.222 408 R C 0.215 176.594 176.300 0.131 0.000 1.088 408 R CA 0.372 56.531 56.100 0.098 0.000 0.984 408 R CB -0.379 29.935 30.300 0.022 0.000 0.884 408 R HN 0.432 nan 8.270 nan 0.000 0.447 409 S N 1.271 117.075 115.700 0.174 0.000 2.525 409 S HA 0.509 4.979 4.470 0.000 0.000 0.290 409 S C -0.478 174.198 174.600 0.126 0.000 1.152 409 S CA -0.756 57.547 58.200 0.172 0.000 1.072 409 S CB 1.919 65.282 63.200 0.273 0.000 1.027 409 S HN 0.067 nan 8.310 nan 0.000 0.500 410 L N 2.783 124.026 121.223 0.033 0.000 2.401 410 L HA 0.778 5.118 4.340 0.000 0.000 0.266 410 L C -1.492 175.344 176.870 -0.057 0.000 0.991 410 L CA -0.584 54.257 54.840 0.001 0.000 0.818 410 L CB 1.965 44.029 42.059 0.007 0.000 1.321 410 L HN 0.488 nan 8.230 nan 0.000 0.413 411 V N 5.021 124.916 119.914 -0.032 0.000 2.444 411 V HA 0.508 4.628 4.120 0.000 0.000 0.294 411 V C -0.715 175.385 176.094 0.010 0.000 1.022 411 V CA -0.640 61.643 62.300 -0.028 0.000 0.850 411 V CB 1.908 33.718 31.823 -0.021 0.000 0.992 411 V HN 0.528 nan 8.190 nan 0.000 0.426 412 V N 6.774 126.720 119.914 0.053 0.000 2.328 412 V HA 0.321 4.441 4.120 0.000 0.000 0.278 412 V C 0.753 176.917 176.094 0.116 0.000 1.021 412 V CA -0.079 62.267 62.300 0.077 0.000 0.838 412 V CB 1.504 33.375 31.823 0.081 0.000 0.999 412 V HN 0.774 nan 8.190 nan 0.000 0.447 413 L N 4.010 125.274 121.223 0.069 0.000 2.509 413 L HA 0.410 4.750 4.340 0.000 0.000 0.222 413 L C 1.126 178.038 176.870 0.069 0.000 1.123 413 L CA 0.810 55.687 54.840 0.062 0.000 0.856 413 L CB -0.125 41.958 42.059 0.039 0.000 0.985 413 L HN 0.935 nan 8.230 nan 0.000 0.456 414 G N -0.342 108.501 108.800 0.073 0.000 3.190 414 G HA2 0.054 4.014 3.960 0.000 0.000 0.686 414 G HA3 0.054 4.014 3.960 0.000 0.000 0.686 414 G C -0.267 174.654 174.900 0.036 0.000 1.033 414 G CA -0.536 44.602 45.100 0.063 0.000 0.797 414 G HN 0.360 nan 8.290 nan 0.000 0.567 415 G N -0.239 108.576 108.800 0.025 0.000 3.209 415 G HA2 0.895 4.855 3.960 0.000 0.000 0.236 415 G HA3 0.895 4.855 3.960 0.000 0.000 0.236 415 G C 0.250 175.158 174.900 0.013 0.000 1.329 415 G CA 0.586 45.696 45.100 0.016 0.000 1.015 415 G HN 1.774 nan 8.290 nan 0.000 0.571 416 S N -1.327 114.378 115.700 0.009 0.000 2.586 416 S HA 0.216 4.686 4.470 0.000 0.000 0.274 416 S C 1.697 176.300 174.600 0.004 0.000 1.281 416 S CA -0.335 57.870 58.200 0.007 0.000 1.035 416 S CB 0.834 64.038 63.200 0.007 0.000 0.962 416 S HN 0.617 nan 8.310 nan 0.000 0.512 417 R N 1.553 122.055 120.500 0.004 0.000 2.280 417 R HA 0.000 4.340 4.340 0.000 0.000 0.207 417 R C 1.581 177.881 176.300 0.000 0.000 1.043 417 R CA 1.353 57.454 56.100 0.001 0.000 1.006 417 R CB -1.150 29.150 30.300 0.001 0.000 0.885 417 R HN 0.684 nan 8.270 nan 0.000 0.467 418 T N -2.290 112.265 114.554 0.002 0.000 3.160 418 T HA -0.058 4.292 4.350 0.000 0.000 0.257 418 T C 0.378 175.078 174.700 0.001 0.000 1.147 418 T CA 0.421 62.522 62.100 0.002 0.000 1.064 418 T CB 0.108 68.977 68.868 0.003 0.000 0.949 418 T HN 0.104 nan 8.240 nan 0.000 0.526 419 D N 1.856 122.256 120.400 0.000 0.000 2.607 419 D HA 0.284 4.924 4.640 0.000 0.000 0.318 419 D C -1.553 174.744 176.300 -0.004 0.000 1.212 419 D CA -2.423 51.577 54.000 -0.001 0.000 0.861 419 D CB 1.383 42.183 40.800 0.000 0.000 1.064 419 D HN 0.082 nan 8.370 nan 0.000 0.500 420 P HA -0.182 nan 4.420 nan 0.000 0.216 420 P C 1.327 178.621 177.300 -0.010 0.000 1.150 420 P CA 0.773 63.868 63.100 -0.008 0.000 0.837 420 P CB 0.674 32.369 31.700 -0.007 0.000 0.786 421 K N -0.285 120.110 120.400 -0.008 0.000 2.001 421 K HA -0.104 4.216 4.320 0.000 0.000 0.214 421 K C 2.285 178.878 176.600 -0.012 0.000 1.050 421 K CA 2.086 58.368 56.287 -0.009 0.000 0.934 421 K CB -1.227 31.269 32.500 -0.006 0.000 0.718 421 K HN 0.142 nan 8.250 nan 0.000 0.443 422 T N 1.477 116.025 114.554 -0.010 0.000 2.720 422 T HA -0.141 4.209 4.350 0.000 0.000 0.268 422 T C 1.621 176.310 174.700 -0.019 0.000 1.037 422 T CA 1.720 63.812 62.100 -0.013 0.000 1.144 422 T CB -0.430 68.432 68.868 -0.010 0.000 0.864 422 T HN 0.361 nan 8.240 nan 0.000 0.444 423 N N 0.382 119.071 118.700 -0.018 0.000 2.149 423 N HA -0.163 4.577 4.740 0.000 0.000 0.188 423 N C 1.987 177.477 175.510 -0.034 0.000 1.019 423 N CA 1.147 54.181 53.050 -0.025 0.000 0.857 423 N CB -0.109 38.365 38.487 -0.021 0.000 0.997 423 N HN 0.384 nan 8.380 nan 0.000 0.426 424 E N 1.605 121.788 120.200 -0.028 0.000 2.047 424 E HA -0.182 4.168 4.350 0.000 0.000 0.191 424 E C 1.140 177.721 176.600 -0.032 0.000 0.987 424 E CA 1.494 57.877 56.400 -0.029 0.000 0.799 424 E CB -0.125 29.562 29.700 -0.021 0.000 0.752 424 E HN 0.190 nan 8.360 nan 0.000 0.449 425 D N -0.315 120.069 120.400 -0.027 0.000 2.123 425 D HA -0.178 4.462 4.640 0.000 0.000 0.196 425 D C 1.824 178.103 176.300 -0.034 0.000 0.992 425 D CA 1.225 55.209 54.000 -0.026 0.000 0.833 425 D CB -0.177 40.610 40.800 -0.021 0.000 0.954 425 D HN 0.281 nan 8.370 nan 0.000 0.455 426 M N 0.217 119.793 119.600 -0.040 0.000 2.132 426 M HA -0.074 4.406 4.480 0.000 0.000 0.263 426 M C 2.363 178.617 176.300 -0.076 0.000 1.065 426 M CA 0.736 56.004 55.300 -0.052 0.000 1.122 426 M CB -1.133 31.437 32.600 -0.051 0.000 1.365 426 M HN -0.051 nan 8.290 nan 0.000 0.411 427 S N 0.895 116.546 115.700 -0.081 0.000 2.359 427 S HA -0.155 4.315 4.470 0.000 0.000 0.223 427 S C 2.014 176.568 174.600 -0.078 0.000 1.039 427 S CA 1.263 59.403 58.200 -0.101 0.000 1.042 427 S CB -0.342 62.809 63.200 -0.082 0.000 0.915 427 S HN 0.483 nan 8.310 nan 0.000 0.439 428 L N 0.840 122.031 121.223 -0.053 0.000 2.046 428 L HA -0.092 4.248 4.340 0.000 0.000 0.208 428 L C 2.460 179.310 176.870 -0.032 0.000 1.077 428 L CA 1.779 56.596 54.840 -0.038 0.000 0.747 428 L CB -0.560 41.482 42.059 -0.028 0.000 0.896 428 L HN 0.347 nan 8.230 nan 0.000 0.432 429 S N -0.141 115.540 115.700 -0.032 0.000 2.399 429 S HA -0.155 4.315 4.470 0.000 0.000 0.231 429 S C 1.746 176.333 174.600 -0.022 0.000 1.022 429 S CA 0.916 59.103 58.200 -0.021 0.000 0.983 429 S CB -0.206 62.982 63.200 -0.020 0.000 0.803 429 S HN 0.221 nan 8.310 nan 0.000 0.480 430 L N 0.764 121.959 121.223 -0.046 0.000 2.083 430 L HA 0.159 4.500 4.340 0.000 0.000 0.209 430 L C 1.403 178.258 176.870 -0.025 0.000 1.083 430 L CA 1.666 56.476 54.840 -0.050 0.000 0.752 430 L CB -1.543 40.443 42.059 -0.122 0.000 0.899 430 L HN 0.493 nan 8.230 nan 0.000 0.433 431 G N -1.021 107.760 108.800 -0.033 0.000 2.555 431 G HA2 -0.097 3.863 3.960 0.000 0.000 0.686 431 G HA3 -0.097 3.863 3.960 0.000 0.000 0.686 431 G C -0.568 174.311 174.900 -0.035 0.000 1.275 431 G CA -0.731 44.359 45.100 -0.016 0.000 0.871 431 G HN 0.090 nan 8.290 nan 0.000 0.603 432 E N -0.436 119.752 120.200 -0.020 0.000 2.259 432 E HA 0.692 5.042 4.350 0.000 0.000 0.257 432 E C 0.120 176.739 176.600 0.031 0.000 0.998 432 E CA -0.650 55.726 56.400 -0.039 0.000 0.866 432 E CB 1.617 31.306 29.700 -0.019 0.000 1.220 432 E HN 0.807 nan 8.360 nan 0.000 0.415 433 H N -1.559 117.459 119.070 -0.086 0.000 2.980 433 H HA 0.536 5.092 4.556 0.000 0.000 0.367 433 H C -1.239 173.902 175.328 -0.311 0.000 1.206 433 H CA -1.004 54.936 56.048 -0.179 0.000 1.126 433 H CB 1.971 31.661 29.762 -0.121 0.000 1.838 433 H HN 0.351 nan 8.280 nan 0.000 0.552 434 E N 2.105 122.044 120.200 -0.436 0.000 2.176 434 E HA 0.470 4.821 4.350 0.000 0.000 0.267 434 E C -1.522 174.610 176.600 -0.780 0.000 0.893 434 E CA -0.860 55.263 56.400 -0.462 0.000 0.761 434 E CB 2.268 31.771 29.700 -0.329 0.000 1.133 434 E HN 0.408 nan 8.360 nan 0.000 0.409 435 V N 3.272 122.760 119.914 -0.710 0.000 3.074 435 V HA 0.371 4.492 4.120 0.000 0.000 0.314 435 V C -0.878 174.997 176.094 -0.366 0.000 1.117 435 V CA -0.760 61.084 62.300 -0.760 0.000 1.014 435 V CB 2.275 33.291 31.823 -1.345 0.000 1.057 435 V HN 0.716 nan 8.190 nan 0.000 0.438 436 E N 2.102 122.182 120.200 -0.200 0.000 2.155 436 E HA 0.530 4.880 4.350 0.000 0.000 0.264 436 E C -0.770 175.859 176.600 0.048 0.000 0.886 436 E CA -0.480 55.886 56.400 -0.057 0.000 0.752 436 E CB 1.258 30.945 29.700 -0.020 0.000 1.133 436 E HN 0.458 nan 8.360 nan 0.000 0.414 437 R N 2.543 123.068 120.500 0.041 0.000 2.854 437 R HA 0.284 4.624 4.340 0.000 0.000 0.271 437 R C -1.138 175.200 176.300 0.063 0.000 0.996 437 R CA -0.920 55.238 56.100 0.096 0.000 0.961 437 R CB 1.313 31.680 30.300 0.112 0.000 1.182 437 R HN 0.487 nan 8.270 nan 0.000 0.479 438 D N 2.424 122.865 120.400 0.068 0.000 2.343 438 D HA 0.107 4.747 4.640 0.000 0.000 0.255 438 D C 0.378 176.704 176.300 0.044 0.000 1.187 438 D CA 0.139 54.167 54.000 0.047 0.000 0.875 438 D CB 0.786 41.612 40.800 0.043 0.000 1.136 438 D HN 0.088 nan 8.370 nan 0.000 0.469 455 E N 0.500 120.701 120.200 0.002 0.000 2.317 455 E HA 0.528 4.878 4.350 0.000 0.000 0.270 455 E C -1.240 175.342 176.600 -0.030 0.000 0.899 455 E CA -0.455 55.941 56.400 -0.006 0.000 0.814 455 E CB 1.305 31.011 29.700 0.009 0.000 1.296 455 E HN 0.355 nan 8.360 nan 0.000 0.404 456 R N 1.657 122.131 120.500 -0.044 0.000 2.357 456 R HA 0.720 5.060 4.340 0.000 0.000 0.296 456 R C -0.853 175.402 176.300 -0.075 0.000 1.052 456 R CA -0.514 55.539 56.100 -0.078 0.000 0.988 456 R CB 1.431 31.684 30.300 -0.078 0.000 1.025 456 R HN 0.280 nan 8.270 nan 0.000 0.469 457 V N 2.489 122.337 119.914 -0.111 0.000 2.932 457 V HA 0.495 4.615 4.120 0.000 0.000 0.307 457 V C -0.499 175.538 176.094 -0.095 0.000 1.147 457 V CA -0.981 61.274 62.300 -0.076 0.000 0.951 457 V CB 2.393 34.193 31.823 -0.040 0.000 1.031 457 V HN 0.613 nan 8.190 nan 0.000 0.426 458 R N 2.811 123.286 120.500 -0.041 0.000 2.445 458 R HA 0.712 5.052 4.340 0.000 0.000 0.308 458 R C -0.894 175.428 176.300 0.037 0.000 0.961 458 R CA -0.337 55.753 56.100 -0.016 0.000 0.862 458 R CB 1.645 31.927 30.300 -0.029 0.000 1.144 458 R HN 1.022 nan 8.270 nan 0.000 0.447 459 E N 3.024 123.282 120.200 0.097 0.000 2.390 459 E HA 0.336 4.686 4.350 0.000 0.000 0.280 459 E C -1.091 175.464 176.600 -0.075 0.000 0.992 459 E CA -1.204 55.224 56.400 0.047 0.000 0.790 459 E CB 1.068 30.841 29.700 0.121 0.000 1.248 459 E HN 0.178 nan 8.360 nan 0.000 0.447 460 R N 1.257 121.723 120.500 -0.056 0.000 2.484 460 R HA 0.070 4.410 4.340 0.000 0.000 0.293 460 R C 0.919 177.150 176.300 -0.116 0.000 1.023 460 R CA 0.024 56.071 56.100 -0.087 0.000 1.037 460 R CB 0.714 30.982 30.300 -0.054 0.000 0.951 460 R HN 0.545 nan 8.270 nan 0.000 0.418 461 V N 3.081 122.893 119.914 -0.169 0.000 2.358 461 V HA -0.121 3.999 4.120 0.000 0.000 0.246 461 V C 0.999 177.127 176.094 0.057 0.000 1.047 461 V CA 1.409 63.676 62.300 -0.055 0.000 1.035 461 V CB 0.022 31.820 31.823 -0.042 0.000 0.658 461 V HN 0.402 nan 8.190 nan 0.000 0.452 462 V N 1.144 121.005 119.914 -0.088 0.000 2.407 462 V HA 0.361 4.481 4.120 0.000 0.000 0.291 462 V C -0.071 175.928 176.094 -0.158 0.000 1.018 462 V CA -0.402 61.782 62.300 -0.192 0.000 0.842 462 V CB 1.467 33.003 31.823 -0.479 0.000 0.996 462 V HN 0.267 nan 8.190 nan 0.000 0.426 463 M N 5.575 125.104 119.600 -0.118 0.000 2.245 463 M HA 0.181 4.661 4.480 0.000 0.000 0.330 463 M C -1.362 174.885 176.300 -0.088 0.000 1.098 463 M CA -1.110 54.139 55.300 -0.085 0.000 1.172 463 M CB 1.231 33.792 32.600 -0.064 0.000 1.467 463 M HN 0.338 nan 8.290 nan 0.000 0.454 464 P HA -0.123 nan 4.420 nan 0.000 0.216 464 P C 0.815 178.091 177.300 -0.041 0.000 1.153 464 P CA 1.577 64.645 63.100 -0.054 0.000 0.848 464 P CB 0.007 31.684 31.700 -0.038 0.000 0.787 465 A N 0.155 122.955 122.820 -0.033 0.000 1.908 465 A HA -0.259 4.061 4.320 0.000 0.000 0.218 465 A C 2.118 179.693 177.584 -0.015 0.000 1.181 465 A CA 1.708 53.733 52.037 -0.021 0.000 0.627 465 A CB -1.241 17.747 19.000 -0.020 0.000 0.818 465 A HN 0.198 nan 8.150 nan 0.000 0.445 466 E N -0.396 119.788 120.200 -0.026 0.000 2.118 466 E HA -0.178 4.172 4.350 0.000 0.000 0.195 466 E C 1.876 178.497 176.600 0.036 0.000 0.992 466 E CA 1.314 57.715 56.400 0.001 0.000 0.804 466 E CB -0.312 29.376 29.700 -0.019 0.000 0.741 466 E HN 0.736 nan 8.360 nan 0.000 0.458 467 I N 0.915 121.481 120.570 -0.007 0.000 2.353 467 I HA -0.187 3.984 4.170 0.000 0.000 0.248 467 I C 2.501 178.637 176.117 0.032 0.000 1.119 467 I CA 0.738 62.051 61.300 0.022 0.000 1.417 467 I CB -0.223 37.757 38.000 -0.034 0.000 1.078 467 I HN 0.042 nan 8.210 nan 0.000 0.421 468 A N 0.474 123.301 122.820 0.011 0.000 2.015 468 A HA -0.110 4.210 4.320 0.000 0.000 0.219 468 A C 1.818 179.413 177.584 0.018 0.000 1.163 468 A CA 1.297 53.341 52.037 0.012 0.000 0.646 468 A CB -0.412 18.589 19.000 0.002 0.000 0.806 468 A HN 0.415 nan 8.150 nan 0.000 0.448 469 N N -0.254 118.459 118.700 0.022 0.000 2.270 469 N HA 0.175 4.915 4.740 0.000 0.000 0.198 469 N C -0.116 175.413 175.510 0.033 0.000 1.117 469 N CA -0.042 53.021 53.050 0.022 0.000 0.845 469 N CB 0.188 38.684 38.487 0.015 0.000 0.980 469 N HN 0.405 nan 8.380 nan 0.000 0.486 470 L N 3.018 124.272 121.223 0.051 0.000 2.485 470 L HA 0.092 4.432 4.340 0.000 0.000 0.275 470 L C -1.649 175.240 176.870 0.031 0.000 1.207 470 L CA -0.835 54.039 54.840 0.058 0.000 0.855 470 L CB 0.322 42.436 42.059 0.092 0.000 1.114 470 L HN -0.061 nan 8.230 nan 0.000 0.485 471 P HA 0.194 nan 4.420 nan 0.000 0.281 471 P C -1.025 176.280 177.300 0.009 0.000 1.264 471 P CA -0.751 62.355 63.100 0.010 0.000 0.824 471 P CB 0.951 32.653 31.700 0.003 0.000 1.092 472 D N 0.473 120.879 120.400 0.009 0.000 2.354 472 D HA 0.039 4.679 4.640 0.000 0.000 0.238 472 D C 1.055 177.359 176.300 0.006 0.000 1.250 472 D CA 0.139 54.145 54.000 0.010 0.000 0.911 472 D CB 0.120 40.926 40.800 0.011 0.000 1.163 472 D HN 0.420 nan 8.370 nan 0.000 0.456 473 L N -0.629 120.600 121.223 0.010 0.000 3.781 473 L HA -0.255 4.085 4.340 0.000 0.000 0.426 473 L C -0.184 176.682 176.870 -0.007 0.000 1.197 473 L CA 0.616 55.460 54.840 0.008 0.000 0.907 473 L CB -2.067 39.999 42.059 0.010 0.000 1.812 473 L HN 0.278 nan 8.230 nan 0.000 0.956 474 T N -0.463 114.082 114.554 -0.016 0.000 2.971 474 T HA 0.816 5.166 4.350 0.000 0.000 0.304 474 T C -0.220 174.444 174.700 -0.059 0.000 1.038 474 T CA 0.039 62.108 62.100 -0.052 0.000 1.007 474 T CB 2.181 71.016 68.868 -0.056 0.000 1.055 474 T HN 0.424 nan 8.240 nan 0.000 0.451 475 A N 2.389 125.140 122.820 -0.116 0.000 2.604 475 A HA 0.750 5.070 4.320 0.000 0.000 0.295 475 A C -2.105 175.362 177.584 -0.196 0.000 1.067 475 A CA -0.854 51.131 52.037 -0.087 0.000 0.683 475 A CB 1.014 20.010 19.000 -0.006 0.000 1.281 475 A HN 0.717 nan 8.150 nan 0.000 0.407 476 Y N 0.327 120.611 120.300 -0.027 0.000 2.316 476 Y HA 0.479 5.029 4.550 0.000 0.000 0.331 476 Y C 0.257 176.108 175.900 -0.081 0.000 1.083 476 Y CA -0.159 57.919 58.100 -0.036 0.000 1.206 476 Y CB 1.623 40.069 38.460 -0.023 0.000 1.195 476 Y HN 0.357 nan 8.280 nan 0.000 0.497 477 V N 2.665 122.573 119.914 -0.010 0.000 2.378 477 V HA 0.613 4.733 4.120 0.000 0.000 0.288 477 V C 0.205 176.174 176.094 -0.209 0.000 1.016 477 V CA -0.842 61.340 62.300 -0.197 0.000 0.840 477 V CB 1.437 33.071 31.823 -0.315 0.000 0.994 477 V HN 0.946 nan 8.190 nan 0.000 0.431 478 G N 4.054 112.727 108.800 -0.211 0.000 3.302 478 G HA2 0.574 4.534 3.960 0.000 0.000 0.338 478 G HA3 0.574 4.534 3.960 0.000 0.000 0.338 478 G C -0.651 174.199 174.900 -0.082 0.000 1.405 478 G CA -0.307 44.739 45.100 -0.089 0.000 1.090 478 G HN 0.355 nan 8.290 nan 0.000 0.482 479 F N 1.872 121.862 119.950 0.067 0.000 2.553 479 F HA 0.424 4.951 4.527 0.000 0.000 0.356 479 F C 1.412 177.241 175.800 0.048 0.000 1.142 479 F CA 0.197 58.232 58.000 0.060 0.000 1.322 479 F CB 0.828 39.859 39.000 0.052 0.000 1.126 479 F HN 0.581 nan 8.300 nan 0.000 0.599 480 A N 2.214 125.198 122.820 0.273 0.000 2.552 480 A HA 0.405 4.725 4.320 0.000 0.000 0.241 480 A C 1.106 178.758 177.584 0.113 0.000 1.103 480 A CA 0.346 52.470 52.037 0.145 0.000 0.789 480 A CB -1.015 18.043 19.000 0.097 0.000 1.050 480 A HN 1.715 nan 8.150 nan 0.000 0.515 481 G N -0.002 108.840 108.800 0.070 0.000 2.569 481 G HA2 -0.311 3.649 3.960 0.000 0.000 0.259 481 G HA3 -0.311 3.649 3.960 0.000 0.000 0.259 481 G C 0.158 175.094 174.900 0.060 0.000 1.263 481 G CA 0.425 45.555 45.100 0.051 0.000 0.928 481 G HN 1.545 nan 8.290 nan 0.000 0.572 482 N N 1.272 120.001 118.700 0.049 0.000 2.602 482 N HA 0.469 5.209 4.740 0.000 0.000 0.238 482 N C 0.097 175.640 175.510 0.055 0.000 1.084 482 N CA -0.403 52.676 53.050 0.050 0.000 0.952 482 N CB -0.058 38.451 38.487 0.037 0.000 1.244 482 N HN 0.590 nan 8.380 nan 0.000 0.512 483 R N 2.400 122.944 120.500 0.073 0.000 2.680 483 R HA 0.451 4.791 4.340 0.000 0.000 0.269 483 R C -2.817 173.532 176.300 0.081 0.000 1.026 483 R CA -1.486 54.663 56.100 0.082 0.000 0.889 483 R CB 1.202 31.582 30.300 0.133 0.000 1.241 483 R HN 0.388 nan 8.270 nan 0.000 0.463 484 P HA 0.302 nan 4.420 nan 0.000 0.274 484 P C -0.140 177.216 177.300 0.093 0.000 1.256 484 P CA -0.444 62.692 63.100 0.059 0.000 0.795 484 P CB 0.750 32.468 31.700 0.030 0.000 1.038 485 I N -2.599 118.030 120.570 0.099 0.000 2.947 485 I HA 0.871 5.041 4.170 0.000 0.000 0.314 485 I C -0.669 175.521 176.117 0.121 0.000 1.028 485 I CA -1.326 60.038 61.300 0.107 0.000 1.077 485 I CB 1.852 39.926 38.000 0.124 0.000 1.274 485 I HN 0.415 nan 8.210 nan 0.000 0.485 486 A N 2.485 125.368 122.820 0.104 0.000 2.574 486 A HA 0.544 4.864 4.320 0.000 0.000 0.297 486 A C -1.252 176.306 177.584 -0.044 0.000 1.062 486 A CA -0.831 51.244 52.037 0.063 0.000 0.686 486 A CB 1.671 20.699 19.000 0.047 0.000 1.285 486 A HN 0.775 nan 8.150 nan 0.000 0.403 487 K N 1.873 122.177 120.400 -0.160 0.000 2.253 487 K HA 0.608 4.928 4.320 0.000 0.000 0.277 487 K C -1.333 175.127 176.600 -0.235 0.000 1.053 487 K CA -0.205 55.803 56.287 -0.466 0.000 0.892 487 K CB 0.839 32.985 32.500 -0.589 0.000 1.102 487 K HN 0.475 nan 8.250 nan 0.000 0.469 488 V N 6.097 125.889 119.914 -0.202 0.000 2.864 488 V HA 0.508 4.628 4.120 0.000 0.000 0.314 488 V C -2.285 173.757 176.094 -0.086 0.000 1.073 488 V CA -1.925 60.315 62.300 -0.100 0.000 0.956 488 V CB 1.899 33.694 31.823 -0.047 0.000 1.023 488 V HN 0.828 nan 8.190 nan 0.000 0.435 489 P HA 0.389 nan 4.420 nan 0.000 0.294 489 P C -1.120 176.175 177.300 -0.008 0.000 1.294 489 P CA -0.393 62.688 63.100 -0.031 0.000 0.827 489 P CB 1.713 33.400 31.700 -0.022 0.000 0.992 490 L N 3.488 124.711 121.223 -0.000 0.000 2.289 490 L HA 0.326 4.666 4.340 0.000 0.000 0.285 490 L C 0.878 177.763 176.870 0.026 0.000 1.049 490 L CA -0.503 54.350 54.840 0.022 0.000 0.804 490 L CB 0.938 43.013 42.059 0.027 0.000 1.195 490 L HN 0.503 nan 8.230 nan 0.000 0.428 491 E N 4.535 124.758 120.200 0.037 0.000 2.207 491 E HA 0.378 4.728 4.350 0.000 0.000 0.270 491 E C -0.827 175.798 176.600 0.041 0.000 0.927 491 E CA -0.868 55.550 56.400 0.029 0.000 0.799 491 E CB 2.064 31.776 29.700 0.020 0.000 1.172 491 E HN 0.504 nan 8.360 nan 0.000 0.404 492 I N 2.839 123.425 120.570 0.026 0.000 2.278 492 I HA 0.085 4.255 4.170 0.000 0.000 0.300 492 I C 0.538 176.649 176.117 -0.010 0.000 1.174 492 I CA -0.203 61.115 61.300 0.032 0.000 1.347 492 I CB -0.287 37.725 38.000 0.020 0.000 1.473 492 I HN 0.412 nan 8.210 nan 0.000 0.595 493 K N 5.023 125.411 120.400 -0.019 0.000 2.270 493 K HA 0.180 4.500 4.320 0.000 0.000 0.276 493 K C -0.161 176.226 176.600 -0.356 0.000 1.023 493 K CA -0.529 55.629 56.287 -0.215 0.000 0.955 493 K CB 0.793 33.114 32.500 -0.297 0.000 0.975 493 K HN 0.392 nan 8.250 nan 0.000 0.471 494 Q N 2.981 122.508 119.800 -0.455 0.000 2.241 494 Q HA 0.293 4.633 4.340 0.000 0.000 0.254 494 Q C -1.067 174.542 176.000 -0.652 0.000 0.917 494 Q CA -0.166 55.418 55.803 -0.365 0.000 0.919 494 Q CB 1.064 29.681 28.738 -0.201 0.000 1.237 494 Q HN 0.418 nan 8.270 nan 0.000 0.434 495 F N 0.348 120.195 119.950 -0.171 0.000 2.518 495 F HA 0.519 5.046 4.527 0.000 0.000 0.323 495 F C 0.331 176.005 175.800 -0.211 0.000 1.129 495 F CA -1.053 56.804 58.000 -0.240 0.000 0.920 495 F CB 1.501 40.280 39.000 -0.370 0.000 1.160 495 F HN 0.493 nan 8.300 nan 0.000 0.440 496 A N 2.822 125.620 122.820 -0.036 0.000 2.388 496 A HA 0.301 4.621 4.320 0.000 0.000 0.257 496 A C -0.007 177.531 177.584 -0.078 0.000 1.095 496 A CA -0.638 51.366 52.037 -0.055 0.000 0.791 496 A CB 0.034 19.004 19.000 -0.050 0.000 1.029 496 A HN 0.884 nan 8.150 nan 0.000 0.489 497 N N 1.194 119.846 118.700 -0.080 0.000 2.416 497 N HA 0.180 4.920 4.740 0.000 0.000 0.265 497 N C 0.422 175.882 175.510 -0.084 0.000 1.195 497 N CA -0.138 52.852 53.050 -0.101 0.000 0.943 497 N CB 0.503 38.939 38.487 -0.085 0.000 1.115 497 N HN 0.668 nan 8.380 nan 0.000 0.481 498 R N 1.964 122.407 120.500 -0.096 0.000 2.831 498 R HA 0.249 4.589 4.340 0.000 0.000 0.337 498 R C -0.469 175.787 176.300 -0.074 0.000 1.200 498 R CA -0.296 55.766 56.100 -0.064 0.000 1.088 498 R CB 0.137 30.416 30.300 -0.034 0.000 1.397 498 R HN 0.552 nan 8.270 nan 0.000 0.581 499 Q N 0.617 120.363 119.800 -0.091 0.000 2.938 499 Q HA 0.115 4.455 4.340 0.000 0.000 0.230 499 Q C -3.022 172.916 176.000 -0.103 0.000 1.008 499 Q CA -1.333 54.410 55.803 -0.100 0.000 0.925 499 Q CB 2.235 30.895 28.738 -0.130 0.000 2.116 499 Q HN 0.143 nan 8.270 nan 0.000 0.515 500 P HA 0.094 nan 4.420 nan 0.000 0.276 500 P C -0.294 176.964 177.300 -0.070 0.000 1.230 500 P CA 0.233 63.291 63.100 -0.070 0.000 0.776 500 P CB 1.309 32.971 31.700 -0.064 0.000 0.888 501 A N 4.015 126.809 122.820 -0.043 0.000 1.930 501 A HA -0.046 4.274 4.320 0.000 0.000 0.217 501 A C 0.670 178.308 177.584 0.090 0.000 1.175 501 A CA 1.267 53.289 52.037 -0.026 0.000 0.627 501 A CB -0.612 18.368 19.000 -0.033 0.000 0.815 501 A HN 0.579 nan 8.150 nan 0.000 0.443 502 F N -1.579 118.324 119.950 -0.077 0.000 2.565 502 F HA 0.576 5.103 4.527 0.000 0.000 0.313 502 F C -1.117 174.662 175.800 -0.035 0.000 1.091 502 F CA -1.588 56.384 58.000 -0.048 0.000 0.915 502 F CB 2.187 41.167 39.000 -0.033 0.000 1.208 502 F HN -0.232 nan 8.300 nan 0.000 0.453 503 V N 4.673 124.146 119.914 -0.735 0.000 2.380 503 V HA 0.199 4.319 4.120 0.000 0.000 0.268 503 V C -0.427 175.138 176.094 -0.881 0.000 1.008 503 V CA -0.774 61.160 62.300 -0.609 0.000 0.823 503 V CB 0.842 32.483 31.823 -0.302 0.000 1.053 503 V HN 0.765 nan 8.190 nan 0.000 0.446 504 E N 2.671 122.278 120.200 -0.988 0.000 2.760 504 E HA 0.184 4.534 4.350 0.000 0.000 0.268 504 E C 0.832 177.266 176.600 -0.278 0.000 0.935 504 E CA 1.192 57.238 56.400 -0.589 0.000 0.960 504 E CB 0.736 30.326 29.700 -0.183 0.000 0.931 504 E HN 0.743 nan 8.360 nan 0.000 0.483 505 G N 0.000 108.727 108.800 -0.121 0.000 5.446 505 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 505 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 505 G CA 0.000 45.064 45.100 -0.059 0.000 0.502 505 G HN 0.000 nan 8.290 nan 0.000 0.925