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 2cvx_1_A DATA FIRST_RESID 76 DATA SEQUENCE TLAARIAISN LHKQTTKQFS KVVEDLYRYV NAATGKPAPM ISDDVYNIVM DATA SEQUENCE ENKDKLNSAI VYDRDFQYSY FGFKTLERSY LLRINGQVAE RPQHLIMRVA DATA SEQUENCE LGIHGRDIEA ALETYNLMSL KYFTHASPTL FNAGTPKPQM SSCFLVAMKE DATA SEQUENCE DSIEGIYDTL KECALISKTA GGIGLHIHNI RSTGSYIAGT NGTSNGLIPM DATA SEQUENCE IRVFNNTARY VDQGGNKRPG AFALYLEPWH ADIFDFIDIR KNHGKEEIRA DATA SEQUENCE RDLFPALWIP DLFMKRVEEN GTWTLFSPTS APGLSDCYGD EFEALYTRYE DATA SEQUENCE KEGRGKTIKA QKLWYSILEA QTETGTPFVV YKDACNRKSN QKNLGVIKSS DATA SEQUENCE NLCCEIVEYS APDETAVCNL ASVALPAFIE TSEDGKTSTY NFKKLHEIAK DATA SEQUENCE VVTRNLNRVI DRNYYPVEEA RKSNMRHRPI ALGVQGLADT FMLLRLPFDS DATA SEQUENCE EEARLLNIQI FETIYHASME ASCELAQKDG PYETFQGSPA SQGILQFDMW DATA SEQUENCE DQKPYGMWDW DTLRKDIMKH GVRNSLTMAP MPTASTSQIL GYNECFEPVT DATA SEQUENCE SNMYSXXXXX XXFQVVNPYL LRDLVDLGIW DEGMKQYLIT QNGSIQGLPN DATA SEQUENCE VPQELKDLYK TVWEISQKTI INMAADRSVY IDQSHSLNLF LRAPTMGKLT DATA SEQUENCE SMHFYGWKKG LKTGMYYLRT Q 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 76 T HA 0.000 nan 4.350 nan 0.000 0.228 76 T C 0.000 174.672 174.700 -0.046 0.000 1.109 76 T CA 0.000 61.958 62.100 -0.238 0.000 1.349 76 T CB 0.000 68.800 68.868 -0.114 0.000 0.612 77 L N 2.275 123.472 121.223 -0.043 0.000 2.307 77 L HA 0.668 5.011 4.340 0.004 0.000 0.211 77 L C 2.684 179.573 176.870 0.031 0.000 1.099 77 L CA 1.971 56.818 54.840 0.011 0.000 0.816 77 L CB -0.506 41.564 42.059 0.018 0.000 0.952 77 L HN 0.463 nan 8.230 nan 0.000 0.455 78 A N -0.074 122.754 122.820 0.013 0.000 2.042 78 A HA -0.245 4.078 4.320 0.004 0.000 0.222 78 A C 2.393 180.016 177.584 0.066 0.000 1.167 78 A CA 1.869 53.931 52.037 0.042 0.000 0.649 78 A CB -0.958 18.027 19.000 -0.025 0.000 0.809 78 A HN 0.562 nan 8.150 nan 0.000 0.457 79 A N -0.303 122.584 122.820 0.112 0.000 1.841 79 A HA -0.111 4.212 4.320 0.004 0.000 0.214 79 A C 2.086 179.724 177.584 0.089 0.000 1.195 79 A CA 1.469 53.563 52.037 0.096 0.000 0.611 79 A CB -0.424 18.678 19.000 0.171 0.000 0.835 79 A HN 0.473 nan 8.150 nan 0.000 0.443 80 R N -0.457 120.132 120.500 0.148 0.000 2.389 80 R HA 0.040 4.382 4.340 0.004 0.000 0.210 80 R C 0.449 176.804 176.300 0.092 0.000 1.157 80 R CA 0.306 56.510 56.100 0.174 0.000 1.169 80 R CB -0.224 30.087 30.300 0.019 0.000 1.004 80 R HN 0.513 nan 8.270 nan 0.000 0.482 81 I N -2.039 118.562 120.570 0.050 0.000 3.674 81 I HA 0.118 4.291 4.170 0.004 0.000 0.248 81 I C 1.943 178.050 176.117 -0.016 0.000 1.134 81 I CA 0.702 62.017 61.300 0.026 0.000 1.519 81 I CB -1.410 36.615 38.000 0.042 0.000 1.598 81 I HN 0.100 nan 8.210 nan 0.000 0.442 82 A N 1.274 124.071 122.820 -0.037 0.000 1.972 82 A HA -0.078 4.244 4.320 0.004 0.000 0.219 82 A C 2.294 179.688 177.584 -0.317 0.000 1.169 82 A CA 1.404 53.409 52.037 -0.054 0.000 0.635 82 A CB -0.728 18.321 19.000 0.081 0.000 0.810 82 A HN 0.397 nan 8.150 nan 0.000 0.446 83 I N -1.069 119.145 120.570 -0.594 0.000 2.233 83 I HA -0.183 3.989 4.170 0.004 0.000 0.243 83 I C 2.808 178.658 176.117 -0.445 0.000 1.093 83 I CA 1.386 62.172 61.300 -0.855 0.000 1.380 83 I CB -0.235 37.155 38.000 -1.018 0.000 1.067 83 I HN 0.387 nan 8.210 nan 0.000 0.413 84 S N 1.137 116.681 115.700 -0.259 0.000 2.383 84 S HA -0.200 4.272 4.470 0.004 0.000 0.229 84 S C 1.862 176.452 174.600 -0.017 0.000 1.030 84 S CA 1.786 59.916 58.200 -0.117 0.000 1.002 84 S CB -0.387 62.822 63.200 0.015 0.000 0.829 84 S HN 0.419 nan 8.310 nan 0.000 0.467 85 N N 1.380 120.074 118.700 -0.009 0.000 2.188 85 N HA -0.072 4.671 4.740 0.004 0.000 0.184 85 N C 1.762 177.319 175.510 0.079 0.000 1.018 85 N CA 1.222 54.298 53.050 0.043 0.000 0.858 85 N CB -0.686 37.832 38.487 0.051 0.000 0.989 85 N HN 0.451 nan 8.380 nan 0.000 0.426 86 L N 1.135 122.411 121.223 0.087 0.000 2.017 86 L HA -0.150 4.192 4.340 0.004 0.000 0.208 86 L C 2.055 179.017 176.870 0.153 0.000 1.073 86 L CA 1.843 56.776 54.840 0.155 0.000 0.745 86 L CB -0.664 41.528 42.059 0.222 0.000 0.894 86 L HN 0.054 nan 8.230 nan 0.000 0.432 87 H N 0.380 119.428 119.070 -0.037 0.000 2.353 87 H HA -0.158 4.401 4.556 0.004 0.000 0.298 87 H C 2.169 177.490 175.328 -0.012 0.000 1.103 87 H CA 2.035 58.061 56.048 -0.037 0.000 1.293 87 H CB -0.220 29.522 29.762 -0.033 0.000 1.372 87 H HN 0.387 nan 8.280 nan 0.000 0.501 88 K N -0.001 120.479 120.400 0.134 0.000 2.211 88 K HA -0.119 4.203 4.320 0.004 0.000 0.203 88 K C 1.556 178.189 176.600 0.055 0.000 1.050 88 K CA 1.266 57.600 56.287 0.078 0.000 0.945 88 K CB 0.083 32.623 32.500 0.067 0.000 0.732 88 K HN 0.401 nan 8.250 nan 0.000 0.451 89 Q N -0.187 119.650 119.800 0.062 0.000 2.282 89 Q HA 0.079 4.422 4.340 0.004 0.000 0.206 89 Q C -0.485 175.541 176.000 0.043 0.000 0.878 89 Q CA 0.217 56.051 55.803 0.051 0.000 0.944 89 Q CB 1.329 30.104 28.738 0.061 0.000 1.100 89 Q HN 0.050 nan 8.270 nan 0.000 0.509 90 T N 0.148 114.722 114.554 0.033 0.000 2.887 90 T HA 0.286 4.639 4.350 0.004 0.000 0.288 90 T C -0.169 174.530 174.700 -0.001 0.000 1.021 90 T CA -0.592 61.523 62.100 0.026 0.000 1.000 90 T CB 1.936 70.828 68.868 0.040 0.000 1.034 90 T HN -0.130 nan 8.240 nan 0.000 0.467 91 T N 2.357 116.915 114.554 0.008 0.000 2.940 91 T HA 0.076 4.429 4.350 0.004 0.000 0.309 91 T C 1.467 176.161 174.700 -0.009 0.000 1.056 91 T CA -0.087 62.007 62.100 -0.010 0.000 1.137 91 T CB 0.862 69.719 68.868 -0.019 0.000 0.976 91 T HN 0.632 nan 8.240 nan 0.000 0.547 92 K N 2.042 122.402 120.400 -0.067 0.000 2.005 92 K HA -0.004 4.319 4.320 0.004 0.000 0.206 92 K C 1.146 177.757 176.600 0.017 0.000 1.044 92 K CA 0.627 56.804 56.287 -0.184 0.000 0.942 92 K CB 0.070 32.441 32.500 -0.214 0.000 0.727 92 K HN 0.615 nan 8.250 nan 0.000 0.439 93 Q N 0.984 120.815 119.800 0.051 0.000 2.262 93 Q HA -0.067 4.276 4.340 0.004 0.000 0.272 93 Q C 0.573 176.629 176.000 0.093 0.000 1.076 93 Q CA -0.279 55.603 55.803 0.132 0.000 0.905 93 Q CB 0.358 29.135 28.738 0.064 0.000 1.182 93 Q HN 0.328 nan 8.270 nan 0.000 0.390 94 F N 3.470 123.464 119.950 0.074 0.000 2.043 94 F HA -0.312 4.218 4.527 0.004 0.000 0.297 94 F C 2.135 177.855 175.800 -0.133 0.000 1.118 94 F CA 2.400 60.334 58.000 -0.110 0.000 1.202 94 F CB -0.623 38.425 39.000 0.080 0.000 0.965 94 F HN 0.726 nan 8.300 nan 0.000 0.482 95 S N -0.730 114.832 115.700 -0.231 0.000 2.465 95 S HA -0.235 4.238 4.470 0.004 0.000 0.241 95 S C 1.944 176.395 174.600 -0.248 0.000 1.000 95 S CA 1.334 59.330 58.200 -0.340 0.000 0.964 95 S CB -0.518 62.597 63.200 -0.142 0.000 0.763 95 S HN 0.474 nan 8.310 nan 0.000 0.512 96 K N 1.406 121.701 120.400 -0.174 0.000 2.166 96 K HA 0.273 4.596 4.320 0.004 0.000 0.201 96 K C 1.828 178.347 176.600 -0.134 0.000 1.052 96 K CA 1.044 57.266 56.287 -0.107 0.000 0.969 96 K CB -0.870 31.597 32.500 -0.056 0.000 0.761 96 K HN 0.233 nan 8.250 nan 0.000 0.459 97 V N 0.539 120.315 119.914 -0.230 0.000 2.343 97 V HA -0.218 3.905 4.120 0.004 0.000 0.247 97 V C 2.234 178.204 176.094 -0.207 0.000 1.051 97 V CA 1.685 63.845 62.300 -0.232 0.000 1.036 97 V CB -0.348 31.240 31.823 -0.392 0.000 0.654 97 V HN 0.109 nan 8.190 nan 0.000 0.451 98 V N -0.051 119.659 119.914 -0.340 0.000 2.287 98 V HA -0.301 3.821 4.120 0.004 0.000 0.248 98 V C 2.526 178.626 176.094 0.011 0.000 1.053 98 V CA 2.376 64.529 62.300 -0.244 0.000 1.027 98 V CB -0.634 30.899 31.823 -0.485 0.000 0.646 98 V HN 0.614 nan 8.190 nan 0.000 0.447 99 E N 0.582 120.806 120.200 0.040 0.000 2.058 99 E HA -0.252 4.101 4.350 0.004 0.000 0.194 99 E C 1.836 178.503 176.600 0.112 0.000 0.997 99 E CA 1.937 58.443 56.400 0.176 0.000 0.801 99 E CB -0.367 29.409 29.700 0.125 0.000 0.746 99 E HN 0.609 nan 8.360 nan 0.000 0.450 100 D N -0.051 120.374 120.400 0.043 0.000 2.092 100 D HA -0.181 4.461 4.640 0.004 0.000 0.193 100 D C 2.120 178.457 176.300 0.062 0.000 0.994 100 D CA 1.236 55.260 54.000 0.041 0.000 0.828 100 D CB -0.405 40.400 40.800 0.008 0.000 0.963 100 D HN 0.248 nan 8.370 nan 0.000 0.450 101 L N -0.439 120.805 121.223 0.035 0.000 2.042 101 L HA -0.224 4.119 4.340 0.004 0.000 0.210 101 L C 2.474 179.401 176.870 0.096 0.000 1.076 101 L CA 1.076 55.935 54.840 0.032 0.000 0.749 101 L CB -0.452 41.612 42.059 0.008 0.000 0.893 101 L HN 0.080 nan 8.230 nan 0.000 0.432 102 Y N 0.429 120.701 120.300 -0.047 0.000 2.314 102 Y HA -0.080 4.473 4.550 0.004 0.000 0.293 102 Y C 2.297 178.118 175.900 -0.131 0.000 1.129 102 Y CA 1.156 59.179 58.100 -0.129 0.000 1.201 102 Y CB 0.091 38.366 38.460 -0.309 0.000 0.999 102 Y HN -0.022 nan 8.280 nan 0.000 0.541 103 R N -0.669 119.788 120.500 -0.072 0.000 2.334 103 R HA -0.005 4.338 4.340 0.004 0.000 0.216 103 R C -0.444 175.807 176.300 -0.081 0.000 0.905 103 R CA -0.270 55.745 56.100 -0.141 0.000 1.064 103 R CB -1.096 29.178 30.300 -0.044 0.000 1.046 103 R HN 0.298 nan 8.270 nan 0.000 0.508 104 Y N 1.050 121.266 120.300 -0.139 0.000 2.712 104 Y HA 0.027 4.579 4.550 0.004 0.000 0.333 104 Y C -0.203 175.627 175.900 -0.116 0.000 1.225 104 Y CA 0.069 58.108 58.100 -0.102 0.000 1.499 104 Y CB 0.635 39.048 38.460 -0.079 0.000 1.288 104 Y HN -0.292 nan 8.280 nan 0.000 0.575 105 V N 7.231 126.617 119.914 -0.879 0.000 2.588 105 V HA 0.150 4.273 4.120 0.004 0.000 0.304 105 V C -0.274 175.190 176.094 -1.050 0.000 1.042 105 V CA -1.491 60.384 62.300 -0.709 0.000 0.877 105 V CB 1.709 33.306 31.823 -0.375 0.000 0.996 105 V HN 0.868 nan 8.190 nan 0.000 0.425 106 N N 3.354 121.655 118.700 -0.664 0.000 2.427 106 N HA 0.090 4.833 4.740 0.004 0.000 0.269 106 N C 1.113 176.477 175.510 -0.242 0.000 1.235 106 N CA 0.476 53.299 53.050 -0.378 0.000 0.934 106 N CB 1.711 40.120 38.487 -0.130 0.000 1.121 106 N HN 0.850 nan 8.380 nan 0.000 0.480 107 A N 4.426 127.132 122.820 -0.191 0.000 1.933 107 A HA -0.113 4.209 4.320 0.004 0.000 0.218 107 A C 2.123 179.662 177.584 -0.075 0.000 1.175 107 A CA 1.701 53.666 52.037 -0.119 0.000 0.628 107 A CB -0.591 18.367 19.000 -0.070 0.000 0.814 107 A HN 0.798 nan 8.150 nan 0.000 0.444 108 A N -1.925 120.864 122.820 -0.052 0.000 2.067 108 A HA -0.001 4.322 4.320 0.004 0.000 0.219 108 A C 2.120 179.679 177.584 -0.041 0.000 1.158 108 A CA 2.203 54.219 52.037 -0.035 0.000 0.661 108 A CB -0.527 18.461 19.000 -0.019 0.000 0.801 108 A HN 0.512 nan 8.150 nan 0.000 0.452 109 T N -3.232 111.288 114.554 -0.056 0.000 3.016 109 T HA 0.385 4.738 4.350 0.004 0.000 0.271 109 T C 1.102 175.761 174.700 -0.068 0.000 0.968 109 T CA 1.191 63.259 62.100 -0.054 0.000 0.891 109 T CB -0.241 68.598 68.868 -0.048 0.000 1.149 109 T HN 1.534 nan 8.240 nan 0.000 0.524 110 G N 2.172 110.917 108.800 -0.091 0.000 2.179 110 G HA2 -0.261 3.701 3.960 0.004 0.000 0.257 110 G HA3 -0.261 3.701 3.960 0.004 0.000 0.257 110 G C -0.043 174.788 174.900 -0.115 0.000 1.010 110 G CA 0.727 45.765 45.100 -0.104 0.000 0.736 110 G HN 0.681 nan 8.290 nan 0.000 0.513 111 K N 0.822 121.148 120.400 -0.123 0.000 2.201 111 K HA 0.516 4.839 4.320 0.004 0.000 0.278 111 K C -2.312 174.191 176.600 -0.161 0.000 1.027 111 K CA -2.219 53.998 56.287 -0.117 0.000 0.909 111 K CB 1.158 33.605 32.500 -0.088 0.000 1.062 111 K HN -0.033 nan 8.250 nan 0.000 0.465 112 P HA 0.029 nan 4.420 nan 0.000 0.265 112 P C -1.385 175.826 177.300 -0.150 0.000 1.222 112 P CA 0.001 62.993 63.100 -0.180 0.000 0.767 112 P CB 1.047 32.648 31.700 -0.166 0.000 0.801 113 A N 5.806 128.543 122.820 -0.138 0.000 3.218 113 A HA 0.422 4.745 4.320 0.004 0.000 0.321 113 A C -2.365 175.271 177.584 0.086 0.000 1.012 113 A CA -1.485 50.554 52.037 0.002 0.000 0.948 113 A CB -0.008 19.056 19.000 0.106 0.000 1.050 113 A HN 0.294 nan 8.150 nan 0.000 0.492 114 P HA 0.092 nan 4.420 nan 0.000 0.268 114 P C 0.380 177.681 177.300 0.001 0.000 1.204 114 P CA 0.276 63.311 63.100 -0.108 0.000 0.768 114 P CB 0.688 32.192 31.700 -0.328 0.000 0.842 115 M N 2.016 121.636 119.600 0.034 0.000 2.371 115 M HA 0.227 4.709 4.480 0.004 0.000 0.246 115 M C 0.111 176.449 176.300 0.064 0.000 1.103 115 M CA 0.349 55.658 55.300 0.017 0.000 1.010 115 M CB 0.345 32.913 32.600 -0.054 0.000 1.457 115 M HN 0.186 nan 8.290 nan 0.000 0.486 116 I N 0.560 121.217 120.570 0.144 0.000 2.582 116 I HA 0.246 4.419 4.170 0.004 0.000 0.292 116 I C 0.455 176.717 176.117 0.241 0.000 1.066 116 I CA -0.692 60.718 61.300 0.183 0.000 1.053 116 I CB 1.973 40.091 38.000 0.197 0.000 1.241 116 I HN 0.083 nan 8.210 nan 0.000 0.421 117 S N 3.275 119.067 115.700 0.153 0.000 2.579 117 S HA 0.086 4.558 4.470 0.004 0.000 0.275 117 S C 0.743 175.453 174.600 0.182 0.000 1.345 117 S CA -0.309 57.977 58.200 0.144 0.000 1.031 117 S CB 1.043 64.293 63.200 0.084 0.000 0.892 117 S HN 0.540 nan 8.310 nan 0.000 0.529 118 D N 1.420 121.945 120.400 0.208 0.000 2.149 118 D HA -0.166 4.476 4.640 0.004 0.000 0.194 118 D C 1.415 177.773 176.300 0.096 0.000 1.001 118 D CA 1.992 56.102 54.000 0.184 0.000 0.849 118 D CB -0.540 40.359 40.800 0.166 0.000 0.939 118 D HN 0.878 nan 8.370 nan 0.000 0.449 119 D N -0.051 120.397 120.400 0.080 0.000 2.084 119 D HA -0.125 4.518 4.640 0.004 0.000 0.194 119 D C 2.009 178.328 176.300 0.032 0.000 0.990 119 D CA 1.008 55.040 54.000 0.053 0.000 0.826 119 D CB 0.012 40.845 40.800 0.056 0.000 0.971 119 D HN 0.000 nan 8.370 nan 0.000 0.453 120 V N -0.032 119.908 119.914 0.043 0.000 2.427 120 V HA -0.185 3.938 4.120 0.004 0.000 0.248 120 V C 2.093 178.173 176.094 -0.023 0.000 1.051 120 V CA 1.611 63.931 62.300 0.032 0.000 1.048 120 V CB -0.885 30.977 31.823 0.065 0.000 0.666 120 V HN 0.318 nan 8.190 nan 0.000 0.456 121 Y N 2.144 122.321 120.300 -0.204 0.000 2.128 121 Y HA -0.254 4.299 4.550 0.004 0.000 0.284 121 Y C 2.522 178.252 175.900 -0.283 0.000 1.154 121 Y CA 2.111 59.973 58.100 -0.397 0.000 1.149 121 Y CB -0.378 37.492 38.460 -0.983 0.000 0.976 121 Y HN 0.278 nan 8.280 nan 0.000 0.505 122 N N 0.613 119.178 118.700 -0.225 0.000 2.166 122 N HA -0.180 4.563 4.740 0.004 0.000 0.186 122 N C 1.973 177.367 175.510 -0.193 0.000 1.019 122 N CA 1.896 54.812 53.050 -0.223 0.000 0.856 122 N CB -0.462 37.993 38.487 -0.054 0.000 0.993 122 N HN 0.475 nan 8.380 nan 0.000 0.426 123 I N 0.582 121.082 120.570 -0.117 0.000 2.163 123 I HA -0.237 3.936 4.170 0.004 0.000 0.243 123 I C 2.098 178.159 176.117 -0.094 0.000 1.085 123 I CA 0.897 62.155 61.300 -0.070 0.000 1.347 123 I CB -0.353 37.640 38.000 -0.012 0.000 1.044 123 I HN -0.090 nan 8.210 nan 0.000 0.408 124 V N 0.326 120.156 119.914 -0.141 0.000 2.343 124 V HA -0.268 3.855 4.120 0.004 0.000 0.247 124 V C 2.514 178.481 176.094 -0.211 0.000 1.051 124 V CA 1.487 63.709 62.300 -0.131 0.000 1.036 124 V CB -0.511 31.189 31.823 -0.204 0.000 0.654 124 V HN 0.372 nan 8.190 nan 0.000 0.451 125 M N -0.221 119.156 119.600 -0.371 0.000 2.175 125 M HA -0.123 4.360 4.480 0.004 0.000 0.264 125 M C 2.010 178.199 176.300 -0.186 0.000 1.063 125 M CA 1.505 56.598 55.300 -0.346 0.000 1.119 125 M CB -1.139 31.150 32.600 -0.519 0.000 1.377 125 M HN 0.445 nan 8.290 nan 0.000 0.415 126 E N -0.107 120.001 120.200 -0.152 0.000 2.511 126 E HA -0.070 4.282 4.350 0.004 0.000 0.196 126 E C 0.136 176.700 176.600 -0.060 0.000 1.066 126 E CA 0.374 56.721 56.400 -0.088 0.000 0.871 126 E CB -0.162 29.496 29.700 -0.070 0.000 0.863 126 E HN 0.599 nan 8.360 nan 0.000 0.520 127 N N -0.190 118.475 118.700 -0.058 0.000 2.390 127 N HA 0.002 4.744 4.740 0.004 0.000 0.259 127 N C 0.668 176.169 175.510 -0.014 0.000 1.395 127 N CA -0.105 52.928 53.050 -0.029 0.000 0.852 127 N CB 0.638 39.115 38.487 -0.017 0.000 1.371 127 N HN 0.034 nan 8.380 nan 0.000 0.491 128 K N 0.136 120.519 120.400 -0.027 0.000 2.026 128 K HA -0.108 4.215 4.320 0.004 0.000 0.208 128 K C 0.492 177.104 176.600 0.020 0.000 1.048 128 K CA 1.422 57.707 56.287 -0.003 0.000 0.929 128 K CB -0.036 32.443 32.500 -0.035 0.000 0.713 128 K HN -0.048 nan 8.250 nan 0.000 0.439 129 D N 1.378 121.781 120.400 0.004 0.000 2.092 129 D HA -0.156 4.486 4.640 0.004 0.000 0.193 129 D C 1.890 178.192 176.300 0.002 0.000 0.994 129 D CA 1.306 55.311 54.000 0.008 0.000 0.828 129 D CB -0.162 40.639 40.800 0.000 0.000 0.963 129 D HN 0.320 nan 8.370 nan 0.000 0.450 130 K N 0.127 120.522 120.400 -0.009 0.000 1.991 130 K HA -0.134 4.188 4.320 0.004 0.000 0.212 130 K C 2.065 178.637 176.600 -0.047 0.000 1.049 130 K CA 0.793 57.065 56.287 -0.025 0.000 0.932 130 K CB -0.077 32.408 32.500 -0.025 0.000 0.717 130 K HN -0.012 nan 8.250 nan 0.000 0.441 131 L N 1.786 122.988 121.223 -0.034 0.000 2.017 131 L HA -0.192 4.151 4.340 0.004 0.000 0.208 131 L C 2.096 178.907 176.870 -0.099 0.000 1.073 131 L CA 1.619 56.407 54.840 -0.086 0.000 0.745 131 L CB -1.793 40.282 42.059 0.026 0.000 0.894 131 L HN 0.288 nan 8.230 nan 0.000 0.432 132 N N 0.111 118.838 118.700 0.046 0.000 2.061 132 N HA -0.176 4.567 4.740 0.004 0.000 0.193 132 N C 2.033 177.548 175.510 0.007 0.000 1.030 132 N CA 1.820 54.925 53.050 0.090 0.000 0.856 132 N CB -0.268 38.291 38.487 0.120 0.000 1.023 132 N HN 0.465 nan 8.380 nan 0.000 0.424 133 S N -0.398 115.291 115.700 -0.017 0.000 2.461 133 S HA 0.183 4.656 4.470 0.004 0.000 0.228 133 S C 1.965 176.518 174.600 -0.078 0.000 1.005 133 S CA 0.629 58.815 58.200 -0.024 0.000 0.942 133 S CB -0.135 63.060 63.200 -0.007 0.000 0.776 133 S HN 0.323 nan 8.310 nan 0.000 0.514 134 A N 1.470 124.204 122.820 -0.143 0.000 2.067 134 A HA 0.281 4.604 4.320 0.004 0.000 0.219 134 A C 1.031 178.446 177.584 -0.281 0.000 1.158 134 A CA 0.406 52.331 52.037 -0.187 0.000 0.661 134 A CB -0.669 18.195 19.000 -0.227 0.000 0.801 134 A HN 0.619 nan 8.150 nan 0.000 0.452 135 I N 1.223 121.545 120.570 -0.415 0.000 2.416 135 I HA 0.121 4.294 4.170 0.004 0.000 0.288 135 I C -0.764 175.117 176.117 -0.394 0.000 1.051 135 I CA -0.260 60.688 61.300 -0.588 0.000 1.375 135 I CB 1.501 39.028 38.000 -0.789 0.000 1.407 135 I HN -0.123 nan 8.210 nan 0.000 0.516 136 V N 7.842 127.648 119.914 -0.179 0.000 2.304 136 V HA 0.090 4.212 4.120 0.004 0.000 0.269 136 V C 0.254 176.284 176.094 -0.106 0.000 1.036 136 V CA -0.332 61.916 62.300 -0.087 0.000 0.840 136 V CB 0.192 32.030 31.823 0.024 0.000 1.036 136 V HN 0.616 nan 8.190 nan 0.000 0.466 137 Y N 0.772 121.135 120.300 0.106 0.000 2.509 137 Y HA -0.130 4.422 4.550 0.004 0.000 0.293 137 Y C 2.165 178.211 175.900 0.243 0.000 1.133 137 Y CA 0.925 59.101 58.100 0.127 0.000 1.283 137 Y CB -0.060 38.455 38.460 0.091 0.000 1.001 137 Y HN 0.586 nan 8.280 nan 0.000 0.555 138 D N 0.662 121.262 120.400 0.332 0.000 2.221 138 D HA -0.159 4.484 4.640 0.004 0.000 0.204 138 D C 1.754 178.237 176.300 0.303 0.000 0.982 138 D CA 1.121 55.326 54.000 0.340 0.000 0.857 138 D CB -0.005 40.894 40.800 0.165 0.000 0.934 138 D HN 0.246 nan 8.370 nan 0.000 0.475 139 R N -0.005 120.582 120.500 0.145 0.000 2.280 139 R HA -0.045 4.298 4.340 0.004 0.000 0.207 139 R C 1.103 177.401 176.300 -0.004 0.000 1.043 139 R CA 0.627 56.740 56.100 0.021 0.000 1.006 139 R CB 0.068 30.334 30.300 -0.056 0.000 0.885 139 R HN 0.176 nan 8.270 nan 0.000 0.467 140 D N -0.003 120.443 120.400 0.076 0.000 2.309 140 D HA -0.136 4.507 4.640 0.004 0.000 0.212 140 D C 0.543 176.716 176.300 -0.212 0.000 0.968 140 D CA 1.106 55.111 54.000 0.007 0.000 0.882 140 D CB 0.029 40.828 40.800 -0.001 0.000 0.918 140 D HN 0.216 nan 8.370 nan 0.000 0.503 141 F N 0.505 120.432 119.950 -0.039 0.000 2.660 141 F HA 0.153 4.683 4.527 0.004 0.000 0.302 141 F C 2.075 177.766 175.800 -0.181 0.000 1.103 141 F CA -0.118 57.822 58.000 -0.101 0.000 1.340 141 F CB 0.250 39.189 39.000 -0.101 0.000 1.048 141 F HN -0.201 nan 8.300 nan 0.000 0.551 142 Q N -0.488 119.179 119.800 -0.223 0.000 2.378 142 Q HA -0.024 4.318 4.340 0.004 0.000 0.205 142 Q C -0.323 175.354 176.000 -0.538 0.000 0.954 142 Q CA 0.665 56.208 55.803 -0.433 0.000 0.901 142 Q CB -0.024 28.331 28.738 -0.638 0.000 0.981 142 Q HN 0.428 nan 8.270 nan 0.000 0.483 143 Y N 0.886 121.098 120.300 -0.147 0.000 2.320 143 Y HA 0.113 4.665 4.550 0.004 0.000 0.334 143 Y C 1.107 176.875 175.900 -0.219 0.000 1.055 143 Y CA -0.820 57.155 58.100 -0.209 0.000 1.143 143 Y CB 1.003 39.377 38.460 -0.144 0.000 1.193 143 Y HN -0.077 nan 8.280 nan 0.000 0.477 144 S N 2.468 118.022 115.700 -0.243 0.000 2.640 144 S HA 0.089 4.561 4.470 0.004 0.000 0.262 144 S C 0.886 175.279 174.600 -0.345 0.000 1.232 144 S CA -0.347 57.602 58.200 -0.417 0.000 0.988 144 S CB 0.130 62.782 63.200 -0.914 0.000 1.034 144 S HN 0.685 nan 8.310 nan 0.000 0.569 145 Y N 0.355 120.598 120.300 -0.095 0.000 2.070 145 Y HA -0.030 4.522 4.550 0.004 0.000 0.279 145 Y C 2.370 178.262 175.900 -0.014 0.000 1.134 145 Y CA 1.168 59.252 58.100 -0.026 0.000 1.113 145 Y CB -1.357 37.066 38.460 -0.063 0.000 0.981 145 Y HN 0.689 nan 8.280 nan 0.000 0.487 146 F N 1.078 120.958 119.950 -0.118 0.000 2.293 146 F HA 0.251 4.781 4.527 0.004 0.000 0.300 146 F C 2.116 177.838 175.800 -0.131 0.000 1.086 146 F CA 0.299 58.236 58.000 -0.105 0.000 1.375 146 F CB -1.233 37.700 39.000 -0.112 0.000 1.045 146 F HN 0.042 nan 8.300 nan 0.000 0.516 147 G N 0.649 108.838 108.800 -1.017 0.000 2.433 147 G HA2 -0.287 3.676 3.960 0.004 0.000 0.216 147 G HA3 -0.287 3.676 3.960 0.004 0.000 0.216 147 G C 1.560 176.253 174.900 -0.346 0.000 1.186 147 G CA 0.922 45.593 45.100 -0.714 0.000 0.779 147 G HN 0.479 nan 8.290 nan 0.000 0.543 148 F N 1.486 121.242 119.950 -0.323 0.000 2.234 148 F HA 0.142 4.671 4.527 0.004 0.000 0.299 148 F C 2.428 178.140 175.800 -0.148 0.000 1.087 148 F CA 1.306 59.166 58.000 -0.232 0.000 1.340 148 F CB 0.122 39.038 39.000 -0.140 0.000 1.031 148 F HN -0.102 nan 8.300 nan 0.000 0.500 149 K N 0.261 120.498 120.400 -0.272 0.000 2.148 149 K HA -0.069 4.254 4.320 0.004 0.000 0.204 149 K C 2.007 178.467 176.600 -0.234 0.000 1.050 149 K CA 1.571 57.686 56.287 -0.286 0.000 0.942 149 K CB -1.039 31.439 32.500 -0.038 0.000 0.724 149 K HN 0.309 nan 8.250 nan 0.000 0.446 150 T N 2.166 116.619 114.554 -0.168 0.000 2.737 150 T HA -0.056 4.296 4.350 0.004 0.000 0.265 150 T C 2.064 176.751 174.700 -0.021 0.000 1.038 150 T CA 0.866 62.931 62.100 -0.058 0.000 1.144 150 T CB -0.163 68.667 68.868 -0.063 0.000 0.866 150 T HN 0.085 nan 8.240 nan 0.000 0.434 151 L N 0.621 121.707 121.223 -0.227 0.000 2.017 151 L HA -0.117 4.226 4.340 0.004 0.000 0.208 151 L C 2.888 179.672 176.870 -0.143 0.000 1.073 151 L CA 1.503 56.231 54.840 -0.187 0.000 0.745 151 L CB -0.449 41.374 42.059 -0.392 0.000 0.894 151 L HN 0.331 nan 8.230 nan 0.000 0.432 152 E N 0.047 119.989 120.200 -0.431 0.000 2.058 152 E HA -0.306 4.047 4.350 0.004 0.000 0.194 152 E C 2.282 178.784 176.600 -0.163 0.000 0.997 152 E CA 1.466 57.634 56.400 -0.387 0.000 0.801 152 E CB 0.086 29.387 29.700 -0.664 0.000 0.746 152 E HN 0.194 nan 8.360 nan 0.000 0.450 153 R N 0.269 120.695 120.500 -0.122 0.000 2.081 153 R HA -0.069 4.274 4.340 0.004 0.000 0.235 153 R C 1.803 178.074 176.300 -0.047 0.000 1.131 153 R CA 2.409 58.473 56.100 -0.060 0.000 0.960 153 R CB -0.110 30.172 30.300 -0.030 0.000 0.856 153 R HN 0.126 nan 8.270 nan 0.000 0.436 154 S N -2.418 113.286 115.700 0.007 0.000 2.649 154 S HA 0.223 4.695 4.470 0.004 0.000 0.246 154 S C 0.929 175.427 174.600 -0.170 0.000 1.057 154 S CA -0.498 57.631 58.200 -0.118 0.000 1.051 154 S CB 0.006 63.117 63.200 -0.148 0.000 1.018 154 S HN 0.249 nan 8.310 nan 0.000 0.569 155 Y N 1.844 122.202 120.300 0.096 0.000 2.472 155 Y HA 0.480 5.033 4.550 0.004 0.000 0.288 155 Y C 0.740 176.692 175.900 0.087 0.000 1.154 155 Y CA -0.658 57.553 58.100 0.186 0.000 1.238 155 Y CB -0.257 38.255 38.460 0.088 0.000 1.287 155 Y HN 0.048 nan 8.280 nan 0.000 0.524 156 L N 2.708 124.027 121.223 0.160 0.000 2.559 156 L HA -0.038 4.305 4.340 0.004 0.000 0.274 156 L C -0.179 176.717 176.870 0.044 0.000 1.205 156 L CA 0.095 54.988 54.840 0.089 0.000 0.907 156 L CB -0.071 42.014 42.059 0.044 0.000 1.153 156 L HN 0.135 nan 8.230 nan 0.000 0.490 157 L N 4.750 126.001 121.223 0.047 0.000 2.506 157 L HA 0.130 4.473 4.340 0.004 0.000 0.281 157 L C 0.569 177.408 176.870 -0.051 0.000 1.228 157 L CA 0.350 55.181 54.840 -0.015 0.000 0.850 157 L CB 0.065 42.117 42.059 -0.012 0.000 1.110 157 L HN 0.634 nan 8.230 nan 0.000 0.496 158 R N 2.472 122.906 120.500 -0.111 0.000 2.740 158 R HA 0.473 4.816 4.340 0.004 0.000 0.282 158 R C 0.355 176.519 176.300 -0.226 0.000 0.969 158 R CA -0.737 55.289 56.100 -0.123 0.000 0.918 158 R CB 2.103 32.341 30.300 -0.104 0.000 1.175 158 R HN 0.554 nan 8.270 nan 0.000 0.464 159 I N 0.464 120.924 120.570 -0.183 0.000 2.726 159 I HA 0.009 4.181 4.170 0.004 0.000 0.243 159 I C 0.405 176.466 176.117 -0.094 0.000 1.082 159 I CA 0.361 61.504 61.300 -0.262 0.000 1.447 159 I CB 0.273 38.220 38.000 -0.088 0.000 1.250 159 I HN 0.419 nan 8.210 nan 0.000 0.453 160 N N 0.867 119.573 118.700 0.010 0.000 2.813 160 N HA 0.220 4.963 4.740 0.004 0.000 0.282 160 N C 0.399 175.916 175.510 0.013 0.000 1.748 160 N CA 0.580 53.662 53.050 0.052 0.000 0.860 160 N CB 1.468 40.006 38.487 0.085 0.000 1.204 160 N HN 0.493 nan 8.380 nan 0.000 0.490 161 G N 1.012 109.802 108.800 -0.016 0.000 2.228 161 G HA2 -0.333 3.629 3.960 0.004 0.000 0.270 161 G HA3 -0.333 3.629 3.960 0.004 0.000 0.270 161 G C 0.297 175.188 174.900 -0.016 0.000 0.976 161 G CA 0.499 45.587 45.100 -0.020 0.000 0.636 161 G HN 0.526 nan 8.290 nan 0.000 0.542 162 Q N 0.146 119.940 119.800 -0.010 0.000 2.241 162 Q HA 0.578 4.920 4.340 0.004 0.000 0.254 162 Q C 0.378 176.372 176.000 -0.010 0.000 0.917 162 Q CA -0.758 55.045 55.803 -0.000 0.000 0.919 162 Q CB 1.570 30.316 28.738 0.014 0.000 1.237 162 Q HN 0.182 nan 8.270 nan 0.000 0.434 163 V N 3.841 123.758 119.914 0.004 0.000 2.493 163 V HA 0.019 4.142 4.120 0.004 0.000 0.292 163 V C 0.743 176.852 176.094 0.025 0.000 1.016 163 V CA 1.045 63.352 62.300 0.011 0.000 1.097 163 V CB 0.590 32.431 31.823 0.031 0.000 0.947 163 V HN 1.012 nan 8.190 nan 0.000 0.479 164 A N 4.367 127.195 122.820 0.014 0.000 2.063 164 A HA 0.217 4.540 4.320 0.004 0.000 0.211 164 A C 0.875 178.505 177.584 0.077 0.000 1.177 164 A CA 0.136 52.185 52.037 0.020 0.000 0.759 164 A CB 0.115 19.100 19.000 -0.025 0.000 0.857 164 A HN 0.761 nan 8.150 nan 0.000 0.468 165 E N 0.233 120.503 120.200 0.117 0.000 2.214 165 E HA 0.448 4.800 4.350 0.004 0.000 0.274 165 E C -0.622 176.123 176.600 0.242 0.000 0.977 165 E CA -0.662 55.882 56.400 0.240 0.000 0.827 165 E CB 1.294 31.117 29.700 0.205 0.000 1.130 165 E HN 0.331 nan 8.360 nan 0.000 0.394 166 R N 2.363 123.049 120.500 0.311 0.000 2.532 166 R HA 0.191 4.534 4.340 0.004 0.000 0.272 166 R C -1.764 174.581 176.300 0.074 0.000 1.032 166 R CA -1.784 54.358 56.100 0.069 0.000 1.089 166 R CB 0.223 30.400 30.300 -0.204 0.000 1.098 166 R HN 0.275 nan 8.270 nan 0.000 0.526 167 P HA -0.243 nan 4.420 nan 0.000 0.216 167 P C 0.875 178.231 177.300 0.093 0.000 1.157 167 P CA 1.346 64.474 63.100 0.046 0.000 0.880 167 P CB 0.227 31.949 31.700 0.037 0.000 0.791 168 Q N -1.261 118.584 119.800 0.075 0.000 2.135 168 Q HA -0.210 4.133 4.340 0.004 0.000 0.204 168 Q C 2.163 178.226 176.000 0.106 0.000 0.981 168 Q CA 1.784 57.636 55.803 0.081 0.000 0.856 168 Q CB -1.342 27.338 28.738 -0.097 0.000 0.902 168 Q HN 0.602 nan 8.270 nan 0.000 0.425 169 H N 0.007 119.203 119.070 0.210 0.000 2.326 169 H HA -0.055 4.503 4.556 0.004 0.000 0.301 169 H C 2.056 177.535 175.328 0.251 0.000 1.081 169 H CA 0.583 56.802 56.048 0.285 0.000 1.334 169 H CB 0.024 30.008 29.762 0.369 0.000 1.385 169 H HN 0.066 nan 8.280 nan 0.000 0.504 170 L N 1.681 123.086 121.223 0.303 0.000 1.990 170 L HA -0.209 4.133 4.340 0.004 0.000 0.213 170 L C 2.010 178.986 176.870 0.177 0.000 1.072 170 L CA 1.751 56.716 54.840 0.209 0.000 0.755 170 L CB -1.060 41.080 42.059 0.136 0.000 0.889 170 L HN 0.365 nan 8.230 nan 0.000 0.432 171 I N -0.603 120.061 120.570 0.156 0.000 2.163 171 I HA -0.355 3.818 4.170 0.004 0.000 0.243 171 I C 2.603 178.828 176.117 0.180 0.000 1.085 171 I CA 1.729 63.117 61.300 0.145 0.000 1.347 171 I CB -0.352 37.721 38.000 0.122 0.000 1.044 171 I HN 0.344 nan 8.210 nan 0.000 0.408 172 M N 0.872 120.554 119.600 0.136 0.000 2.175 172 M HA -0.184 4.299 4.480 0.004 0.000 0.264 172 M C 2.330 178.673 176.300 0.072 0.000 1.063 172 M CA 1.692 56.943 55.300 -0.081 0.000 1.119 172 M CB -0.630 31.501 32.600 -0.782 0.000 1.377 172 M HN 0.017 nan 8.290 nan 0.000 0.415 173 R N -0.647 119.997 120.500 0.239 0.000 2.080 173 R HA -0.145 4.198 4.340 0.004 0.000 0.236 173 R C 1.822 178.219 176.300 0.163 0.000 1.137 173 R CA 2.207 58.473 56.100 0.277 0.000 0.943 173 R CB -0.681 29.786 30.300 0.279 0.000 0.846 173 R HN 0.334 nan 8.270 nan 0.000 0.431 174 V N 1.344 121.335 119.914 0.129 0.000 2.287 174 V HA -0.285 3.838 4.120 0.004 0.000 0.248 174 V C 2.583 178.709 176.094 0.053 0.000 1.053 174 V CA 2.069 64.408 62.300 0.066 0.000 1.027 174 V CB -0.902 30.950 31.823 0.048 0.000 0.646 174 V HN 0.614 nan 8.190 nan 0.000 0.447 175 A N -0.573 122.315 122.820 0.113 0.000 1.902 175 A HA -0.161 4.162 4.320 0.004 0.000 0.217 175 A C 2.083 179.787 177.584 0.199 0.000 1.181 175 A CA 1.783 53.932 52.037 0.187 0.000 0.623 175 A CB -0.482 18.643 19.000 0.209 0.000 0.818 175 A HN 0.417 nan 8.150 nan 0.000 0.443 176 L N -0.371 120.940 121.223 0.145 0.000 2.131 176 L HA 0.036 4.379 4.340 0.004 0.000 0.206 176 L C 2.711 179.636 176.870 0.092 0.000 1.087 176 L CA 1.645 56.565 54.840 0.133 0.000 0.767 176 L CB -1.548 40.600 42.059 0.148 0.000 0.917 176 L HN 0.389 nan 8.230 nan 0.000 0.441 177 G N -0.586 108.256 108.800 0.070 0.000 2.450 177 G HA2 -0.225 3.738 3.960 0.004 0.000 0.220 177 G HA3 -0.225 3.738 3.960 0.004 0.000 0.220 177 G C 1.696 176.581 174.900 -0.025 0.000 1.130 177 G CA 0.957 46.076 45.100 0.032 0.000 0.760 177 G HN 0.382 nan 8.290 nan 0.000 0.557 178 I N -0.792 119.721 120.570 -0.096 0.000 2.339 178 I HA 0.007 4.180 4.170 0.004 0.000 0.245 178 I C 2.356 178.319 176.117 -0.257 0.000 1.096 178 I CA 0.749 61.899 61.300 -0.251 0.000 1.408 178 I CB -0.124 37.595 38.000 -0.468 0.000 1.092 178 I HN 0.124 nan 8.210 nan 0.000 0.423 179 H N 0.415 119.502 119.070 0.028 0.000 2.582 179 H HA 0.202 4.761 4.556 0.004 0.000 0.269 179 H C 1.587 176.934 175.328 0.030 0.000 0.962 179 H CA 0.837 56.904 56.048 0.032 0.000 1.230 179 H CB 0.158 29.942 29.762 0.038 0.000 1.445 179 H HN 0.392 nan 8.280 nan 0.000 0.528 180 G N 2.098 110.977 108.800 0.131 0.000 2.591 180 G HA2 -0.393 3.570 3.960 0.004 0.000 0.298 180 G HA3 -0.393 3.570 3.960 0.004 0.000 0.298 180 G C 1.252 176.199 174.900 0.078 0.000 1.195 180 G CA 0.495 45.647 45.100 0.087 0.000 0.989 180 G HN 0.309 nan 8.290 nan 0.000 0.551 181 R N 1.439 121.973 120.500 0.058 0.000 2.241 181 R HA -0.013 4.329 4.340 0.004 0.000 0.224 181 R C 1.019 177.340 176.300 0.035 0.000 1.101 181 R CA 0.958 57.081 56.100 0.038 0.000 0.995 181 R CB -0.695 29.622 30.300 0.029 0.000 0.870 181 R HN 0.544 nan 8.270 nan 0.000 0.463 182 D N 1.005 121.436 120.400 0.052 0.000 2.498 182 D HA 0.016 4.658 4.640 0.004 0.000 0.229 182 D C 0.975 177.279 176.300 0.006 0.000 1.188 182 D CA -0.065 53.953 54.000 0.030 0.000 1.028 182 D CB 0.031 40.860 40.800 0.047 0.000 1.087 182 D HN -0.064 nan 8.370 nan 0.000 0.510 183 I N 2.469 123.036 120.570 -0.004 0.000 2.315 183 I HA -0.188 3.985 4.170 0.004 0.000 0.248 183 I C 2.280 178.370 176.117 -0.045 0.000 1.117 183 I CA 0.815 62.106 61.300 -0.015 0.000 1.404 183 I CB 0.059 38.052 38.000 -0.012 0.000 1.071 183 I HN 0.288 nan 8.210 nan 0.000 0.419 184 E N 0.674 120.843 120.200 -0.051 0.000 2.077 184 E HA -0.218 4.135 4.350 0.004 0.000 0.193 184 E C 2.401 178.931 176.600 -0.116 0.000 0.989 184 E CA 1.514 57.876 56.400 -0.064 0.000 0.800 184 E CB -0.582 29.089 29.700 -0.049 0.000 0.746 184 E HN 0.512 nan 8.360 nan 0.000 0.452 185 A N 1.619 124.328 122.820 -0.185 0.000 1.933 185 A HA -0.091 4.232 4.320 0.004 0.000 0.218 185 A C 2.442 179.669 177.584 -0.594 0.000 1.175 185 A CA 2.100 53.886 52.037 -0.418 0.000 0.628 185 A CB -0.558 18.128 19.000 -0.522 0.000 0.814 185 A HN 0.274 nan 8.150 nan 0.000 0.444 186 A N -0.760 121.859 122.820 -0.335 0.000 1.898 186 A HA 0.018 4.341 4.320 0.004 0.000 0.216 186 A C 1.996 179.587 177.584 0.013 0.000 1.181 186 A CA 1.638 53.640 52.037 -0.058 0.000 0.620 186 A CB -0.490 18.550 19.000 0.067 0.000 0.819 186 A HN 0.385 nan 8.150 nan 0.000 0.442 187 L N 0.014 121.225 121.223 -0.020 0.000 2.046 187 L HA -0.147 4.196 4.340 0.004 0.000 0.208 187 L C 2.395 179.299 176.870 0.056 0.000 1.077 187 L CA 2.222 57.078 54.840 0.027 0.000 0.747 187 L CB -1.056 40.995 42.059 -0.013 0.000 0.896 187 L HN 0.662 nan 8.230 nan 0.000 0.432 188 E N -1.086 119.108 120.200 -0.009 0.000 2.058 188 E HA -0.234 4.119 4.350 0.004 0.000 0.194 188 E C 1.899 178.533 176.600 0.057 0.000 0.997 188 E CA 1.951 58.350 56.400 -0.002 0.000 0.801 188 E CB 0.059 29.735 29.700 -0.040 0.000 0.746 188 E HN 0.415 nan 8.360 nan 0.000 0.450 189 T N 0.003 114.617 114.554 0.101 0.000 2.746 189 T HA -0.190 4.163 4.350 0.004 0.000 0.267 189 T C 1.434 176.194 174.700 0.099 0.000 1.039 189 T CA 1.386 63.629 62.100 0.238 0.000 1.142 189 T CB -0.518 68.607 68.868 0.429 0.000 0.866 189 T HN 0.370 nan 8.240 nan 0.000 0.444 190 Y N 2.906 123.208 120.300 0.004 0.000 2.128 190 Y HA -0.219 4.334 4.550 0.005 0.000 0.284 190 Y C 2.236 178.088 175.900 -0.080 0.000 1.154 190 Y CA 1.458 59.522 58.100 -0.060 0.000 1.149 190 Y CB -0.528 37.869 38.460 -0.105 0.000 0.976 190 Y HN 0.126 nan 8.280 nan 0.000 0.505 191 N N 0.609 119.182 118.700 -0.213 0.000 2.058 191 N HA -0.198 4.545 4.740 0.004 0.000 0.191 191 N C 1.988 177.346 175.510 -0.253 0.000 1.037 191 N CA 1.972 54.863 53.050 -0.266 0.000 0.848 191 N CB -0.707 37.746 38.487 -0.057 0.000 1.021 191 N HN 0.423 nan 8.380 nan 0.000 0.422 192 L N 0.599 121.731 121.223 -0.152 0.000 2.046 192 L HA -0.095 4.248 4.340 0.004 0.000 0.208 192 L C 2.457 179.166 176.870 -0.268 0.000 1.077 192 L CA 1.030 55.815 54.840 -0.091 0.000 0.747 192 L CB -0.308 41.808 42.059 0.095 0.000 0.896 192 L HN 0.149 nan 8.230 nan 0.000 0.432 193 M N -0.716 118.576 119.600 -0.514 0.000 2.156 193 M HA -0.140 4.342 4.480 0.004 0.000 0.264 193 M C 2.593 178.673 176.300 -0.367 0.000 1.067 193 M CA 1.903 56.862 55.300 -0.568 0.000 1.131 193 M CB -0.311 32.003 32.600 -0.478 0.000 1.368 193 M HN 0.361 nan 8.290 nan 0.000 0.416 194 S N 0.566 115.990 115.700 -0.461 0.000 2.402 194 S HA -0.049 4.423 4.470 0.004 0.000 0.229 194 S C 1.647 176.048 174.600 -0.332 0.000 1.021 194 S CA 0.853 58.795 58.200 -0.431 0.000 0.974 194 S CB -0.743 62.005 63.200 -0.752 0.000 0.800 194 S HN 0.478 nan 8.310 nan 0.000 0.484 195 L N 0.859 121.923 121.223 -0.266 0.000 2.599 195 L HA 0.252 4.595 4.340 0.004 0.000 0.230 195 L C 0.362 177.075 176.870 -0.262 0.000 1.141 195 L CA 0.092 54.823 54.840 -0.183 0.000 0.877 195 L CB -0.504 41.560 42.059 0.009 0.000 1.009 195 L HN 0.264 nan 8.230 nan 0.000 0.447 196 K N -1.876 118.375 120.400 -0.249 0.000 3.167 196 K HA -0.261 4.061 4.320 0.004 0.000 0.272 196 K C 0.263 176.718 176.600 -0.241 0.000 1.137 196 K CA 0.551 56.701 56.287 -0.229 0.000 0.800 196 K CB -2.292 30.075 32.500 -0.221 0.000 1.253 196 K HN 0.257 nan 8.250 nan 0.000 0.497 197 Y N 0.008 120.204 120.300 -0.173 0.000 2.395 197 Y HA 0.016 4.569 4.550 0.004 0.000 0.293 197 Y C 1.073 177.119 175.900 0.243 0.000 1.123 197 Y CA 1.238 59.308 58.100 -0.050 0.000 1.227 197 Y CB 0.282 38.759 38.460 0.028 0.000 1.012 197 Y HN 0.379 nan 8.280 nan 0.000 0.552 198 F N -3.922 116.117 119.950 0.148 0.000 2.807 198 F HA 0.614 5.144 4.527 0.004 0.000 0.316 198 F C -0.953 174.877 175.800 0.050 0.000 1.162 198 F CA -1.313 56.740 58.000 0.089 0.000 0.910 198 F CB 1.332 40.375 39.000 0.071 0.000 1.314 198 F HN -0.421 nan 8.300 nan 0.000 0.454 199 T N -0.675 114.008 114.554 0.214 0.000 2.841 199 T HA 0.436 4.789 4.350 0.004 0.000 0.296 199 T C -1.869 172.913 174.700 0.136 0.000 1.166 199 T CA -0.465 61.703 62.100 0.115 0.000 1.007 199 T CB 1.364 70.248 68.868 0.027 0.000 1.253 199 T HN 0.807 nan 8.240 nan 0.000 0.511 200 H N 0.392 119.544 119.070 0.135 0.000 2.525 200 H HA 0.641 5.199 4.556 0.004 0.000 0.340 200 H C 0.549 175.894 175.328 0.029 0.000 1.168 200 H CA -0.383 55.727 56.048 0.105 0.000 1.247 200 H CB 1.594 31.416 29.762 0.100 0.000 1.568 200 H HN 0.870 nan 8.280 nan 0.000 0.536 201 A N 1.436 124.333 122.820 0.128 0.000 2.492 201 A HA -0.012 4.311 4.320 0.004 0.000 0.236 201 A C 1.472 179.047 177.584 -0.014 0.000 1.078 201 A CA 0.286 52.351 52.037 0.047 0.000 0.773 201 A CB 0.101 19.128 19.000 0.046 0.000 1.023 201 A HN 0.861 nan 8.150 nan 0.000 0.504 202 S N 1.716 117.369 115.700 -0.078 0.000 2.378 202 S HA -0.159 4.314 4.470 0.004 0.000 0.229 202 S C -0.643 173.556 174.600 -0.669 0.000 1.052 202 S CA 2.303 60.311 58.200 -0.319 0.000 1.084 202 S CB -1.292 61.726 63.200 -0.303 0.000 0.950 202 S HN 0.768 nan 8.310 nan 0.000 0.440 203 P HA 0.022 nan 4.420 nan 0.000 0.221 203 P C 1.265 178.576 177.300 0.018 0.000 1.150 203 P CA 1.111 64.198 63.100 -0.021 0.000 0.800 203 P CB -0.324 31.456 31.700 0.133 0.000 0.787 204 T N 0.091 114.641 114.554 -0.006 0.000 2.737 204 T HA -0.045 4.308 4.350 0.004 0.000 0.265 204 T C 1.754 176.469 174.700 0.025 0.000 1.038 204 T CA 1.026 63.138 62.100 0.020 0.000 1.144 204 T CB -0.861 68.033 68.868 0.043 0.000 0.866 204 T HN 0.063 nan 8.240 nan 0.000 0.434 205 L N -0.200 121.023 121.223 -0.000 0.000 2.046 205 L HA -0.049 4.294 4.340 0.004 0.000 0.208 205 L C 2.352 179.326 176.870 0.174 0.000 1.077 205 L CA 1.585 56.466 54.840 0.069 0.000 0.747 205 L CB -0.730 41.381 42.059 0.086 0.000 0.896 205 L HN 0.302 nan 8.230 nan 0.000 0.432 206 F N -0.007 120.019 119.950 0.127 0.000 2.146 206 F HA -0.149 4.381 4.527 0.004 0.000 0.298 206 F C 2.177 177.994 175.800 0.028 0.000 1.096 206 F CA 0.675 58.694 58.000 0.031 0.000 1.275 206 F CB -0.067 38.910 39.000 -0.038 0.000 1.008 206 F HN 0.201 nan 8.300 nan 0.000 0.480 207 N N -0.187 118.658 118.700 0.242 0.000 2.227 207 N HA 0.172 4.915 4.740 0.004 0.000 0.196 207 N C 0.260 175.825 175.510 0.092 0.000 1.142 207 N CA 0.207 53.345 53.050 0.147 0.000 0.887 207 N CB 0.233 38.804 38.487 0.139 0.000 1.022 207 N HN -0.044 nan 8.380 nan 0.000 0.500 208 A N 0.430 123.296 122.820 0.077 0.000 2.520 208 A HA 0.450 4.773 4.320 0.004 0.000 0.245 208 A C 1.408 179.030 177.584 0.064 0.000 1.072 208 A CA 0.821 52.884 52.037 0.042 0.000 0.761 208 A CB -0.402 18.598 19.000 0.000 0.000 1.004 208 A HN 0.419 nan 8.150 nan 0.000 0.499 209 G N 1.976 110.810 108.800 0.056 0.000 2.168 209 G HA2 -0.210 3.753 3.960 0.004 0.000 0.263 209 G HA3 -0.210 3.753 3.960 0.004 0.000 0.263 209 G C 0.546 175.491 174.900 0.076 0.000 0.977 209 G CA 1.368 46.512 45.100 0.073 0.000 0.659 209 G HN 2.042 nan 8.290 nan 0.000 0.533 210 T N -2.914 111.677 114.554 0.062 0.000 2.897 210 T HA 0.676 5.028 4.350 0.004 0.000 0.278 210 T C -0.861 173.855 174.700 0.026 0.000 0.981 210 T CA -0.993 61.136 62.100 0.049 0.000 0.973 210 T CB 2.310 71.200 68.868 0.037 0.000 1.092 210 T HN -0.094 nan 8.240 nan 0.000 0.543 211 P HA 0.030 nan 4.420 nan 0.000 0.216 211 P C 0.066 177.299 177.300 -0.112 0.000 1.153 211 P CA 1.145 64.227 63.100 -0.030 0.000 0.848 211 P CB 0.090 31.765 31.700 -0.042 0.000 0.787 212 K N -0.351 119.947 120.400 -0.170 0.000 2.484 212 K HA 0.262 4.585 4.320 0.004 0.000 0.226 212 K C -2.541 174.005 176.600 -0.089 0.000 1.031 212 K CA -1.863 54.225 56.287 -0.332 0.000 1.026 212 K CB 1.022 33.069 32.500 -0.755 0.000 1.412 212 K HN 0.039 nan 8.250 nan 0.000 0.492 213 P HA 0.005 nan 4.420 nan 0.000 0.279 213 P C -0.907 176.447 177.300 0.089 0.000 1.318 213 P CA -0.349 62.784 63.100 0.054 0.000 0.819 213 P CB 0.865 32.591 31.700 0.044 0.000 0.927 214 Q N 3.948 123.811 119.800 0.104 0.000 2.465 214 Q HA 0.302 4.645 4.340 0.004 0.000 0.237 214 Q C 0.145 176.204 176.000 0.097 0.000 1.051 214 Q CA -0.143 55.726 55.803 0.110 0.000 0.874 214 Q CB 0.882 29.718 28.738 0.163 0.000 1.207 214 Q HN 0.479 nan 8.270 nan 0.000 0.508 215 M N 0.414 120.035 119.600 0.037 0.000 2.337 215 M HA 0.157 4.639 4.480 0.004 0.000 0.256 215 M C 0.375 176.699 176.300 0.039 0.000 1.075 215 M CA -0.011 55.312 55.300 0.039 0.000 1.024 215 M CB 0.829 33.429 32.600 0.001 0.000 1.429 215 M HN 0.194 nan 8.290 nan 0.000 0.497 216 S N 0.055 115.772 115.700 0.029 0.000 2.580 216 S HA 0.171 4.644 4.470 0.004 0.000 0.274 216 S C 1.016 175.655 174.600 0.064 0.000 1.329 216 S CA -0.464 57.725 58.200 -0.018 0.000 1.036 216 S CB 1.455 64.561 63.200 -0.156 0.000 0.919 216 S HN 0.193 nan 8.310 nan 0.000 0.515 217 S N 0.384 116.085 115.700 0.003 0.000 2.497 217 S HA 0.152 4.624 4.470 0.004 0.000 0.221 217 S C 0.269 174.918 174.600 0.082 0.000 1.037 217 S CA -0.066 58.180 58.200 0.077 0.000 0.920 217 S CB 0.188 63.417 63.200 0.048 0.000 0.800 217 S HN 0.759 nan 8.310 nan 0.000 0.505 218 C N 1.731 120.952 119.300 -0.132 0.000 2.498 218 C HA 0.753 5.216 4.460 0.004 0.000 0.316 218 C C -0.960 173.738 174.990 -0.486 0.000 1.209 218 C CA -1.125 57.821 59.018 -0.120 0.000 1.518 218 C CB 0.133 27.814 27.740 -0.098 0.000 2.147 218 C HN 0.358 nan 8.230 nan 0.000 0.483 219 F N 2.651 122.613 119.950 0.019 0.000 2.539 219 F HA 0.633 5.163 4.527 0.004 0.000 0.318 219 F C -0.188 175.586 175.800 -0.044 0.000 1.135 219 F CA -0.753 57.245 58.000 -0.004 0.000 0.915 219 F CB 1.095 40.090 39.000 -0.009 0.000 1.176 219 F HN 0.244 nan 8.300 nan 0.000 0.440 220 L N 4.746 126.002 121.223 0.056 0.000 2.298 220 L HA 0.665 5.008 4.340 0.004 0.000 0.284 220 L C -0.842 176.004 176.870 -0.040 0.000 1.013 220 L CA -0.930 53.893 54.840 -0.027 0.000 0.824 220 L CB 1.383 43.380 42.059 -0.102 0.000 1.221 220 L HN 0.282 nan 8.230 nan 0.000 0.418 221 V N 2.364 122.217 119.914 -0.102 0.000 2.435 221 V HA 0.565 4.688 4.120 0.004 0.000 0.290 221 V C 0.517 176.375 176.094 -0.392 0.000 1.030 221 V CA -0.544 61.653 62.300 -0.172 0.000 0.881 221 V CB 1.755 33.475 31.823 -0.172 0.000 0.983 221 V HN 0.871 nan 8.190 nan 0.000 0.445 222 A N 5.492 128.068 122.820 -0.406 0.000 2.289 222 A HA 0.656 4.979 4.320 0.004 0.000 0.298 222 A C -0.015 177.300 177.584 -0.448 0.000 1.208 222 A CA -0.576 51.033 52.037 -0.714 0.000 0.845 222 A CB 0.387 19.228 19.000 -0.264 0.000 1.125 222 A HN 0.882 nan 8.150 nan 0.000 0.517 223 M N 3.106 122.403 119.600 -0.506 0.000 2.408 223 M HA 0.050 4.532 4.480 0.004 0.000 0.363 223 M C 0.883 177.113 176.300 -0.117 0.000 1.636 223 M CA 0.637 55.789 55.300 -0.246 0.000 1.029 223 M CB -0.370 32.094 32.600 -0.226 0.000 2.068 223 M HN 0.745 nan 8.290 nan 0.000 0.466 224 K N 2.565 122.933 120.400 -0.054 0.000 2.097 224 K HA -0.030 4.293 4.320 0.004 0.000 0.205 224 K C 0.276 176.887 176.600 0.019 0.000 1.050 224 K CA 1.227 57.507 56.287 -0.013 0.000 0.938 224 K CB 0.120 32.622 32.500 0.005 0.000 0.718 224 K HN 0.772 nan 8.250 nan 0.000 0.442 225 E N 0.109 120.328 120.200 0.031 0.000 2.380 225 E HA -0.001 4.352 4.350 0.004 0.000 0.281 225 E C -1.854 174.781 176.600 0.058 0.000 0.999 225 E CA -0.435 55.994 56.400 0.049 0.000 0.800 225 E CB 1.577 31.307 29.700 0.050 0.000 1.228 225 E HN -0.099 nan 8.360 nan 0.000 0.436 226 D N 2.199 122.639 120.400 0.067 0.000 2.662 226 D HA 0.149 4.791 4.640 0.004 0.000 0.228 226 D C -1.298 175.042 176.300 0.068 0.000 1.093 226 D CA 0.603 54.648 54.000 0.074 0.000 1.075 226 D CB -0.258 40.592 40.800 0.084 0.000 1.122 226 D HN 0.407 nan 8.370 nan 0.000 0.475 227 S N 1.057 116.802 115.700 0.075 0.000 2.552 227 S HA 0.228 4.700 4.470 0.004 0.000 0.272 227 S C 0.821 175.485 174.600 0.106 0.000 1.150 227 S CA -0.913 57.330 58.200 0.072 0.000 0.849 227 S CB 0.648 63.882 63.200 0.056 0.000 1.113 227 S HN -0.052 nan 8.310 nan 0.000 0.458 228 I N 1.643 122.277 120.570 0.108 0.000 2.264 228 I HA -0.127 4.045 4.170 0.004 0.000 0.248 228 I C 2.592 178.829 176.117 0.200 0.000 1.111 228 I CA 1.825 63.228 61.300 0.172 0.000 1.382 228 I CB -1.173 36.873 38.000 0.076 0.000 1.060 228 I HN 0.974 nan 8.210 nan 0.000 0.418 229 E N 0.598 120.864 120.200 0.110 0.000 2.051 229 E HA -0.194 4.159 4.350 0.004 0.000 0.192 229 E C 2.289 178.960 176.600 0.119 0.000 0.991 229 E CA 1.432 57.891 56.400 0.099 0.000 0.799 229 E CB -0.246 29.487 29.700 0.055 0.000 0.748 229 E HN 0.504 nan 8.360 nan 0.000 0.449 230 G N 0.877 109.737 108.800 0.099 0.000 2.408 230 G HA2 -0.204 3.758 3.960 0.004 0.000 0.217 230 G HA3 -0.204 3.758 3.960 0.004 0.000 0.217 230 G C 1.573 176.529 174.900 0.093 0.000 1.150 230 G CA 0.566 45.714 45.100 0.081 0.000 0.776 230 G HN 0.203 nan 8.290 nan 0.000 0.542 231 I N -0.777 119.868 120.570 0.123 0.000 2.226 231 I HA -0.166 4.007 4.170 0.004 0.000 0.245 231 I C 2.368 178.461 176.117 -0.041 0.000 1.100 231 I CA 1.047 62.409 61.300 0.103 0.000 1.374 231 I CB -0.221 37.855 38.000 0.127 0.000 1.057 231 I HN 0.119 nan 8.210 nan 0.000 0.413 232 Y N 0.712 121.024 120.300 0.020 0.000 2.395 232 Y HA -0.171 4.382 4.550 0.004 0.000 0.293 232 Y C 2.256 178.141 175.900 -0.024 0.000 1.123 232 Y CA 0.991 59.072 58.100 -0.033 0.000 1.227 232 Y CB -0.314 38.126 38.460 -0.034 0.000 1.012 232 Y HN 0.160 nan 8.280 nan 0.000 0.552 233 D N -0.918 119.543 120.400 0.103 0.000 2.144 233 D HA -0.130 4.512 4.640 0.004 0.000 0.200 233 D C 2.041 178.355 176.300 0.024 0.000 0.978 233 D CA 1.686 55.719 54.000 0.055 0.000 0.833 233 D CB -0.340 40.491 40.800 0.052 0.000 0.961 233 D HN 0.249 nan 8.370 nan 0.000 0.470 234 T N 1.056 115.632 114.554 0.037 0.000 2.821 234 T HA -0.120 4.233 4.350 0.004 0.000 0.267 234 T C 1.930 176.670 174.700 0.067 0.000 1.046 234 T CA 0.411 62.550 62.100 0.065 0.000 1.139 234 T CB -0.221 68.731 68.868 0.140 0.000 0.871 234 T HN 0.034 nan 8.240 nan 0.000 0.454 235 L N 1.388 122.552 121.223 -0.097 0.000 2.056 235 L HA 0.044 4.387 4.340 0.004 0.000 0.207 235 L C 2.386 179.162 176.870 -0.158 0.000 1.078 235 L CA 1.805 56.411 54.840 -0.389 0.000 0.749 235 L CB -0.469 41.098 42.059 -0.820 0.000 0.901 235 L HN 0.095 nan 8.230 nan 0.000 0.433 236 K N -0.493 119.861 120.400 -0.078 0.000 2.026 236 K HA -0.271 4.052 4.320 0.004 0.000 0.208 236 K C 2.141 178.727 176.600 -0.023 0.000 1.048 236 K CA 1.895 58.170 56.287 -0.021 0.000 0.929 236 K CB -0.265 32.242 32.500 0.011 0.000 0.713 236 K HN 0.500 nan 8.250 nan 0.000 0.439 237 E N 0.144 120.328 120.200 -0.027 0.000 2.058 237 E HA -0.230 4.122 4.350 0.004 0.000 0.194 237 E C 1.956 178.506 176.600 -0.084 0.000 0.997 237 E CA 1.759 58.132 56.400 -0.045 0.000 0.801 237 E CB -0.125 29.551 29.700 -0.039 0.000 0.746 237 E HN 0.480 nan 8.360 nan 0.000 0.450 238 C N 0.516 119.766 119.300 -0.083 0.000 2.413 238 C HA -0.098 4.365 4.460 0.004 0.000 0.277 238 C C 2.853 177.812 174.990 -0.052 0.000 1.265 238 C CA 0.854 59.776 59.018 -0.161 0.000 1.752 238 C CB -1.182 26.449 27.740 -0.181 0.000 1.998 238 C HN 0.612 nan 8.230 nan 0.000 0.489 239 A N 0.500 123.326 122.820 0.011 0.000 1.858 239 A HA -0.105 4.217 4.320 0.004 0.000 0.216 239 A C 2.114 179.690 177.584 -0.013 0.000 1.190 239 A CA 1.501 53.563 52.037 0.041 0.000 0.617 239 A CB -0.660 18.363 19.000 0.039 0.000 0.827 239 A HN 0.589 nan 8.150 nan 0.000 0.443 240 L N -0.666 120.534 121.223 -0.038 0.000 2.042 240 L HA -0.206 4.136 4.340 0.004 0.000 0.210 240 L C 2.519 179.324 176.870 -0.109 0.000 1.076 240 L CA 1.378 56.186 54.840 -0.053 0.000 0.749 240 L CB -0.551 41.485 42.059 -0.039 0.000 0.893 240 L HN 0.381 nan 8.230 nan 0.000 0.432 241 I N -1.056 119.397 120.570 -0.195 0.000 2.179 241 I HA -0.312 3.861 4.170 0.004 0.000 0.242 241 I C 2.795 178.763 176.117 -0.247 0.000 1.088 241 I CA 1.381 62.450 61.300 -0.386 0.000 1.357 241 I CB -0.277 37.372 38.000 -0.585 0.000 1.051 241 I HN 0.163 nan 8.210 nan 0.000 0.409 242 S N 0.340 115.987 115.700 -0.088 0.000 2.419 242 S HA -0.218 4.255 4.470 0.004 0.000 0.233 242 S C 2.102 176.705 174.600 0.005 0.000 1.016 242 S CA 1.306 59.535 58.200 0.048 0.000 0.974 242 S CB -0.229 63.104 63.200 0.222 0.000 0.786 242 S HN 0.295 nan 8.310 nan 0.000 0.492 243 K N 0.393 120.771 120.400 -0.036 0.000 2.103 243 K HA -0.095 4.227 4.320 0.004 0.000 0.207 243 K C 0.821 177.405 176.600 -0.028 0.000 1.048 243 K CA 1.690 57.949 56.287 -0.047 0.000 0.930 243 K CB -0.238 32.235 32.500 -0.046 0.000 0.716 243 K HN 0.550 nan 8.250 nan 0.000 0.444 244 T N -1.466 113.077 114.554 -0.018 0.000 3.308 244 T HA 0.608 4.960 4.350 0.004 0.000 0.270 244 T C -0.215 174.520 174.700 0.059 0.000 0.992 244 T CA -0.085 62.029 62.100 0.022 0.000 0.931 244 T CB 0.233 69.135 68.868 0.057 0.000 1.142 244 T HN 0.384 nan 8.240 nan 0.000 0.525 245 A N -0.544 122.311 122.820 0.059 0.000 2.459 245 A HA 0.406 4.729 4.320 0.004 0.000 0.685 245 A C 0.570 178.264 177.584 0.184 0.000 0.157 245 A CA -0.048 52.065 52.037 0.127 0.000 0.058 245 A CB -1.465 17.643 19.000 0.181 0.000 3.969 245 A HN 2.617 nan 8.150 nan 0.000 0.548 246 G N -0.419 108.521 108.800 0.234 0.000 2.841 246 G HA2 0.633 4.596 3.960 0.004 0.000 0.684 246 G HA3 0.633 4.596 3.960 0.004 0.000 0.684 246 G C 0.464 175.544 174.900 0.300 0.000 1.273 246 G CA 0.606 45.906 45.100 0.333 0.000 0.811 246 G HN 2.792 nan 8.290 nan 0.000 0.631 247 G N -0.355 108.631 108.800 0.309 0.000 2.425 247 G HA2 0.717 4.680 3.960 0.004 0.000 0.302 247 G HA3 0.717 4.680 3.960 0.004 0.000 0.302 247 G C -0.073 174.999 174.900 0.286 0.000 1.159 247 G CA -0.809 44.465 45.100 0.289 0.000 0.865 247 G HN 0.873 nan 8.290 nan 0.000 0.515 248 I N 0.586 121.303 120.570 0.246 0.000 2.474 248 I HA 0.467 4.640 4.170 0.004 0.000 0.294 248 I C 0.630 176.832 176.117 0.142 0.000 1.005 248 I CA -0.746 60.615 61.300 0.102 0.000 1.113 248 I CB 2.385 40.235 38.000 -0.250 0.000 1.289 248 I HN 0.546 nan 8.210 nan 0.000 0.436 249 G N 6.077 114.938 108.800 0.103 0.000 2.368 249 G HA2 0.604 4.567 3.960 0.004 0.000 0.320 249 G HA3 0.604 4.567 3.960 0.004 0.000 0.320 249 G C -1.455 173.448 174.900 0.006 0.000 1.158 249 G CA -0.322 44.863 45.100 0.141 0.000 0.912 249 G HN 0.399 nan 8.290 nan 0.000 0.456 250 L N 3.896 125.130 121.223 0.018 0.000 2.349 250 L HA 0.508 4.851 4.340 0.004 0.000 0.278 250 L C -0.157 176.606 176.870 -0.179 0.000 0.996 250 L CA -0.981 53.752 54.840 -0.178 0.000 0.825 250 L CB 1.252 43.138 42.059 -0.288 0.000 1.243 250 L HN 0.724 nan 8.230 nan 0.000 0.412 251 H N 5.072 123.961 119.070 -0.302 0.000 2.473 251 H HA 0.435 4.993 4.556 0.005 0.000 0.327 251 H C 0.016 175.045 175.328 -0.499 0.000 1.105 251 H CA -0.782 54.982 56.048 -0.474 0.000 1.280 251 H CB 1.523 30.946 29.762 -0.564 0.000 1.450 251 H HN 0.840 nan 8.280 nan 0.000 0.492 252 I N 0.068 120.305 120.570 -0.556 0.000 3.491 252 I HA 0.150 4.323 4.170 0.004 0.000 0.332 252 I C 0.090 176.017 176.117 -0.316 0.000 1.565 252 I CA -0.740 60.307 61.300 -0.421 0.000 1.050 252 I CB -0.002 37.741 38.000 -0.428 0.000 1.348 252 I HN 0.420 nan 8.210 nan 0.000 0.506 253 H N 2.540 121.598 119.070 -0.021 0.000 2.457 253 H HA -0.020 4.538 4.556 0.005 0.000 0.294 253 H C 1.360 176.851 175.328 0.273 0.000 1.064 253 H CA 1.523 57.619 56.048 0.079 0.000 1.330 253 H CB -0.193 29.685 29.762 0.194 0.000 1.395 253 H HN 0.651 nan 8.280 nan 0.000 0.541 254 N N 1.108 119.985 118.700 0.295 0.000 2.398 254 N HA -0.045 4.697 4.740 0.004 0.000 0.188 254 N C 0.334 175.969 175.510 0.208 0.000 1.122 254 N CA 0.106 53.314 53.050 0.263 0.000 0.866 254 N CB 0.194 38.795 38.487 0.191 0.000 0.970 254 N HN 0.102 nan 8.380 nan 0.000 0.462 255 I N 3.164 123.851 120.570 0.195 0.000 2.352 255 I HA 0.084 4.257 4.170 0.004 0.000 0.290 255 I C 1.001 177.297 176.117 0.298 0.000 1.036 255 I CA -0.729 60.678 61.300 0.178 0.000 1.336 255 I CB 0.566 38.614 38.000 0.079 0.000 1.407 255 I HN 0.187 nan 8.210 nan 0.000 0.497 256 R N 4.877 125.492 120.500 0.191 0.000 2.640 256 R HA 0.185 4.528 4.340 0.004 0.000 0.270 256 R C 0.251 176.650 176.300 0.165 0.000 1.024 256 R CA -0.299 55.890 56.100 0.149 0.000 1.085 256 R CB 0.234 30.593 30.300 0.098 0.000 0.963 256 R HN 0.670 nan 8.270 nan 0.000 0.426 257 S N 1.895 117.654 115.700 0.097 0.000 2.686 257 S HA 0.155 4.627 4.470 0.004 0.000 0.270 257 S C -0.106 174.563 174.600 0.115 0.000 1.194 257 S CA -0.825 57.459 58.200 0.139 0.000 0.990 257 S CB 0.934 64.145 63.200 0.018 0.000 1.029 257 S HN 0.649 nan 8.310 nan 0.000 0.560 258 T N 1.197 115.824 114.554 0.122 0.000 2.871 258 T HA 0.456 4.808 4.350 0.004 0.000 0.296 258 T C 1.423 176.171 174.700 0.079 0.000 0.998 258 T CA 0.907 63.065 62.100 0.098 0.000 1.162 258 T CB -0.189 68.737 68.868 0.097 0.000 0.947 258 T HN 1.543 nan 8.240 nan 0.000 0.536 259 G N 2.958 111.803 108.800 0.076 0.000 2.194 259 G HA2 -0.258 3.705 3.960 0.004 0.000 0.236 259 G HA3 -0.258 3.705 3.960 0.004 0.000 0.236 259 G C 0.373 175.326 174.900 0.088 0.000 0.987 259 G CA -0.072 45.072 45.100 0.073 0.000 0.635 259 G HN 0.794 nan 8.290 nan 0.000 0.520 260 S N 0.133 115.888 115.700 0.091 0.000 2.564 260 S HA 0.437 4.910 4.470 0.004 0.000 0.278 260 S C 0.074 174.763 174.600 0.148 0.000 1.333 260 S CA -0.424 57.841 58.200 0.108 0.000 1.048 260 S CB 0.969 64.222 63.200 0.088 0.000 0.900 260 S HN 0.476 nan 8.310 nan 0.000 0.505 261 Y N 2.342 122.654 120.300 0.021 0.000 2.597 261 Y HA 0.257 4.810 4.550 0.004 0.000 0.336 261 Y C -0.181 175.734 175.900 0.024 0.000 1.216 261 Y CA 0.005 58.117 58.100 0.019 0.000 1.463 261 Y CB 0.272 38.739 38.460 0.012 0.000 1.303 261 Y HN 0.477 nan 8.280 nan 0.000 0.576 262 I N 6.852 127.083 120.570 -0.566 0.000 2.382 262 I HA 0.268 4.440 4.170 0.004 0.000 0.285 262 I C 0.624 176.232 176.117 -0.850 0.000 1.007 262 I CA -0.301 60.696 61.300 -0.507 0.000 1.142 262 I CB 1.608 39.474 38.000 -0.225 0.000 1.289 262 I HN 0.857 nan 8.210 nan 0.000 0.453 263 A N 4.864 127.289 122.820 -0.659 0.000 1.898 263 A HA -0.029 4.293 4.320 0.004 0.000 0.216 263 A C 2.204 179.659 177.584 -0.215 0.000 1.181 263 A CA 1.722 53.484 52.037 -0.459 0.000 0.620 263 A CB -0.772 18.152 19.000 -0.127 0.000 0.819 263 A HN 0.832 nan 8.150 nan 0.000 0.442 264 G N -0.773 107.934 108.800 -0.154 0.000 2.462 264 G HA2 -0.117 3.846 3.960 0.004 0.000 0.220 264 G HA3 -0.117 3.846 3.960 0.004 0.000 0.220 264 G C 1.334 176.192 174.900 -0.070 0.000 1.121 264 G CA 1.953 47.005 45.100 -0.080 0.000 0.758 264 G HN 0.850 nan 8.290 nan 0.000 0.559 265 T N -3.942 110.550 114.554 -0.102 0.000 3.144 265 T HA 0.235 4.587 4.350 0.004 0.000 0.290 265 T C 0.706 175.377 174.700 -0.049 0.000 0.966 265 T CA 0.452 62.515 62.100 -0.061 0.000 0.907 265 T CB -0.325 68.512 68.868 -0.052 0.000 1.152 265 T HN 0.342 nan 8.240 nan 0.000 0.532 266 N N 0.654 119.300 118.700 -0.091 0.000 2.735 266 N HA -0.153 4.589 4.740 0.004 0.000 0.248 266 N C 0.493 176.041 175.510 0.063 0.000 1.083 266 N CA 0.319 53.395 53.050 0.042 0.000 0.703 266 N CB -1.145 37.417 38.487 0.125 0.000 1.005 266 N HN 0.758 nan 8.380 nan 0.000 0.550 267 G N -1.270 107.492 108.800 -0.064 0.000 2.828 267 G HA2 0.652 4.615 3.960 0.004 0.000 0.244 267 G HA3 0.652 4.615 3.960 0.004 0.000 0.244 267 G C -0.870 174.046 174.900 0.028 0.000 1.365 267 G CA 0.039 45.140 45.100 0.002 0.000 1.041 267 G HN 0.133 nan 8.290 nan 0.000 0.560 268 T N -0.461 114.117 114.554 0.040 0.000 2.971 268 T HA 0.495 4.847 4.350 0.004 0.000 0.304 268 T C -0.386 174.345 174.700 0.051 0.000 1.038 268 T CA -0.260 61.882 62.100 0.071 0.000 1.007 268 T CB 1.436 70.359 68.868 0.092 0.000 1.055 268 T HN 0.643 nan 8.240 nan 0.000 0.451 269 S N 2.234 117.969 115.700 0.059 0.000 2.565 269 S HA 0.246 4.719 4.470 0.004 0.000 0.274 269 S C 0.907 175.549 174.600 0.070 0.000 1.309 269 S CA -0.284 57.953 58.200 0.061 0.000 1.043 269 S CB 0.201 63.443 63.200 0.070 0.000 0.939 269 S HN 0.707 nan 8.310 nan 0.000 0.504 270 N N 2.607 121.349 118.700 0.070 0.000 2.336 270 N HA 0.311 5.054 4.740 0.004 0.000 0.189 270 N C 0.813 176.376 175.510 0.088 0.000 1.113 270 N CA 0.155 53.249 53.050 0.073 0.000 0.858 270 N CB 0.262 38.787 38.487 0.064 0.000 0.970 270 N HN 0.893 nan 8.380 nan 0.000 0.471 271 G N 0.876 109.737 108.800 0.101 0.000 2.584 271 G HA2 -0.298 3.665 3.960 0.004 0.000 0.229 271 G HA3 -0.298 3.665 3.960 0.004 0.000 0.229 271 G C 0.455 175.425 174.900 0.117 0.000 1.320 271 G CA -0.436 44.740 45.100 0.128 0.000 0.891 271 G HN 0.091 nan 8.290 nan 0.000 0.573 272 L N 0.370 121.664 121.223 0.118 0.000 2.072 272 L HA -0.001 4.342 4.340 0.004 0.000 0.205 272 L C 3.155 180.074 176.870 0.082 0.000 1.079 272 L CA 1.033 55.911 54.840 0.065 0.000 0.752 272 L CB -0.572 41.478 42.059 -0.015 0.000 0.906 272 L HN 0.557 nan 8.230 nan 0.000 0.436 273 I N 0.593 121.219 120.570 0.092 0.000 2.091 273 I HA -0.214 3.959 4.170 0.004 0.000 0.239 273 I C -0.080 176.081 176.117 0.073 0.000 1.061 273 I CA 1.994 63.341 61.300 0.078 0.000 1.317 273 I CB -2.701 35.338 38.000 0.065 0.000 1.031 273 I HN 0.184 nan 8.210 nan 0.000 0.401 274 P HA -0.126 nan 4.420 nan 0.000 0.222 274 P C 2.086 179.445 177.300 0.098 0.000 1.147 274 P CA 1.285 64.430 63.100 0.075 0.000 0.790 274 P CB -0.082 31.661 31.700 0.073 0.000 0.780 275 M N -1.252 118.419 119.600 0.117 0.000 2.193 275 M HA -0.088 4.395 4.480 0.004 0.000 0.265 275 M C 1.462 177.908 176.300 0.244 0.000 1.071 275 M CA 1.551 56.950 55.300 0.166 0.000 1.140 275 M CB -0.304 32.386 32.600 0.151 0.000 1.369 275 M HN -0.185 nan 8.290 nan 0.000 0.423 276 I N 0.825 121.493 120.570 0.162 0.000 2.208 276 I HA -0.282 3.890 4.170 0.004 0.000 0.245 276 I C 2.355 178.569 176.117 0.162 0.000 1.097 276 I CA 1.561 62.952 61.300 0.152 0.000 1.363 276 I CB -1.386 36.662 38.000 0.081 0.000 1.051 276 I HN 0.353 nan 8.210 nan 0.000 0.413 277 R N -0.109 120.452 120.500 0.102 0.000 2.120 277 R HA -0.103 4.240 4.340 0.004 0.000 0.234 277 R C 2.311 178.648 176.300 0.062 0.000 1.123 277 R CA 1.071 57.206 56.100 0.060 0.000 0.975 277 R CB -0.366 29.957 30.300 0.037 0.000 0.866 277 R HN 0.234 nan 8.270 nan 0.000 0.446 278 V N 0.409 120.369 119.914 0.075 0.000 2.295 278 V HA -0.239 3.884 4.120 0.004 0.000 0.246 278 V C 1.918 177.986 176.094 -0.043 0.000 1.049 278 V CA 1.789 64.082 62.300 -0.012 0.000 1.024 278 V CB -0.533 31.230 31.823 -0.100 0.000 0.648 278 V HN 0.161 nan 8.190 nan 0.000 0.447 279 F N 0.669 120.623 119.950 0.008 0.000 2.186 279 F HA -0.144 4.386 4.527 0.005 0.000 0.299 279 F C 2.338 178.160 175.800 0.037 0.000 1.090 279 F CA 1.994 60.048 58.000 0.091 0.000 1.307 279 F CB -0.603 38.481 39.000 0.141 0.000 1.019 279 F HN 0.193 nan 8.300 nan 0.000 0.489 280 N N 0.186 118.973 118.700 0.145 0.000 2.104 280 N HA -0.232 4.511 4.740 0.004 0.000 0.190 280 N C 1.784 177.264 175.510 -0.050 0.000 1.024 280 N CA 1.353 54.396 53.050 -0.012 0.000 0.853 280 N CB -0.212 38.260 38.487 -0.025 0.000 1.008 280 N HN 0.014 nan 8.380 nan 0.000 0.424 281 N N -0.817 117.876 118.700 -0.013 0.000 2.331 281 N HA -0.041 4.702 4.740 0.004 0.000 0.180 281 N C 1.109 176.630 175.510 0.018 0.000 1.019 281 N CA 0.971 54.014 53.050 -0.013 0.000 0.881 281 N CB -0.180 38.297 38.487 -0.016 0.000 0.972 281 N HN 0.269 nan 8.380 nan 0.000 0.435 282 T N 0.466 115.033 114.554 0.022 0.000 2.777 282 T HA 0.021 4.374 4.350 0.004 0.000 0.266 282 T C 1.860 176.573 174.700 0.022 0.000 1.040 282 T CA 1.156 63.308 62.100 0.087 0.000 1.141 282 T CB -0.202 68.715 68.868 0.081 0.000 0.868 282 T HN 0.324 nan 8.240 nan 0.000 0.444 283 A N 2.077 124.770 122.820 -0.211 0.000 1.902 283 A HA -0.146 4.177 4.320 0.004 0.000 0.217 283 A C 2.358 179.821 177.584 -0.202 0.000 1.181 283 A CA 1.365 53.099 52.037 -0.506 0.000 0.623 283 A CB -0.457 18.002 19.000 -0.902 0.000 0.818 283 A HN 0.424 nan 8.150 nan 0.000 0.443 284 R N -2.091 118.344 120.500 -0.109 0.000 2.081 284 R HA -0.160 4.183 4.340 0.004 0.000 0.235 284 R C 2.196 178.524 176.300 0.047 0.000 1.131 284 R CA 1.693 57.774 56.100 -0.031 0.000 0.960 284 R CB -0.610 29.682 30.300 -0.014 0.000 0.856 284 R HN 0.701 nan 8.270 nan 0.000 0.436 285 Y N 1.775 122.041 120.300 -0.056 0.000 2.130 285 Y HA -0.060 4.493 4.550 0.004 0.000 0.287 285 Y C 0.925 176.813 175.900 -0.020 0.000 1.124 285 Y CA 0.587 58.668 58.100 -0.032 0.000 1.118 285 Y CB -0.092 38.354 38.460 -0.024 0.000 0.994 285 Y HN -0.297 nan 8.280 nan 0.000 0.497 286 V N 4.516 124.313 119.914 -0.194 0.000 2.153 286 V HA 0.087 4.210 4.120 0.004 0.000 0.250 286 V C -0.740 175.272 176.094 -0.137 0.000 1.334 286 V CA -0.004 62.114 62.300 -0.304 0.000 1.249 286 V CB -0.891 30.829 31.823 -0.171 0.000 1.371 286 V HN 0.382 nan 8.190 nan 0.000 0.498 287 D N 3.659 123.976 120.400 -0.139 0.000 2.688 287 D HA 0.044 4.686 4.640 0.004 0.000 0.228 287 D C 0.661 176.922 176.300 -0.065 0.000 1.116 287 D CA -0.551 53.406 54.000 -0.073 0.000 1.023 287 D CB 0.045 40.811 40.800 -0.058 0.000 1.100 287 D HN 0.613 nan 8.370 nan 0.000 0.487 288 Q N 0.275 120.051 119.800 -0.040 0.000 2.408 288 Q HA -0.234 4.109 4.340 0.004 0.000 0.290 288 Q C 0.848 176.809 176.000 -0.065 0.000 1.221 288 Q CA 0.779 56.565 55.803 -0.028 0.000 0.895 288 Q CB -1.873 26.869 28.738 0.008 0.000 1.241 288 Q HN 0.875 nan 8.270 nan 0.000 0.494 289 G N -2.267 106.484 108.800 -0.082 0.000 2.227 289 G HA2 0.170 4.133 3.960 0.004 0.000 0.168 289 G HA3 0.170 4.133 3.960 0.004 0.000 0.168 289 G C 0.303 175.149 174.900 -0.091 0.000 1.006 289 G CA -0.126 44.924 45.100 -0.084 0.000 0.684 289 G HN 1.358 nan 8.290 nan 0.000 0.489 290 G N -0.073 108.668 108.800 -0.099 0.000 2.798 290 G HA2 0.318 4.280 3.960 0.004 0.000 0.658 290 G HA3 0.318 4.280 3.960 0.004 0.000 0.658 290 G C 0.080 174.935 174.900 -0.075 0.000 1.148 290 G CA 0.235 45.282 45.100 -0.087 0.000 1.200 290 G HN 1.665 nan 8.290 nan 0.000 0.519 291 N N -0.765 117.894 118.700 -0.068 0.000 2.783 291 N HA -0.188 4.555 4.740 0.004 0.000 0.247 291 N C 1.404 176.868 175.510 -0.077 0.000 1.089 291 N CA 1.816 54.831 53.050 -0.059 0.000 0.690 291 N CB -0.340 38.118 38.487 -0.047 0.000 0.991 291 N HN 0.813 nan 8.380 nan 0.000 0.552 292 K N -0.065 120.283 120.400 -0.087 0.000 2.344 292 K HA 0.326 4.649 4.320 0.004 0.000 0.229 292 K C 0.329 176.879 176.600 -0.082 0.000 1.112 292 K CA 0.252 56.469 56.287 -0.116 0.000 0.850 292 K CB 0.557 32.961 32.500 -0.160 0.000 1.311 292 K HN 0.018 nan 8.250 nan 0.000 0.448 293 R N 1.087 121.556 120.500 -0.052 0.000 2.564 293 R HA 0.319 4.662 4.340 0.004 0.000 0.284 293 R C -2.899 173.402 176.300 0.003 0.000 1.031 293 R CA -2.157 53.938 56.100 -0.009 0.000 0.904 293 R CB 2.166 32.480 30.300 0.023 0.000 1.199 293 R HN -0.004 nan 8.270 nan 0.000 0.443 294 P HA -0.076 nan 4.420 nan 0.000 0.264 294 P C 0.018 177.325 177.300 0.011 0.000 1.179 294 P CA 0.247 63.345 63.100 -0.003 0.000 0.763 294 P CB 0.495 32.198 31.700 0.005 0.000 0.806 295 G N 1.818 110.595 108.800 -0.039 0.000 2.414 295 G HA2 0.368 4.331 3.960 0.004 0.000 0.236 295 G HA3 0.368 4.331 3.960 0.004 0.000 0.236 295 G C -0.529 174.337 174.900 -0.058 0.000 1.293 295 G CA 0.022 45.101 45.100 -0.036 0.000 0.869 295 G HN 0.595 nan 8.290 nan 0.000 0.556 296 A N 2.300 125.235 122.820 0.192 0.000 2.363 296 A HA 0.701 5.024 4.320 0.004 0.000 0.296 296 A C -0.648 177.319 177.584 0.638 0.000 1.237 296 A CA -0.666 51.566 52.037 0.326 0.000 0.773 296 A CB 0.541 19.716 19.000 0.292 0.000 1.153 296 A HN 0.621 nan 8.150 nan 0.000 0.473 297 F N 2.081 122.205 119.950 0.290 0.000 2.493 297 F HA 0.640 5.170 4.527 0.004 0.000 0.329 297 F C 0.693 176.679 175.800 0.311 0.000 1.126 297 F CA -1.047 57.096 58.000 0.239 0.000 0.937 297 F CB 2.247 41.346 39.000 0.165 0.000 1.146 297 F HN 0.640 nan 8.300 nan 0.000 0.442 298 A N 4.764 127.858 122.820 0.457 0.000 2.306 298 A HA 0.812 5.135 4.320 0.004 0.000 0.314 298 A C -0.914 176.811 177.584 0.234 0.000 1.164 298 A CA -0.578 51.664 52.037 0.342 0.000 0.822 298 A CB 0.853 20.076 19.000 0.372 0.000 1.130 298 A HN 0.812 nan 8.150 nan 0.000 0.496 299 L N 1.869 123.158 121.223 0.109 0.000 2.322 299 L HA 0.453 4.796 4.340 0.004 0.000 0.281 299 L C -1.265 175.635 176.870 0.049 0.000 1.014 299 L CA -0.507 54.404 54.840 0.118 0.000 0.815 299 L CB 1.253 43.433 42.059 0.203 0.000 1.247 299 L HN 0.672 nan 8.230 nan 0.000 0.421 300 Y N 3.787 124.052 120.300 -0.059 0.000 2.330 300 Y HA 0.636 5.189 4.550 0.004 0.000 0.336 300 Y C -0.158 175.530 175.900 -0.353 0.000 1.036 300 Y CA -0.438 57.599 58.100 -0.106 0.000 1.125 300 Y CB 1.637 39.986 38.460 -0.185 0.000 1.194 300 Y HN 0.361 nan 8.280 nan 0.000 0.469 301 L N 3.329 124.467 121.223 -0.143 0.000 2.455 301 L HA 0.414 4.756 4.340 0.004 0.000 0.264 301 L C -0.938 175.909 176.870 -0.037 0.000 0.968 301 L CA -0.765 53.889 54.840 -0.310 0.000 0.827 301 L CB 2.248 43.655 42.059 -1.086 0.000 1.317 301 L HN 0.674 nan 8.230 nan 0.000 0.407 302 E N 5.126 125.276 120.200 -0.083 0.000 2.338 302 E HA 0.144 4.497 4.350 0.004 0.000 0.272 302 E C -1.667 174.608 176.600 -0.540 0.000 1.029 302 E CA -1.609 54.565 56.400 -0.375 0.000 0.872 302 E CB 1.113 30.420 29.700 -0.655 0.000 1.015 302 E HN 0.380 nan 8.360 nan 0.000 0.417 303 P HA -0.157 nan 4.420 nan 0.000 0.231 303 P C 0.775 178.251 177.300 0.294 0.000 1.158 303 P CA 0.989 63.952 63.100 -0.228 0.000 0.763 303 P CB -0.082 31.165 31.700 -0.755 0.000 0.805 304 W N -1.047 120.614 121.300 0.602 0.000 2.800 304 W HA 0.067 4.729 4.660 0.004 0.000 0.249 304 W C 0.599 177.307 176.519 0.315 0.000 1.294 304 W CA -0.408 57.208 57.345 0.451 0.000 1.402 304 W CB -1.821 27.956 29.460 0.528 0.000 1.126 304 W HN -0.004 nan 8.180 nan 0.000 0.652 305 H N 1.835 120.836 119.070 -0.115 0.000 2.964 305 H HA 0.194 4.753 4.556 0.004 0.000 0.328 305 H C 1.293 176.705 175.328 0.140 0.000 1.030 305 H CA 1.063 57.117 56.048 0.010 0.000 1.445 305 H CB 1.840 31.424 29.762 -0.297 0.000 1.449 305 H HN 0.085 nan 8.280 nan 0.000 0.581 306 A N 4.254 127.082 122.820 0.014 0.000 2.125 306 A HA -0.132 4.191 4.320 0.004 0.000 0.219 306 A C 1.446 179.181 177.584 0.252 0.000 1.156 306 A CA 1.288 53.404 52.037 0.130 0.000 0.671 306 A CB 0.055 19.081 19.000 0.043 0.000 0.794 306 A HN 0.716 nan 8.150 nan 0.000 0.459 307 D N -0.743 119.908 120.400 0.418 0.000 2.319 307 D HA 0.068 4.710 4.640 0.004 0.000 0.230 307 D C 1.201 177.659 176.300 0.264 0.000 1.094 307 D CA -0.032 54.163 54.000 0.325 0.000 0.856 307 D CB 0.157 41.136 40.800 0.298 0.000 0.915 307 D HN 0.440 nan 8.370 nan 0.000 0.517 308 I N -0.453 120.260 120.570 0.239 0.000 2.493 308 I HA -0.171 4.002 4.170 0.004 0.000 0.254 308 I C 1.486 177.655 176.117 0.086 0.000 1.160 308 I CA 1.063 62.429 61.300 0.109 0.000 1.445 308 I CB -0.121 37.877 38.000 -0.002 0.000 1.086 308 I HN -0.155 nan 8.210 nan 0.000 0.433 309 F N 0.481 120.512 119.950 0.135 0.000 2.206 309 F HA -0.126 4.403 4.527 0.004 0.000 0.298 309 F C 2.141 177.986 175.800 0.075 0.000 1.090 309 F CA 1.279 59.340 58.000 0.102 0.000 1.323 309 F CB -0.321 38.739 39.000 0.099 0.000 1.028 309 F HN 0.092 nan 8.300 nan 0.000 0.492 310 D N -0.897 119.658 120.400 0.257 0.000 2.249 310 D HA -0.114 4.529 4.640 0.004 0.000 0.205 310 D C 1.915 178.269 176.300 0.089 0.000 0.962 310 D CA 0.588 54.676 54.000 0.146 0.000 0.860 310 D CB -0.401 40.480 40.800 0.135 0.000 0.955 310 D HN 0.185 nan 8.370 nan 0.000 0.505 311 F N 2.014 121.947 119.950 -0.028 0.000 2.084 311 F HA -0.094 4.435 4.527 0.004 0.000 0.296 311 F C 2.060 177.779 175.800 -0.134 0.000 1.111 311 F CA 1.053 58.994 58.000 -0.099 0.000 1.224 311 F CB -0.360 38.559 39.000 -0.135 0.000 0.991 311 F HN -0.084 nan 8.300 nan 0.000 0.471 312 I N -1.768 118.732 120.570 -0.117 0.000 2.850 312 I HA -0.141 4.031 4.170 0.004 0.000 0.266 312 I C 0.520 176.487 176.117 -0.250 0.000 1.257 312 I CA 1.499 62.658 61.300 -0.236 0.000 1.465 312 I CB -0.637 37.280 38.000 -0.139 0.000 1.091 312 I HN 0.001 nan 8.210 nan 0.000 0.467 313 D N 0.526 120.809 120.400 -0.195 0.000 2.402 313 D HA 0.192 4.834 4.640 0.004 0.000 0.216 313 D C 1.671 177.841 176.300 -0.216 0.000 1.128 313 D CA 0.059 53.959 54.000 -0.167 0.000 0.833 313 D CB 0.362 41.115 40.800 -0.078 0.000 0.971 313 D HN 0.326 nan 8.370 nan 0.000 0.503 314 I N 0.542 120.934 120.570 -0.298 0.000 2.530 314 I HA -0.192 3.980 4.170 0.004 0.000 0.257 314 I C 1.842 177.792 176.117 -0.277 0.000 1.179 314 I CA 1.285 62.408 61.300 -0.296 0.000 1.440 314 I CB 0.232 37.980 38.000 -0.421 0.000 1.087 314 I HN -0.122 nan 8.210 nan 0.000 0.440 315 R N -0.481 119.848 120.500 -0.284 0.000 2.334 315 R HA 0.144 4.487 4.340 0.004 0.000 0.212 315 R C 0.505 176.684 176.300 -0.202 0.000 0.897 315 R CA -0.211 55.739 56.100 -0.251 0.000 1.056 315 R CB 0.245 30.390 30.300 -0.259 0.000 1.046 315 R HN 0.186 nan 8.270 nan 0.000 0.513 316 K N 0.982 121.247 120.400 -0.225 0.000 2.518 316 K HA -0.093 4.230 4.320 0.004 0.000 0.276 316 K C 0.515 176.949 176.600 -0.277 0.000 0.974 316 K CA 0.363 56.478 56.287 -0.287 0.000 0.986 316 K CB 0.382 32.620 32.500 -0.437 0.000 0.901 316 K HN 0.149 nan 8.250 nan 0.000 0.497 317 N N 0.732 119.292 118.700 -0.234 0.000 2.376 317 N HA -0.084 4.659 4.740 0.004 0.000 0.177 317 N C 0.042 175.522 175.510 -0.051 0.000 1.024 317 N CA 0.213 53.213 53.050 -0.084 0.000 0.893 317 N CB 0.251 38.764 38.487 0.043 0.000 0.980 317 N HN 0.492 nan 8.380 nan 0.000 0.439 318 H N -1.520 117.538 119.070 -0.020 0.000 2.490 318 H HA 0.510 5.068 4.556 0.004 0.000 0.354 318 H C 0.858 176.178 175.328 -0.013 0.000 1.365 318 H CA -0.857 55.184 56.048 -0.013 0.000 1.413 318 H CB 0.035 29.794 29.762 -0.006 0.000 1.631 318 H HN -0.088 nan 8.280 nan 0.000 0.607 319 G N -0.980 107.898 108.800 0.131 0.000 2.690 319 G HA2 0.246 4.208 3.960 0.004 0.000 0.239 319 G HA3 0.246 4.208 3.960 0.004 0.000 0.239 319 G C -0.701 174.216 174.900 0.028 0.000 1.233 319 G CA -0.387 44.747 45.100 0.056 0.000 0.847 319 G HN 0.788 nan 8.290 nan 0.000 0.588 320 K N -0.762 119.646 120.400 0.013 0.000 3.131 320 K HA -0.125 4.198 4.320 0.004 0.000 0.259 320 K C 0.948 177.541 176.600 -0.012 0.000 1.223 320 K CA 0.748 57.038 56.287 0.005 0.000 0.773 320 K CB -1.237 31.269 32.500 0.010 0.000 1.452 320 K HN 0.779 nan 8.250 nan 0.000 0.503 321 E N 1.744 121.937 120.200 -0.012 0.000 2.118 321 E HA -0.259 4.094 4.350 0.004 0.000 0.195 321 E C 1.351 177.938 176.600 -0.020 0.000 0.992 321 E CA 1.841 58.228 56.400 -0.022 0.000 0.804 321 E CB 0.181 29.871 29.700 -0.016 0.000 0.741 321 E HN 0.620 nan 8.360 nan 0.000 0.458 322 E N -0.134 120.061 120.200 -0.009 0.000 2.409 322 E HA -0.150 4.203 4.350 0.004 0.000 0.198 322 E C 1.639 178.238 176.600 -0.001 0.000 1.024 322 E CA 0.700 57.099 56.400 -0.003 0.000 0.861 322 E CB -0.103 29.600 29.700 0.005 0.000 0.788 322 E HN 0.297 nan 8.360 nan 0.000 0.521 323 I N 0.641 121.206 120.570 -0.008 0.000 4.018 323 I HA 0.114 4.287 4.170 0.004 0.000 0.337 323 I C 0.012 176.109 176.117 -0.034 0.000 1.327 323 I CA -0.297 60.999 61.300 -0.007 0.000 1.100 323 I CB 0.279 38.281 38.000 0.004 0.000 1.025 323 I HN -0.052 nan 8.210 nan 0.000 0.396 324 R N 0.919 121.387 120.500 -0.053 0.000 2.720 324 R HA 0.802 5.144 4.340 0.004 0.000 0.272 324 R C -0.584 175.661 176.300 -0.092 0.000 0.991 324 R CA -0.639 55.407 56.100 -0.091 0.000 1.010 324 R CB 1.523 31.759 30.300 -0.107 0.000 1.141 324 R HN -0.018 nan 8.270 nan 0.000 0.494 325 A N 1.948 124.688 122.820 -0.133 0.000 2.855 325 A HA 0.307 4.630 4.320 0.004 0.000 0.313 325 A C 0.431 177.896 177.584 -0.198 0.000 1.173 325 A CA -0.612 51.345 52.037 -0.134 0.000 0.753 325 A CB 0.565 19.502 19.000 -0.106 0.000 1.200 325 A HN 0.746 nan 8.150 nan 0.000 0.442 326 R N 0.495 120.886 120.500 -0.182 0.000 2.240 326 R HA 0.008 4.351 4.340 0.004 0.000 0.203 326 R C -0.085 176.045 176.300 -0.283 0.000 1.011 326 R CA 0.797 56.765 56.100 -0.220 0.000 1.007 326 R CB 0.328 30.534 30.300 -0.156 0.000 0.911 326 R HN 0.598 nan 8.270 nan 0.000 0.468 327 D N 0.346 120.595 120.400 -0.252 0.000 2.328 327 D HA 0.096 4.739 4.640 0.004 0.000 0.221 327 D C 0.264 176.346 176.300 -0.362 0.000 1.072 327 D CA 0.483 54.321 54.000 -0.269 0.000 0.850 327 D CB 0.505 41.200 40.800 -0.175 0.000 0.922 327 D HN 0.144 nan 8.370 nan 0.000 0.516 328 L N -0.377 120.580 121.223 -0.442 0.000 2.301 328 L HA 0.488 4.830 4.340 0.004 0.000 0.264 328 L C -0.747 175.730 176.870 -0.655 0.000 1.016 328 L CA -1.045 53.576 54.840 -0.365 0.000 0.821 328 L CB 1.604 43.572 42.059 -0.151 0.000 1.346 328 L HN -0.271 nan 8.230 nan 0.000 0.429 329 F N 1.827 121.702 119.950 -0.125 0.000 2.449 329 F HA 0.426 4.955 4.527 0.004 0.000 0.342 329 F C -2.164 173.355 175.800 -0.468 0.000 1.127 329 F CA -2.191 55.629 58.000 -0.300 0.000 0.975 329 F CB 1.440 40.342 39.000 -0.164 0.000 1.146 329 F HN 0.133 nan 8.300 nan 0.000 0.444 330 P HA 0.431 nan 4.420 nan 0.000 0.285 330 P C -1.260 175.659 177.300 -0.636 0.000 1.259 330 P CA -0.225 62.471 63.100 -0.673 0.000 0.794 330 P CB 1.844 32.946 31.700 -0.997 0.000 0.940 331 A N 4.135 126.717 122.820 -0.397 0.000 2.422 331 A HA 0.611 4.934 4.320 0.004 0.000 0.302 331 A C -0.728 176.745 177.584 -0.184 0.000 1.041 331 A CA -0.840 50.935 52.037 -0.437 0.000 0.708 331 A CB 1.038 19.495 19.000 -0.905 0.000 1.257 331 A HN 0.465 nan 8.150 nan 0.000 0.414 332 L N 2.151 123.334 121.223 -0.067 0.000 2.292 332 L HA 0.282 4.624 4.340 0.004 0.000 0.284 332 L C -0.244 176.736 176.870 0.185 0.000 1.065 332 L CA -0.214 54.632 54.840 0.009 0.000 0.806 332 L CB 1.138 43.133 42.059 -0.107 0.000 1.175 332 L HN 0.825 nan 8.230 nan 0.000 0.431 333 W N 6.778 128.082 121.300 0.008 0.000 2.175 333 W HA 0.400 5.063 4.660 0.005 0.000 0.350 333 W C -0.822 175.656 176.519 -0.069 0.000 0.877 333 W CA -0.757 56.622 57.345 0.056 0.000 1.544 333 W CB 0.647 30.209 29.460 0.170 0.000 1.585 333 W HN 0.416 nan 8.180 nan 0.000 0.347 334 I N 7.835 128.285 120.570 -0.200 0.000 2.337 334 I HA 0.126 4.299 4.170 0.004 0.000 0.291 334 I C -1.596 174.418 176.117 -0.170 0.000 1.046 334 I CA -1.850 59.348 61.300 -0.171 0.000 1.324 334 I CB 0.749 38.694 38.000 -0.092 0.000 1.409 334 I HN 0.052 nan 8.210 nan 0.000 0.494 335 P HA 0.128 nan 4.420 nan 0.000 0.277 335 P C -0.249 177.041 177.300 -0.018 0.000 1.240 335 P CA -0.270 62.717 63.100 -0.189 0.000 0.798 335 P CB 1.197 32.642 31.700 -0.425 0.000 0.979 336 D N 0.957 121.396 120.400 0.065 0.000 2.123 336 D HA -0.134 4.508 4.640 0.004 0.000 0.196 336 D C 1.905 178.251 176.300 0.077 0.000 0.992 336 D CA 1.007 55.113 54.000 0.178 0.000 0.833 336 D CB -0.497 40.521 40.800 0.363 0.000 0.954 336 D HN 0.316 nan 8.370 nan 0.000 0.455 337 L N -0.038 121.297 121.223 0.188 0.000 2.051 337 L HA -0.254 4.089 4.340 0.004 0.000 0.214 337 L C 2.298 179.224 176.870 0.093 0.000 1.076 337 L CA 1.220 56.197 54.840 0.228 0.000 0.758 337 L CB -0.258 42.043 42.059 0.405 0.000 0.890 337 L HN 0.012 nan 8.230 nan 0.000 0.433 338 F N -0.109 119.686 119.950 -0.259 0.000 2.134 338 F HA -0.277 4.253 4.527 0.006 0.000 0.299 338 F C 2.395 177.819 175.800 -0.626 0.000 1.097 338 F CA 1.521 59.034 58.000 -0.813 0.000 1.264 338 F CB -0.133 38.298 39.000 -0.947 0.000 1.001 338 F HN 0.028 nan 8.300 nan 0.000 0.479 339 M N 0.174 119.315 119.600 -0.766 0.000 2.156 339 M HA -0.138 4.345 4.480 0.004 0.000 0.264 339 M C 2.086 177.971 176.300 -0.693 0.000 1.067 339 M CA 1.434 56.019 55.300 -1.190 0.000 1.131 339 M CB -1.152 30.057 32.600 -2.317 0.000 1.368 339 M HN 0.120 nan 8.290 nan 0.000 0.416 340 K N -0.340 119.839 120.400 -0.368 0.000 2.032 340 K HA -0.125 4.198 4.320 0.004 0.000 0.209 340 K C 2.124 178.665 176.600 -0.100 0.000 1.048 340 K CA 1.007 57.260 56.287 -0.055 0.000 0.927 340 K CB -0.097 32.460 32.500 0.096 0.000 0.712 340 K HN 0.179 nan 8.250 nan 0.000 0.441 341 R N 0.597 121.016 120.500 -0.134 0.000 2.096 341 R HA -0.076 4.267 4.340 0.004 0.000 0.235 341 R C 2.308 178.480 176.300 -0.214 0.000 1.127 341 R CA 0.906 56.960 56.100 -0.077 0.000 0.968 341 R CB -0.878 29.482 30.300 0.100 0.000 0.861 341 R HN 0.090 nan 8.270 nan 0.000 0.440 342 V N 2.140 121.766 119.914 -0.480 0.000 2.295 342 V HA -0.251 3.872 4.120 0.004 0.000 0.246 342 V C 2.514 178.371 176.094 -0.395 0.000 1.049 342 V CA 2.264 64.244 62.300 -0.532 0.000 1.024 342 V CB -0.604 30.662 31.823 -0.929 0.000 0.648 342 V HN 0.486 nan 8.190 nan 0.000 0.447 343 E N 0.404 120.391 120.200 -0.354 0.000 2.152 343 E HA -0.228 4.125 4.350 0.004 0.000 0.192 343 E C 1.792 178.268 176.600 -0.207 0.000 0.983 343 E CA 1.358 57.522 56.400 -0.394 0.000 0.818 343 E CB -0.363 29.120 29.700 -0.362 0.000 0.758 343 E HN 0.681 nan 8.360 nan 0.000 0.467 344 E N 0.738 120.865 120.200 -0.122 0.000 2.478 344 E HA -0.092 4.260 4.350 0.004 0.000 0.198 344 E C -0.082 176.491 176.600 -0.045 0.000 1.046 344 E CA 0.283 56.648 56.400 -0.058 0.000 0.870 344 E CB -0.259 29.433 29.700 -0.012 0.000 0.818 344 E HN 0.258 nan 8.360 nan 0.000 0.527 345 N N 0.006 118.664 118.700 -0.070 0.000 2.725 345 N HA -0.155 4.587 4.740 0.004 0.000 0.251 345 N C -0.323 175.199 175.510 0.020 0.000 1.031 345 N CA 0.668 53.703 53.050 -0.025 0.000 0.720 345 N CB -0.865 37.615 38.487 -0.012 0.000 0.930 345 N HN 0.289 nan 8.380 nan 0.000 0.543 346 G N -1.132 107.689 108.800 0.034 0.000 2.702 346 G HA2 0.620 4.583 3.960 0.004 0.000 0.254 346 G HA3 0.620 4.583 3.960 0.004 0.000 0.254 346 G C 0.104 175.091 174.900 0.145 0.000 1.380 346 G CA 0.064 45.216 45.100 0.087 0.000 1.042 346 G HN 0.515 nan 8.290 nan 0.000 0.557 347 T N -2.981 111.689 114.554 0.194 0.000 2.881 347 T HA 0.532 4.885 4.350 0.004 0.000 0.278 347 T C -0.792 174.181 174.700 0.455 0.000 0.982 347 T CA -0.672 61.585 62.100 0.261 0.000 0.989 347 T CB 1.876 70.861 68.868 0.196 0.000 1.058 347 T HN 0.582 nan 8.240 nan 0.000 0.529 348 W N 0.536 121.967 121.300 0.219 0.000 3.129 348 W HA 0.415 5.077 4.660 0.003 0.000 0.333 348 W C -1.622 175.044 176.519 0.246 0.000 1.141 348 W CA -0.830 56.705 57.345 0.315 0.000 1.224 348 W CB 2.445 32.142 29.460 0.395 0.000 1.393 348 W HN 0.744 nan 8.180 nan 0.000 0.499 349 T N 5.924 120.279 114.554 -0.332 0.000 2.797 349 T HA 0.476 4.829 4.350 0.004 0.000 0.279 349 T C -0.143 174.079 174.700 -0.796 0.000 0.991 349 T CA -0.502 61.258 62.100 -0.567 0.000 0.979 349 T CB 1.325 69.749 68.868 -0.740 0.000 0.943 349 T HN 0.202 nan 8.240 nan 0.000 0.444 350 L N 3.959 124.855 121.223 -0.545 0.000 2.275 350 L HA 0.583 4.926 4.340 0.004 0.000 0.288 350 L C -0.882 175.701 176.870 -0.480 0.000 1.046 350 L CA -0.618 54.061 54.840 -0.268 0.000 0.805 350 L CB 0.532 42.599 42.059 0.013 0.000 1.193 350 L HN 0.582 nan 8.230 nan 0.000 0.426 351 F N 0.499 120.510 119.950 0.101 0.000 2.546 351 F HA 0.334 4.863 4.527 0.004 0.000 0.320 351 F C 0.563 176.362 175.800 -0.002 0.000 1.076 351 F CA -0.699 57.294 58.000 -0.011 0.000 0.928 351 F CB 2.133 41.047 39.000 -0.143 0.000 1.189 351 F HN 0.319 nan 8.300 nan 0.000 0.465 352 S N 3.476 119.245 115.700 0.114 0.000 2.548 352 S HA 0.222 4.694 4.470 0.004 0.000 0.277 352 S C -1.359 173.280 174.600 0.064 0.000 1.315 352 S CA -1.494 56.708 58.200 0.004 0.000 1.050 352 S CB 0.896 64.100 63.200 0.006 0.000 0.918 352 S HN 0.422 nan 8.310 nan 0.000 0.497 353 P HA -0.111 nan 4.420 nan 0.000 0.221 353 P C 1.356 178.657 177.300 0.002 0.000 1.145 353 P CA 1.318 64.499 63.100 0.135 0.000 0.795 353 P CB -0.564 31.319 31.700 0.304 0.000 0.775 354 T N -3.121 111.439 114.554 0.010 0.000 2.867 354 T HA -0.038 4.314 4.350 0.004 0.000 0.268 354 T C 1.987 176.629 174.700 -0.097 0.000 1.057 354 T CA 1.297 63.386 62.100 -0.019 0.000 1.136 354 T CB -1.072 67.809 68.868 0.023 0.000 0.874 354 T HN 0.036 nan 8.240 nan 0.000 0.466 355 S N 1.583 117.207 115.700 -0.126 0.000 2.436 355 S HA 0.454 4.927 4.470 0.004 0.000 0.228 355 S C 1.296 175.589 174.600 -0.510 0.000 1.014 355 S CA 0.425 58.502 58.200 -0.206 0.000 0.950 355 S CB -0.047 63.096 63.200 -0.095 0.000 0.784 355 S HN 0.788 nan 8.310 nan 0.000 0.504 356 A N 2.366 124.794 122.820 -0.654 0.000 3.216 356 A HA 0.500 4.822 4.320 0.004 0.000 0.321 356 A C -2.947 174.183 177.584 -0.758 0.000 1.042 356 A CA -1.429 49.793 52.037 -1.358 0.000 0.838 356 A CB 0.402 18.398 19.000 -1.673 0.000 1.136 356 A HN 0.113 nan 8.150 nan 0.000 0.483 357 P HA 0.353 nan 4.420 nan 0.000 0.272 357 P C 1.011 178.339 177.300 0.047 0.000 1.223 357 P CA 1.581 64.621 63.100 -0.100 0.000 0.784 357 P CB 1.127 32.802 31.700 -0.042 0.000 0.923 358 G N 0.738 109.579 108.800 0.068 0.000 2.176 358 G HA2 -0.274 3.689 3.960 0.004 0.000 0.253 358 G HA3 -0.274 3.689 3.960 0.004 0.000 0.253 358 G C 0.717 175.690 174.900 0.121 0.000 0.979 358 G CA 0.113 45.273 45.100 0.101 0.000 0.641 358 G HN 0.439 nan 8.290 nan 0.000 0.530 359 L N 2.022 123.283 121.223 0.064 0.000 2.131 359 L HA 0.032 4.374 4.340 0.004 0.000 0.210 359 L C 2.954 180.078 176.870 0.424 0.000 1.092 359 L CA 2.971 57.891 54.840 0.132 0.000 0.759 359 L CB -0.805 40.995 42.059 -0.433 0.000 0.903 359 L HN 0.750 nan 8.230 nan 0.000 0.435 360 S N -2.939 113.001 115.700 0.400 0.000 2.528 360 S HA -0.022 4.451 4.470 0.004 0.000 0.219 360 S C 1.315 176.076 174.600 0.268 0.000 0.985 360 S CA 0.351 58.760 58.200 0.348 0.000 0.914 360 S CB -0.118 63.261 63.200 0.299 0.000 0.776 360 S HN 0.342 nan 8.310 nan 0.000 0.526 361 D N 1.313 121.862 120.400 0.248 0.000 2.427 361 D HA 0.258 4.901 4.640 0.004 0.000 0.224 361 D C 0.129 176.558 176.300 0.216 0.000 1.157 361 D CA -0.200 53.931 54.000 0.218 0.000 0.828 361 D CB 0.240 41.147 40.800 0.179 0.000 0.974 361 D HN 0.641 nan 8.370 nan 0.000 0.498 362 C N -1.257 118.199 119.300 0.261 0.000 3.318 362 C HA 0.900 5.363 4.460 0.004 0.000 0.322 362 C C -1.045 174.143 174.990 0.330 0.000 1.398 362 C CA -1.258 57.901 59.018 0.234 0.000 1.339 362 C CB 0.562 28.376 27.740 0.124 0.000 1.668 362 C HN 0.228 nan 8.230 nan 0.000 0.462 363 Y N -0.729 119.654 120.300 0.137 0.000 2.744 363 Y HA 0.861 5.414 4.550 0.004 0.000 0.330 363 Y C 0.515 176.477 175.900 0.104 0.000 1.263 363 Y CA -0.033 58.102 58.100 0.058 0.000 1.065 363 Y CB 0.449 38.895 38.460 -0.023 0.000 1.306 363 Y HN 2.409 nan 8.280 nan 0.000 0.459 364 G N 1.153 110.054 108.800 0.167 0.000 2.564 364 G HA2 -0.335 3.628 3.960 0.004 0.000 0.273 364 G HA3 -0.335 3.628 3.960 0.004 0.000 0.273 364 G C 0.155 175.110 174.900 0.092 0.000 1.242 364 G CA 0.786 45.935 45.100 0.082 0.000 0.951 364 G HN 0.833 nan 8.290 nan 0.000 0.564 365 D N 0.277 120.682 120.400 0.008 0.000 2.149 365 D HA -0.064 4.579 4.640 0.004 0.000 0.198 365 D C 2.101 178.396 176.300 -0.008 0.000 0.990 365 D CA 1.547 55.554 54.000 0.011 0.000 0.839 365 D CB -0.331 40.453 40.800 -0.027 0.000 0.948 365 D HN 0.674 nan 8.370 nan 0.000 0.460 366 E N -0.366 119.797 120.200 -0.061 0.000 2.118 366 E HA -0.200 4.152 4.350 0.004 0.000 0.195 366 E C 1.991 178.585 176.600 -0.010 0.000 0.992 366 E CA 0.623 56.980 56.400 -0.070 0.000 0.804 366 E CB -0.188 29.437 29.700 -0.125 0.000 0.741 366 E HN 0.291 nan 8.360 nan 0.000 0.458 367 F N 1.599 121.505 119.950 -0.074 0.000 2.113 367 F HA -0.107 4.422 4.527 0.004 0.000 0.297 367 F C 1.986 177.796 175.800 0.016 0.000 1.103 367 F CA 1.632 59.626 58.000 -0.011 0.000 1.248 367 F CB -0.016 39.020 39.000 0.060 0.000 0.999 367 F HN -0.018 nan 8.300 nan 0.000 0.475 368 E N 0.594 120.829 120.200 0.058 0.000 2.085 368 E HA -0.227 4.125 4.350 0.004 0.000 0.194 368 E C 2.381 178.922 176.600 -0.099 0.000 0.994 368 E CA 1.030 57.419 56.400 -0.018 0.000 0.801 368 E CB -0.460 29.312 29.700 0.121 0.000 0.743 368 E HN 0.550 nan 8.360 nan 0.000 0.453 369 A N 1.406 124.163 122.820 -0.104 0.000 1.858 369 A HA -0.182 4.141 4.320 0.004 0.000 0.216 369 A C 2.197 179.632 177.584 -0.249 0.000 1.190 369 A CA 1.135 53.090 52.037 -0.137 0.000 0.617 369 A CB -0.681 18.249 19.000 -0.117 0.000 0.827 369 A HN 0.198 nan 8.150 nan 0.000 0.443 370 L N -1.675 119.343 121.223 -0.342 0.000 1.989 370 L HA -0.178 4.165 4.340 0.004 0.000 0.211 370 L C 2.352 178.804 176.870 -0.697 0.000 1.071 370 L CA 2.510 57.003 54.840 -0.579 0.000 0.749 370 L CB -0.979 40.760 42.059 -0.534 0.000 0.890 370 L HN 0.535 nan 8.230 nan 0.000 0.431 371 Y N -0.024 119.811 120.300 -0.774 0.000 2.081 371 Y HA -0.358 4.194 4.550 0.004 0.000 0.280 371 Y C 2.485 178.176 175.900 -0.348 0.000 1.163 371 Y CA 2.652 60.344 58.100 -0.681 0.000 1.135 371 Y CB -0.631 37.279 38.460 -0.917 0.000 0.970 371 Y HN 0.239 nan 8.280 nan 0.000 0.498 372 T N 0.823 115.332 114.554 -0.076 0.000 2.788 372 T HA -0.209 4.143 4.350 0.004 0.000 0.268 372 T C 1.966 176.600 174.700 -0.110 0.000 1.044 372 T CA 1.526 63.614 62.100 -0.019 0.000 1.139 372 T CB -0.312 68.566 68.868 0.016 0.000 0.867 372 T HN 0.345 nan 8.240 nan 0.000 0.454 373 R N -0.019 120.355 120.500 -0.210 0.000 2.070 373 R HA -0.095 4.248 4.340 0.004 0.000 0.233 373 R C 2.170 178.380 176.300 -0.150 0.000 1.137 373 R CA 1.576 57.550 56.100 -0.210 0.000 0.945 373 R CB -0.577 29.534 30.300 -0.315 0.000 0.845 373 R HN 0.526 nan 8.270 nan 0.000 0.430 374 Y N 0.407 120.515 120.300 -0.319 0.000 2.207 374 Y HA -0.262 4.290 4.550 0.004 0.000 0.287 374 Y C 2.578 178.379 175.900 -0.165 0.000 1.156 374 Y CA 1.245 59.110 58.100 -0.391 0.000 1.182 374 Y CB -0.069 37.860 38.460 -0.885 0.000 0.979 374 Y HN 0.389 nan 8.280 nan 0.000 0.521 375 E N 0.751 120.965 120.200 0.023 0.000 2.077 375 E HA -0.204 4.149 4.350 0.004 0.000 0.193 375 E C 1.903 178.519 176.600 0.026 0.000 0.989 375 E CA 1.183 57.616 56.400 0.055 0.000 0.800 375 E CB 0.055 29.726 29.700 -0.049 0.000 0.746 375 E HN 0.403 nan 8.360 nan 0.000 0.452 376 K N 0.212 120.615 120.400 0.004 0.000 2.155 376 K HA -0.088 4.235 4.320 0.004 0.000 0.203 376 K C 1.741 178.346 176.600 0.007 0.000 1.052 376 K CA 1.012 57.300 56.287 0.003 0.000 0.948 376 K CB 0.048 32.542 32.500 -0.009 0.000 0.728 376 K HN 0.157 nan 8.250 nan 0.000 0.448 377 E N 0.139 120.348 120.200 0.016 0.000 2.516 377 E HA -0.034 4.318 4.350 0.004 0.000 0.199 377 E C 0.539 177.151 176.600 0.020 0.000 1.069 377 E CA 0.266 56.677 56.400 0.018 0.000 0.876 377 E CB 0.042 29.761 29.700 0.032 0.000 0.843 377 E HN 0.458 nan 8.360 nan 0.000 0.530 378 G N 1.968 110.785 108.800 0.028 0.000 2.246 378 G HA2 -0.349 3.614 3.960 0.004 0.000 0.273 378 G HA3 -0.349 3.614 3.960 0.004 0.000 0.273 378 G C 0.594 175.511 174.900 0.028 0.000 1.055 378 G CA 0.331 45.442 45.100 0.018 0.000 0.851 378 G HN 0.289 nan 8.290 nan 0.000 0.500 379 R N -0.396 120.158 120.500 0.091 0.000 2.317 379 R HA 0.362 4.705 4.340 0.004 0.000 0.208 379 R C 1.618 178.027 176.300 0.180 0.000 0.914 379 R CA 0.684 56.837 56.100 0.089 0.000 1.060 379 R CB 0.459 30.735 30.300 -0.040 0.000 1.015 379 R HN 0.507 nan 8.270 nan 0.000 0.498 380 G N 0.371 109.199 108.800 0.047 0.000 3.135 380 G HA2 0.353 4.316 3.960 0.004 0.000 0.278 380 G HA3 0.353 4.316 3.960 0.004 0.000 0.278 380 G C -1.548 173.202 174.900 -0.251 0.000 1.302 380 G CA -0.581 44.347 45.100 -0.286 0.000 0.880 380 G HN -0.022 nan 8.290 nan 0.000 0.574 381 K N 0.214 120.427 120.400 -0.311 0.000 2.413 381 K HA 0.567 4.890 4.320 0.004 0.000 0.257 381 K C -0.903 175.607 176.600 -0.150 0.000 0.946 381 K CA -0.370 55.823 56.287 -0.157 0.000 0.823 381 K CB 1.494 33.948 32.500 -0.076 0.000 1.109 381 K HN 0.373 nan 8.250 nan 0.000 0.427 382 T N 4.654 119.158 114.554 -0.083 0.000 2.856 382 T HA 0.389 4.742 4.350 0.004 0.000 0.292 382 T C -0.468 174.271 174.700 0.064 0.000 0.980 382 T CA -0.396 61.693 62.100 -0.018 0.000 1.091 382 T CB 0.720 69.586 68.868 -0.003 0.000 0.936 382 T HN 0.551 nan 8.240 nan 0.000 0.503 383 I N 1.206 121.867 120.570 0.152 0.000 3.466 383 I HA 0.448 4.621 4.170 0.004 0.000 0.311 383 I C -1.138 175.123 176.117 0.240 0.000 1.155 383 I CA -1.477 59.939 61.300 0.193 0.000 0.959 383 I CB 1.794 39.944 38.000 0.250 0.000 1.332 383 I HN 0.295 nan 8.210 nan 0.000 0.483 384 K N 2.132 122.668 120.400 0.227 0.000 2.339 384 K HA 0.383 4.706 4.320 0.004 0.000 0.286 384 K C 0.647 177.432 176.600 0.308 0.000 1.050 384 K CA 0.363 56.784 56.287 0.224 0.000 0.956 384 K CB 1.142 33.743 32.500 0.168 0.000 0.990 384 K HN 0.686 nan 8.250 nan 0.000 0.475 385 A N 3.860 126.856 122.820 0.295 0.000 1.908 385 A HA -0.226 4.097 4.320 0.004 0.000 0.218 385 A C 1.833 179.566 177.584 0.247 0.000 1.181 385 A CA 1.505 53.708 52.037 0.278 0.000 0.627 385 A CB -0.278 18.769 19.000 0.077 0.000 0.818 385 A HN 0.810 nan 8.150 nan 0.000 0.445 386 Q N -0.903 119.021 119.800 0.207 0.000 2.437 386 Q HA -0.105 4.238 4.340 0.004 0.000 0.210 386 Q C 1.975 178.224 176.000 0.415 0.000 0.972 386 Q CA 1.069 57.053 55.803 0.303 0.000 0.903 386 Q CB -0.081 28.793 28.738 0.226 0.000 0.967 386 Q HN 0.721 nan 8.270 nan 0.000 0.486 387 K N 0.999 121.613 120.400 0.358 0.000 2.057 387 K HA -0.107 4.215 4.320 0.004 0.000 0.206 387 K C 1.944 178.862 176.600 0.530 0.000 1.050 387 K CA 0.667 57.190 56.287 0.393 0.000 0.935 387 K CB 0.006 32.711 32.500 0.341 0.000 0.715 387 K HN 0.230 nan 8.250 nan 0.000 0.439 388 L N 0.440 121.970 121.223 0.512 0.000 2.027 388 L HA -0.194 4.148 4.340 0.004 0.000 0.206 388 L C 2.316 179.368 176.870 0.304 0.000 1.074 388 L CA 1.229 56.229 54.840 0.267 0.000 0.745 388 L CB -0.471 41.717 42.059 0.216 0.000 0.898 388 L HN 0.548 nan 8.230 nan 0.000 0.433 389 W N -0.215 121.227 121.300 0.237 0.000 2.318 389 W HA -0.346 4.317 4.660 0.006 0.000 0.313 389 W C 2.349 178.968 176.519 0.168 0.000 1.221 389 W CA 1.824 59.273 57.345 0.173 0.000 1.266 389 W CB -0.584 28.929 29.460 0.089 0.000 1.150 389 W HN 0.199 nan 8.180 nan 0.000 0.496 390 Y N 0.757 121.161 120.300 0.173 0.000 2.242 390 Y HA -0.227 4.326 4.550 0.004 0.000 0.291 390 Y C 3.017 178.927 175.900 0.017 0.000 1.137 390 Y CA 2.432 60.575 58.100 0.072 0.000 1.181 390 Y CB -0.676 37.882 38.460 0.162 0.000 0.989 390 Y HN -0.202 nan 8.280 nan 0.000 0.527 391 S N -0.166 115.686 115.700 0.254 0.000 2.368 391 S HA -0.164 4.309 4.470 0.004 0.000 0.225 391 S C 1.907 176.494 174.600 -0.023 0.000 1.030 391 S CA 1.265 59.565 58.200 0.168 0.000 0.999 391 S CB -0.333 63.040 63.200 0.289 0.000 0.844 391 S HN 0.296 nan 8.310 nan 0.000 0.459 392 I N 1.964 122.449 120.570 -0.141 0.000 2.091 392 I HA -0.196 3.976 4.170 0.004 0.000 0.239 392 I C 2.217 178.154 176.117 -0.299 0.000 1.061 392 I CA 1.512 62.650 61.300 -0.269 0.000 1.317 392 I CB -1.667 36.085 38.000 -0.413 0.000 1.031 392 I HN 0.297 nan 8.210 nan 0.000 0.401 393 L N 0.180 121.151 121.223 -0.421 0.000 2.079 393 L HA -0.229 4.113 4.340 0.004 0.000 0.210 393 L C 2.590 179.360 176.870 -0.166 0.000 1.081 393 L CA 1.496 56.124 54.840 -0.353 0.000 0.752 393 L CB -0.612 41.149 42.059 -0.497 0.000 0.896 393 L HN 0.348 nan 8.230 nan 0.000 0.433 394 E N 0.541 120.685 120.200 -0.094 0.000 2.051 394 E HA -0.241 4.112 4.350 0.004 0.000 0.192 394 E C 2.229 178.824 176.600 -0.009 0.000 0.991 394 E CA 1.393 57.791 56.400 -0.004 0.000 0.799 394 E CB -0.039 29.706 29.700 0.076 0.000 0.748 394 E HN 0.421 nan 8.360 nan 0.000 0.449 395 A N 0.407 123.204 122.820 -0.039 0.000 1.972 395 A HA -0.224 4.099 4.320 0.004 0.000 0.219 395 A C 2.067 179.617 177.584 -0.056 0.000 1.169 395 A CA 1.589 53.592 52.037 -0.056 0.000 0.635 395 A CB -0.456 18.483 19.000 -0.101 0.000 0.810 395 A HN 0.357 nan 8.150 nan 0.000 0.446 396 Q N -0.975 118.788 119.800 -0.062 0.000 2.046 396 Q HA -0.107 4.235 4.340 0.004 0.000 0.200 396 Q C 2.183 178.189 176.000 0.010 0.000 0.975 396 Q CA 1.819 57.607 55.803 -0.024 0.000 0.836 396 Q CB -0.430 28.300 28.738 -0.013 0.000 0.896 396 Q HN 0.646 nan 8.270 nan 0.000 0.428 397 T N 1.187 115.742 114.554 0.001 0.000 2.699 397 T HA -0.207 4.146 4.350 0.004 0.000 0.268 397 T C 1.526 176.245 174.700 0.032 0.000 1.036 397 T CA 1.611 63.722 62.100 0.019 0.000 1.147 397 T CB -0.154 68.721 68.868 0.011 0.000 0.862 397 T HN 0.325 nan 8.240 nan 0.000 0.446 398 E N -0.019 120.199 120.200 0.029 0.000 2.122 398 E HA -0.035 4.317 4.350 0.004 0.000 0.190 398 E C 2.328 178.946 176.600 0.031 0.000 0.977 398 E CA 1.390 57.814 56.400 0.041 0.000 0.820 398 E CB 0.195 29.934 29.700 0.065 0.000 0.770 398 E HN 0.632 nan 8.360 nan 0.000 0.462 399 T N -4.788 109.777 114.554 0.018 0.000 2.975 399 T HA 0.323 4.675 4.350 0.004 0.000 0.261 399 T C 1.448 176.202 174.700 0.090 0.000 0.984 399 T CA 0.464 62.576 62.100 0.019 0.000 0.911 399 T CB 1.160 70.000 68.868 -0.047 0.000 1.127 399 T HN 0.224 nan 8.240 nan 0.000 0.514 400 G N 1.582 110.443 108.800 0.102 0.000 2.225 400 G HA2 -0.216 3.747 3.960 0.004 0.000 0.254 400 G HA3 -0.216 3.747 3.960 0.004 0.000 0.254 400 G C 0.301 175.303 174.900 0.170 0.000 0.988 400 G CA 0.723 45.950 45.100 0.211 0.000 0.625 400 G HN 1.418 nan 8.290 nan 0.000 0.527 401 T N -1.434 113.127 114.554 0.011 0.000 2.906 401 T HA 0.789 5.142 4.350 0.004 0.000 0.295 401 T C -3.247 171.329 174.700 -0.206 0.000 1.075 401 T CA -1.500 60.486 62.100 -0.190 0.000 1.005 401 T CB 3.812 72.463 68.868 -0.362 0.000 1.136 401 T HN 0.124 nan 8.240 nan 0.000 0.498 402 P HA 0.388 nan 4.420 nan 0.000 0.282 402 P C -0.337 176.837 177.300 -0.209 0.000 1.259 402 P CA -0.837 62.031 63.100 -0.388 0.000 0.826 402 P CB 0.497 32.006 31.700 -0.317 0.000 1.064 403 F N -0.356 119.498 119.950 -0.160 0.000 2.535 403 F HA 0.236 4.766 4.527 0.004 0.000 0.332 403 F C 0.866 176.587 175.800 -0.131 0.000 1.208 403 F CA -0.447 57.483 58.000 -0.118 0.000 1.330 403 F CB 0.181 39.130 39.000 -0.085 0.000 1.167 403 F HN -0.053 nan 8.300 nan 0.000 0.597 404 V N 2.188 122.158 119.914 0.094 0.000 2.524 404 V HA 0.390 4.513 4.120 0.004 0.000 0.297 404 V C -0.749 175.210 176.094 -0.226 0.000 1.035 404 V CA -0.636 61.578 62.300 -0.144 0.000 0.867 404 V CB 1.639 33.304 31.823 -0.264 0.000 1.004 404 V HN 0.507 nan 8.190 nan 0.000 0.426 405 V N 4.854 124.647 119.914 -0.203 0.000 2.638 405 V HA 0.471 4.594 4.120 0.004 0.000 0.306 405 V C -1.137 174.706 176.094 -0.418 0.000 1.052 405 V CA -0.897 61.312 62.300 -0.152 0.000 0.885 405 V CB 2.086 34.100 31.823 0.317 0.000 0.999 405 V HN 0.757 nan 8.190 nan 0.000 0.424 406 Y N 3.485 123.685 120.300 -0.166 0.000 2.452 406 Y HA 0.227 4.780 4.550 0.005 0.000 0.348 406 Y C 1.498 177.041 175.900 -0.595 0.000 0.985 406 Y CA -0.164 57.767 58.100 -0.282 0.000 1.214 406 Y CB 1.070 39.493 38.460 -0.060 0.000 1.136 406 Y HN 0.709 nan 8.280 nan 0.000 0.523 407 K N 1.938 121.827 120.400 -0.852 0.000 2.063 407 K HA -0.233 4.090 4.320 0.004 0.000 0.208 407 K C 0.627 176.881 176.600 -0.576 0.000 1.048 407 K CA 2.226 57.754 56.287 -1.266 0.000 0.928 407 K CB 0.115 31.805 32.500 -1.350 0.000 0.713 407 K HN 0.708 nan 8.250 nan 0.000 0.442 408 D N 0.436 120.652 120.400 -0.305 0.000 2.103 408 D HA -0.083 4.559 4.640 0.004 0.000 0.199 408 D C 1.959 178.141 176.300 -0.197 0.000 0.978 408 D CA 1.269 55.183 54.000 -0.144 0.000 0.829 408 D CB -0.240 40.563 40.800 0.005 0.000 0.981 408 D HN 0.379 nan 8.370 nan 0.000 0.464 409 A N 0.959 123.667 122.820 -0.187 0.000 1.892 409 A HA -0.230 4.093 4.320 0.004 0.000 0.218 409 A C 2.606 180.044 177.584 -0.244 0.000 1.188 409 A CA 1.561 53.452 52.037 -0.243 0.000 0.631 409 A CB -1.116 17.771 19.000 -0.187 0.000 0.822 409 A HN 0.337 nan 8.150 nan 0.000 0.447 410 C N -0.517 118.653 119.300 -0.216 0.000 2.413 410 C HA -0.118 4.345 4.460 0.004 0.000 0.276 410 C C 2.767 177.640 174.990 -0.194 0.000 1.236 410 C CA 1.258 60.189 59.018 -0.145 0.000 1.735 410 C CB -1.503 26.179 27.740 -0.097 0.000 2.031 410 C HN 0.651 nan 8.230 nan 0.000 0.474 411 N N -0.059 118.428 118.700 -0.356 0.000 2.135 411 N HA -0.084 4.659 4.740 0.004 0.000 0.186 411 N C 2.040 177.227 175.510 -0.538 0.000 1.027 411 N CA 0.796 53.490 53.050 -0.594 0.000 0.849 411 N CB -0.458 37.300 38.487 -1.215 0.000 1.002 411 N HN 0.539 nan 8.380 nan 0.000 0.425 412 R N 1.471 121.730 120.500 -0.401 0.000 2.096 412 R HA -0.031 4.311 4.340 0.004 0.000 0.235 412 R C 0.336 176.535 176.300 -0.169 0.000 1.127 412 R CA 1.272 57.279 56.100 -0.155 0.000 0.968 412 R CB 0.139 30.386 30.300 -0.088 0.000 0.861 412 R HN 0.020 nan 8.270 nan 0.000 0.440 413 K N 0.051 120.319 120.400 -0.220 0.000 2.814 413 K HA 0.144 4.467 4.320 0.004 0.000 0.213 413 K C -0.740 175.804 176.600 -0.094 0.000 1.113 413 K CA -0.199 55.972 56.287 -0.192 0.000 1.145 413 K CB 1.302 33.594 32.500 -0.347 0.000 0.948 413 K HN -0.096 nan 8.250 nan 0.000 0.464 414 S N 0.118 115.764 115.700 -0.090 0.000 2.473 414 S HA 0.181 4.653 4.470 0.004 0.000 0.307 414 S C 0.501 175.079 174.600 -0.036 0.000 1.094 414 S CA -0.763 57.406 58.200 -0.052 0.000 1.070 414 S CB 1.008 64.171 63.200 -0.062 0.000 1.019 414 S HN 0.303 nan 8.310 nan 0.000 0.480 415 N N 3.246 121.942 118.700 -0.006 0.000 2.453 415 N HA -0.022 4.721 4.740 0.004 0.000 0.183 415 N C 1.209 176.723 175.510 0.006 0.000 1.041 415 N CA 1.153 54.214 53.050 0.018 0.000 0.900 415 N CB 0.060 38.589 38.487 0.070 0.000 0.961 415 N HN 0.683 nan 8.380 nan 0.000 0.443 416 Q N -0.368 119.415 119.800 -0.029 0.000 2.322 416 Q HA 0.002 4.345 4.340 0.004 0.000 0.203 416 Q C 1.212 177.152 176.000 -0.098 0.000 0.923 416 Q CA 0.003 55.763 55.803 -0.072 0.000 0.949 416 Q CB 0.223 28.904 28.738 -0.095 0.000 1.039 416 Q HN 0.560 nan 8.270 nan 0.000 0.496 417 K N 0.497 120.855 120.400 -0.070 0.000 2.211 417 K HA -0.132 4.190 4.320 0.004 0.000 0.203 417 K C 1.357 177.915 176.600 -0.070 0.000 1.050 417 K CA 1.464 57.713 56.287 -0.064 0.000 0.945 417 K CB -0.157 32.322 32.500 -0.036 0.000 0.732 417 K HN 0.104 nan 8.250 nan 0.000 0.451 418 N N 1.951 120.603 118.700 -0.080 0.000 2.573 418 N HA -0.146 4.597 4.740 0.004 0.000 0.187 418 N C 1.428 176.845 175.510 -0.155 0.000 1.107 418 N CA 0.880 53.877 53.050 -0.089 0.000 0.918 418 N CB -0.264 38.180 38.487 -0.072 0.000 0.966 418 N HN 0.372 nan 8.380 nan 0.000 0.448 419 L N -1.226 119.832 121.223 -0.275 0.000 2.307 419 L HA 0.289 4.631 4.340 0.004 0.000 0.211 419 L C 1.375 177.791 176.870 -0.757 0.000 1.099 419 L CA 0.577 55.093 54.840 -0.540 0.000 0.816 419 L CB -0.430 41.155 42.059 -0.789 0.000 0.952 419 L HN 0.433 nan 8.230 nan 0.000 0.455 420 G N -0.837 107.667 108.800 -0.492 0.000 2.357 420 G HA2 0.048 4.010 3.960 0.004 0.000 0.289 420 G HA3 0.048 4.010 3.960 0.004 0.000 0.289 420 G C -1.408 173.522 174.900 0.051 0.000 1.302 420 G CA -0.820 44.154 45.100 -0.210 0.000 0.936 420 G HN -0.278 nan 8.290 nan 0.000 0.513 421 V N 0.922 120.996 119.914 0.267 0.000 2.498 421 V HA 0.441 4.564 4.120 0.004 0.000 0.279 421 V C 0.876 177.144 176.094 0.289 0.000 1.048 421 V CA -0.271 62.188 62.300 0.265 0.000 0.967 421 V CB 1.159 33.161 31.823 0.297 0.000 0.988 421 V HN 0.567 nan 8.190 nan 0.000 0.473 422 I N 4.917 125.603 120.570 0.194 0.000 2.395 422 I HA 0.266 4.438 4.170 0.004 0.000 0.289 422 I C 1.024 177.180 176.117 0.065 0.000 1.023 422 I CA 0.052 61.421 61.300 0.116 0.000 1.350 422 I CB 1.008 39.087 38.000 0.131 0.000 1.409 422 I HN 0.664 nan 8.210 nan 0.000 0.507 423 K N 3.540 123.682 120.400 -0.432 0.000 2.374 423 K HA 0.173 4.496 4.320 0.004 0.000 0.202 423 K C -0.072 175.578 176.600 -1.584 0.000 1.040 423 K CA 0.043 55.846 56.287 -0.807 0.000 1.085 423 K CB 0.626 32.515 32.500 -1.019 0.000 0.873 423 K HN 0.771 nan 8.250 nan 0.000 0.539 424 S N -1.776 112.929 115.700 -1.657 0.000 2.611 424 S HA 0.405 4.877 4.470 0.004 0.000 0.268 424 S C -0.576 173.135 174.600 -1.480 0.000 1.156 424 S CA -0.848 56.225 58.200 -1.879 0.000 0.817 424 S CB 1.833 64.394 63.200 -1.064 0.000 1.122 424 S HN -0.058 nan 8.310 nan 0.000 0.466 425 S N 0.452 115.202 115.700 -1.583 0.000 2.638 425 S HA 0.670 5.142 4.470 0.004 0.000 0.256 425 S C -0.313 173.950 174.600 -0.562 0.000 1.089 425 S CA -0.313 57.494 58.200 -0.655 0.000 1.020 425 S CB 0.227 63.379 63.200 -0.081 0.000 1.252 425 S HN 1.032 nan 8.310 nan 0.000 0.542 426 N N -0.072 118.574 118.700 -0.090 0.000 3.201 426 N HA 0.208 4.951 4.740 0.004 0.000 0.344 426 N C 0.721 176.362 175.510 0.217 0.000 1.465 426 N CA -0.592 52.486 53.050 0.046 0.000 0.731 426 N CB -0.151 38.333 38.487 -0.006 0.000 1.677 426 N HN 0.473 nan 8.380 nan 0.000 0.631 427 L N 0.058 121.378 121.223 0.162 0.000 2.127 427 L HA 0.013 4.355 4.340 0.004 0.000 0.211 427 L C 1.259 178.132 176.870 0.005 0.000 1.089 427 L CA 1.820 56.760 54.840 0.166 0.000 0.757 427 L CB -0.363 41.786 42.059 0.149 0.000 0.899 427 L HN 0.708 nan 8.230 nan 0.000 0.434 428 C N -1.921 117.277 119.300 -0.169 0.000 3.125 428 C HA 0.304 4.766 4.460 0.004 0.000 0.284 428 C C 1.155 175.706 174.990 -0.732 0.000 1.386 428 C CA -0.457 58.193 59.018 -0.614 0.000 1.763 428 C CB -1.752 25.725 27.740 -0.438 0.000 2.377 428 C HN 0.710 nan 8.230 nan 0.000 0.620 429 C N 2.681 121.796 119.300 -0.310 0.000 4.432 429 C HA -0.129 4.334 4.460 0.004 0.000 0.294 429 C C 1.820 176.739 174.990 -0.118 0.000 1.398 429 C CA 1.569 60.493 59.018 -0.157 0.000 1.988 429 C CB -2.493 25.084 27.740 -0.270 0.000 1.251 429 C HN 0.827 nan 8.230 nan 0.000 0.791 430 E N -0.439 119.708 120.200 -0.089 0.000 2.421 430 E HA 0.145 4.497 4.350 0.004 0.000 0.209 430 E C 0.440 177.049 176.600 0.014 0.000 0.871 430 E CA 0.286 56.681 56.400 -0.008 0.000 1.064 430 E CB 0.138 29.851 29.700 0.021 0.000 1.075 430 E HN 0.579 nan 8.360 nan 0.000 0.513 431 I N 2.911 123.473 120.570 -0.013 0.000 2.395 431 I HA 0.208 4.381 4.170 0.004 0.000 0.289 431 I C 0.016 176.119 176.117 -0.022 0.000 1.023 431 I CA -0.818 60.471 61.300 -0.019 0.000 1.350 431 I CB 1.336 39.309 38.000 -0.044 0.000 1.409 431 I HN -0.084 nan 8.210 nan 0.000 0.507 432 V N 7.553 127.465 119.914 -0.003 0.000 2.340 432 V HA 0.486 4.608 4.120 0.004 0.000 0.277 432 V C -0.508 175.582 176.094 -0.007 0.000 1.017 432 V CA -0.074 62.233 62.300 0.012 0.000 0.820 432 V CB 0.935 32.803 31.823 0.076 0.000 1.028 432 V HN 0.886 nan 8.190 nan 0.000 0.436 433 E N 4.248 124.424 120.200 -0.041 0.000 2.356 433 E HA 0.326 4.679 4.350 0.004 0.000 0.275 433 E C -1.856 174.731 176.600 -0.021 0.000 0.904 433 E CA -0.870 55.516 56.400 -0.023 0.000 0.757 433 E CB 2.799 32.481 29.700 -0.030 0.000 1.232 433 E HN 0.689 nan 8.360 nan 0.000 0.442 434 Y N 2.126 122.359 120.300 -0.112 0.000 2.442 434 Y HA 0.239 4.791 4.550 0.004 0.000 0.330 434 Y C -0.443 175.430 175.900 -0.045 0.000 1.129 434 Y CA 0.070 58.111 58.100 -0.098 0.000 1.365 434 Y CB 0.651 39.034 38.460 -0.129 0.000 1.233 434 Y HN 0.427 nan 8.280 nan 0.000 0.529 435 S N 4.465 119.717 115.700 -0.746 0.000 2.541 435 S HA 0.970 5.443 4.470 0.004 0.000 0.280 435 S C -1.059 173.160 174.600 -0.635 0.000 1.112 435 S CA -0.481 57.426 58.200 -0.489 0.000 0.925 435 S CB 1.691 64.801 63.200 -0.150 0.000 1.067 435 S HN 1.110 nan 8.310 nan 0.000 0.479 436 A N 1.843 124.464 122.820 -0.331 0.000 2.569 436 A HA 0.926 5.249 4.320 0.004 0.000 0.290 436 A C -2.541 175.013 177.584 -0.050 0.000 1.136 436 A CA -2.077 49.874 52.037 -0.144 0.000 0.710 436 A CB 0.259 19.238 19.000 -0.036 0.000 1.303 436 A HN 0.531 nan 8.150 nan 0.000 0.413 437 P HA -0.202 nan 4.420 nan 0.000 0.217 437 P C 0.567 177.868 177.300 0.001 0.000 1.151 437 P CA 2.068 65.162 63.100 -0.010 0.000 0.849 437 P CB 0.110 31.820 31.700 0.017 0.000 0.787 438 D N -1.799 118.615 120.400 0.023 0.000 2.349 438 D HA -0.005 4.637 4.640 0.004 0.000 0.214 438 D C 0.230 176.550 176.300 0.033 0.000 1.063 438 D CA 0.378 54.396 54.000 0.030 0.000 0.847 438 D CB -0.034 40.793 40.800 0.045 0.000 0.933 438 D HN 0.185 nan 8.370 nan 0.000 0.513 439 E N -0.073 120.146 120.200 0.031 0.000 2.255 439 E HA 0.281 4.634 4.350 0.004 0.000 0.256 439 E C -1.238 175.368 176.600 0.011 0.000 0.887 439 E CA -0.409 56.019 56.400 0.047 0.000 0.782 439 E CB 1.856 31.635 29.700 0.132 0.000 1.214 439 E HN -0.136 nan 8.360 nan 0.000 0.417 440 T N 2.072 116.643 114.554 0.028 0.000 2.743 440 T HA 0.411 4.763 4.350 0.004 0.000 0.292 440 T C -0.035 174.701 174.700 0.060 0.000 0.972 440 T CA -0.442 61.683 62.100 0.042 0.000 0.967 440 T CB 0.984 69.908 68.868 0.093 0.000 0.926 440 T HN 0.498 nan 8.240 nan 0.000 0.459 441 A N 3.756 126.589 122.820 0.023 0.000 2.445 441 A HA 0.603 4.926 4.320 0.004 0.000 0.242 441 A C -0.018 177.532 177.584 -0.057 0.000 1.075 441 A CA -0.283 51.758 52.037 0.007 0.000 0.777 441 A CB 0.225 19.215 19.000 -0.017 0.000 1.013 441 A HN 0.680 nan 8.150 nan 0.000 0.493 442 V N 0.553 120.405 119.914 -0.103 0.000 2.962 442 V HA 0.624 4.747 4.120 0.004 0.000 0.313 442 V C -0.305 175.681 176.094 -0.181 0.000 1.099 442 V CA -0.683 61.449 62.300 -0.279 0.000 0.971 442 V CB 1.678 33.383 31.823 -0.195 0.000 1.028 442 V HN 1.121 nan 8.190 nan 0.000 0.430 443 C N 2.581 121.739 119.300 -0.238 0.000 2.985 443 C HA 0.590 5.053 4.460 0.004 0.000 0.314 443 C C -1.073 173.856 174.990 -0.101 0.000 1.215 443 C CA -0.593 58.354 59.018 -0.119 0.000 1.414 443 C CB 1.825 29.520 27.740 -0.076 0.000 1.842 443 C HN 0.956 nan 8.230 nan 0.000 0.477 444 N N 3.881 122.559 118.700 -0.037 0.000 2.342 444 N HA 0.703 5.446 4.740 0.004 0.000 0.293 444 N C -1.320 174.203 175.510 0.023 0.000 1.026 444 N CA -0.273 52.778 53.050 0.002 0.000 0.857 444 N CB 1.669 40.169 38.487 0.023 0.000 1.256 444 N HN 0.553 nan 8.380 nan 0.000 0.484 445 L N 0.818 122.065 121.223 0.041 0.000 2.341 445 L HA 0.945 5.287 4.340 0.004 0.000 0.267 445 L C -0.201 176.682 176.870 0.021 0.000 1.009 445 L CA -1.048 53.809 54.840 0.029 0.000 0.819 445 L CB 1.920 43.995 42.059 0.027 0.000 1.323 445 L HN 0.470 nan 8.230 nan 0.000 0.425 446 A N 0.971 123.764 122.820 -0.046 0.000 2.594 446 A HA 0.783 5.106 4.320 0.004 0.000 0.295 446 A C -0.948 176.601 177.584 -0.060 0.000 1.071 446 A CA -0.475 51.480 52.037 -0.138 0.000 0.685 446 A CB 2.072 20.803 19.000 -0.447 0.000 1.285 446 A HN 0.697 nan 8.150 nan 0.000 0.405 447 S N 0.203 115.899 115.700 -0.007 0.000 2.521 447 S HA 0.721 5.194 4.470 0.004 0.000 0.295 447 S C -0.669 173.993 174.600 0.103 0.000 1.098 447 S CA -0.683 57.543 58.200 0.043 0.000 0.999 447 S CB 1.390 64.629 63.200 0.065 0.000 1.034 447 S HN 1.081 nan 8.310 nan 0.000 0.483 448 V N 2.225 122.186 119.914 0.079 0.000 2.498 448 V HA 0.608 4.731 4.120 0.004 0.000 0.279 448 V C 0.706 176.887 176.094 0.145 0.000 1.048 448 V CA -0.496 61.897 62.300 0.155 0.000 0.967 448 V CB 1.121 32.974 31.823 0.050 0.000 0.988 448 V HN 1.140 nan 8.190 nan 0.000 0.473 449 A N 5.573 128.517 122.820 0.206 0.000 2.527 449 A HA 0.438 4.761 4.320 0.004 0.000 0.313 449 A C 1.067 178.694 177.584 0.071 0.000 1.410 449 A CA -0.299 51.758 52.037 0.033 0.000 1.060 449 A CB -0.255 18.755 19.000 0.016 0.000 1.137 449 A HN 0.925 nan 8.150 nan 0.000 0.542 450 L N 2.500 123.722 121.223 -0.001 0.000 2.127 450 L HA -0.109 4.234 4.340 0.004 0.000 0.211 450 L C -0.592 176.367 176.870 0.149 0.000 1.089 450 L CA 1.200 56.119 54.840 0.131 0.000 0.757 450 L CB -1.147 40.878 42.059 -0.057 0.000 0.899 450 L HN 0.427 nan 8.230 nan 0.000 0.434 451 P HA -0.129 nan 4.420 nan 0.000 0.225 451 P C 1.215 178.388 177.300 -0.212 0.000 1.148 451 P CA 1.253 64.230 63.100 -0.205 0.000 0.779 451 P CB 0.007 31.450 31.700 -0.427 0.000 0.780 452 A N -1.817 120.778 122.820 -0.374 0.000 2.209 452 A HA -0.024 4.299 4.320 0.004 0.000 0.212 452 A C 1.098 178.165 177.584 -0.863 0.000 1.158 452 A CA 0.822 52.409 52.037 -0.750 0.000 0.742 452 A CB -1.347 16.938 19.000 -1.191 0.000 0.790 452 A HN 0.162 nan 8.150 nan 0.000 0.472 453 F N -0.822 118.957 119.950 -0.285 0.000 2.661 453 F HA 0.400 4.930 4.527 0.005 0.000 0.306 453 F C 0.281 175.697 175.800 -0.639 0.000 1.094 453 F CA -0.582 57.132 58.000 -0.476 0.000 1.254 453 F CB 0.044 38.613 39.000 -0.719 0.000 1.040 453 F HN -0.047 nan 8.300 nan 0.000 0.562 454 I N 1.495 121.926 120.570 -0.232 0.000 2.416 454 I HA 0.112 4.285 4.170 0.004 0.000 0.288 454 I C -0.175 175.873 176.117 -0.115 0.000 1.051 454 I CA 0.273 61.502 61.300 -0.117 0.000 1.375 454 I CB 0.620 38.608 38.000 -0.020 0.000 1.407 454 I HN 0.110 nan 8.210 nan 0.000 0.516 455 E N 4.188 124.337 120.200 -0.086 0.000 2.224 455 E HA 0.256 4.609 4.350 0.004 0.000 0.265 455 E C -0.815 175.768 176.600 -0.028 0.000 0.878 455 E CA -0.718 55.648 56.400 -0.057 0.000 0.759 455 E CB 1.832 31.500 29.700 -0.054 0.000 1.164 455 E HN 0.426 nan 8.360 nan 0.000 0.414 456 T N 2.225 116.766 114.554 -0.022 0.000 2.831 456 T HA -0.016 4.337 4.350 0.004 0.000 0.291 456 T C 0.421 175.117 174.700 -0.007 0.000 0.981 456 T CA 0.534 62.628 62.100 -0.009 0.000 1.174 456 T CB 0.411 69.274 68.868 -0.008 0.000 0.929 456 T HN 0.322 nan 8.240 nan 0.000 0.532 457 S N 2.315 118.015 115.700 0.000 0.000 2.596 457 S HA 0.030 4.503 4.470 0.004 0.000 0.260 457 S C 0.946 175.546 174.600 0.001 0.000 1.336 457 S CA -0.557 57.645 58.200 0.003 0.000 0.993 457 S CB 0.421 63.626 63.200 0.009 0.000 0.923 457 S HN 0.755 nan 8.310 nan 0.000 0.567 458 E N 1.310 121.511 120.200 0.001 0.000 3.265 458 E HA -0.008 4.345 4.350 0.004 0.000 0.262 458 E C 0.192 176.792 176.600 0.000 0.000 1.480 458 E CA 0.706 57.105 56.400 -0.000 0.000 1.548 458 E CB -0.497 29.203 29.700 -0.001 0.000 1.330 458 E HN 0.601 nan 8.360 nan 0.000 0.431 459 D N -1.616 118.785 120.400 0.001 0.000 2.788 459 D HA 0.028 4.671 4.640 0.004 0.000 0.447 459 D C 0.677 176.979 176.300 0.002 0.000 1.215 459 D CA 0.214 54.215 54.000 0.001 0.000 1.028 459 D CB -0.843 39.959 40.800 0.002 0.000 1.694 459 D HN 0.282 nan 8.370 nan 0.000 0.352 460 G N 3.269 112.070 108.800 0.002 0.000 2.877 460 G HA2 -0.300 3.662 3.960 0.004 0.000 0.279 460 G HA3 -0.300 3.662 3.960 0.004 0.000 0.279 460 G C 0.583 175.486 174.900 0.005 0.000 1.431 460 G CA 1.759 46.861 45.100 0.003 0.000 0.883 460 G HN 0.895 nan 8.290 nan 0.000 0.547 461 K N -3.182 117.222 120.400 0.007 0.000 6.796 461 K HA -0.295 4.027 4.320 0.004 0.000 0.469 461 K C 0.854 177.460 176.600 0.010 0.000 0.368 461 K CA 3.057 59.350 56.287 0.010 0.000 1.945 461 K CB -1.921 30.584 32.500 0.009 0.000 0.693 461 K HN 2.269 nan 8.250 nan 0.000 0.773 462 T N 1.114 115.674 114.554 0.010 0.000 2.837 462 T HA 0.512 4.864 4.350 0.004 0.000 0.285 462 T C -0.592 174.115 174.700 0.012 0.000 0.984 462 T CA -0.070 62.037 62.100 0.012 0.000 1.049 462 T CB 1.505 70.381 68.868 0.013 0.000 0.947 462 T HN 0.364 nan 8.240 nan 0.000 0.472 463 S N 2.915 118.624 115.700 0.016 0.000 2.475 463 S HA 0.679 5.152 4.470 0.004 0.000 0.298 463 S C 0.167 174.787 174.600 0.033 0.000 1.119 463 S CA -0.793 57.417 58.200 0.017 0.000 1.085 463 S CB 1.416 64.624 63.200 0.014 0.000 1.028 463 S HN 0.985 nan 8.310 nan 0.000 0.489 464 T N 0.310 114.884 114.554 0.032 0.000 2.905 464 T HA 0.613 4.966 4.350 0.004 0.000 0.283 464 T C -1.347 173.387 174.700 0.056 0.000 1.031 464 T CA -0.652 61.484 62.100 0.059 0.000 1.002 464 T CB 0.807 69.707 68.868 0.052 0.000 1.200 464 T HN 0.442 nan 8.240 nan 0.000 0.560 465 Y N 1.366 121.604 120.300 -0.104 0.000 2.328 465 Y HA 0.458 5.010 4.550 0.005 0.000 0.337 465 Y C 0.019 175.697 175.900 -0.371 0.000 0.966 465 Y CA -1.288 56.623 58.100 -0.316 0.000 1.136 465 Y CB 1.234 39.337 38.460 -0.595 0.000 1.170 465 Y HN 0.686 nan 8.280 nan 0.000 0.470 466 N N 5.978 124.277 118.700 -0.669 0.000 2.605 466 N HA 0.037 4.780 4.740 0.004 0.000 0.258 466 N C 0.167 175.490 175.510 -0.311 0.000 1.156 466 N CA 0.354 53.212 53.050 -0.320 0.000 1.008 466 N CB -0.318 38.092 38.487 -0.129 0.000 1.354 466 N HN 0.697 nan 8.380 nan 0.000 0.509 467 F N 1.348 121.334 119.950 0.059 0.000 2.365 467 F HA -0.016 4.514 4.527 0.004 0.000 0.300 467 F C 2.035 178.001 175.800 0.277 0.000 1.090 467 F CA 0.709 58.825 58.000 0.195 0.000 1.408 467 F CB 0.289 39.437 39.000 0.247 0.000 1.060 467 F HN 0.315 nan 8.300 nan 0.000 0.534 468 K N 0.124 120.730 120.400 0.343 0.000 2.062 468 K HA -0.108 4.214 4.320 0.004 0.000 0.205 468 K C 2.170 178.903 176.600 0.222 0.000 1.051 468 K CA 0.786 57.259 56.287 0.311 0.000 0.941 468 K CB -0.036 32.564 32.500 0.167 0.000 0.719 468 K HN -0.042 nan 8.250 nan 0.000 0.440 469 K N 0.889 121.384 120.400 0.158 0.000 2.025 469 K HA -0.115 4.207 4.320 0.004 0.000 0.207 469 K C 2.142 178.819 176.600 0.128 0.000 1.049 469 K CA 0.838 57.237 56.287 0.187 0.000 0.933 469 K CB -0.350 32.332 32.500 0.302 0.000 0.714 469 K HN 0.051 nan 8.250 nan 0.000 0.438 470 L N 1.308 122.420 121.223 -0.186 0.000 2.012 470 L HA -0.229 4.114 4.340 0.004 0.000 0.210 470 L C 2.483 179.206 176.870 -0.244 0.000 1.073 470 L CA 1.956 56.414 54.840 -0.637 0.000 0.748 470 L CB -0.850 40.805 42.059 -0.674 0.000 0.891 470 L HN 0.348 nan 8.230 nan 0.000 0.431 471 H N -0.222 118.751 119.070 -0.162 0.000 2.319 471 H HA -0.260 4.299 4.556 0.004 0.000 0.297 471 H C 2.181 177.399 175.328 -0.183 0.000 1.097 471 H CA 2.296 58.189 56.048 -0.258 0.000 1.285 471 H CB 0.077 29.624 29.762 -0.359 0.000 1.368 471 H HN 0.648 nan 8.280 nan 0.000 0.495 472 E N -0.130 120.105 120.200 0.058 0.000 2.058 472 E HA -0.157 4.195 4.350 0.004 0.000 0.194 472 E C 2.275 178.846 176.600 -0.049 0.000 0.997 472 E CA 1.341 57.752 56.400 0.018 0.000 0.801 472 E CB -0.025 29.704 29.700 0.048 0.000 0.746 472 E HN 0.281 nan 8.360 nan 0.000 0.450 473 I N 1.572 122.131 120.570 -0.019 0.000 2.226 473 I HA -0.186 3.987 4.170 0.004 0.000 0.245 473 I C 2.454 178.467 176.117 -0.174 0.000 1.100 473 I CA 1.430 62.723 61.300 -0.010 0.000 1.374 473 I CB -1.018 37.136 38.000 0.257 0.000 1.057 473 I HN 0.233 nan 8.210 nan 0.000 0.413 474 A N -0.091 122.594 122.820 -0.225 0.000 1.972 474 A HA -0.202 4.121 4.320 0.004 0.000 0.219 474 A C 2.322 179.740 177.584 -0.277 0.000 1.169 474 A CA 1.421 53.289 52.037 -0.281 0.000 0.635 474 A CB -0.444 18.364 19.000 -0.321 0.000 0.810 474 A HN 0.320 nan 8.150 nan 0.000 0.446 475 K N -0.386 119.855 120.400 -0.264 0.000 2.025 475 K HA -0.049 4.274 4.320 0.004 0.000 0.207 475 K C 1.986 178.495 176.600 -0.153 0.000 1.049 475 K CA 1.299 57.460 56.287 -0.209 0.000 0.933 475 K CB -0.572 31.824 32.500 -0.173 0.000 0.714 475 K HN 0.343 nan 8.250 nan 0.000 0.438 476 V N 1.586 121.413 119.914 -0.145 0.000 2.282 476 V HA -0.240 3.883 4.120 0.004 0.000 0.249 476 V C 2.489 178.474 176.094 -0.182 0.000 1.057 476 V CA 1.652 63.884 62.300 -0.114 0.000 1.032 476 V CB -0.474 31.304 31.823 -0.075 0.000 0.645 476 V HN 0.031 nan 8.190 nan 0.000 0.447 477 V N -0.386 119.301 119.914 -0.377 0.000 2.358 477 V HA -0.258 3.864 4.120 0.004 0.000 0.246 477 V C 2.545 178.521 176.094 -0.196 0.000 1.047 477 V CA 2.477 64.510 62.300 -0.445 0.000 1.035 477 V CB -1.102 30.346 31.823 -0.625 0.000 0.658 477 V HN 0.617 nan 8.190 nan 0.000 0.452 478 T N 0.033 114.488 114.554 -0.164 0.000 2.665 478 T HA -0.242 4.111 4.350 0.004 0.000 0.268 478 T C 2.049 176.721 174.700 -0.046 0.000 1.035 478 T CA 1.776 63.818 62.100 -0.096 0.000 1.151 478 T CB -0.274 68.527 68.868 -0.111 0.000 0.862 478 T HN 0.464 nan 8.240 nan 0.000 0.438 479 R N 0.877 121.356 120.500 -0.035 0.000 2.092 479 R HA -0.014 4.328 4.340 0.004 0.000 0.231 479 R C 2.407 178.737 176.300 0.049 0.000 1.119 479 R CA 1.209 57.319 56.100 0.017 0.000 0.970 479 R CB -0.353 29.971 30.300 0.040 0.000 0.864 479 R HN 0.339 nan 8.270 nan 0.000 0.440 480 N N 1.122 119.860 118.700 0.064 0.000 2.043 480 N HA -0.140 4.603 4.740 0.004 0.000 0.193 480 N C 1.862 177.400 175.510 0.046 0.000 1.037 480 N CA 1.241 54.326 53.050 0.058 0.000 0.851 480 N CB -0.361 38.265 38.487 0.232 0.000 1.027 480 N HN 0.150 nan 8.380 nan 0.000 0.422 481 L N 0.621 121.895 121.223 0.084 0.000 2.131 481 L HA -0.092 4.250 4.340 0.004 0.000 0.210 481 L C 1.939 178.829 176.870 0.034 0.000 1.092 481 L CA 0.768 55.652 54.840 0.073 0.000 0.759 481 L CB -0.396 41.691 42.059 0.046 0.000 0.903 481 L HN 0.250 nan 8.230 nan 0.000 0.435 482 N N 0.058 118.771 118.700 0.021 0.000 2.084 482 N HA -0.153 4.590 4.740 0.004 0.000 0.190 482 N C 1.962 177.485 175.510 0.021 0.000 1.030 482 N CA 1.063 54.126 53.050 0.022 0.000 0.849 482 N CB -0.060 38.439 38.487 0.020 0.000 1.012 482 N HN 0.298 nan 8.380 nan 0.000 0.423 483 R N 0.907 121.408 120.500 0.002 0.000 2.103 483 R HA -0.084 4.259 4.340 0.004 0.000 0.242 483 R C 2.254 178.542 176.300 -0.021 0.000 1.142 483 R CA 0.788 56.877 56.100 -0.019 0.000 0.960 483 R CB -0.978 29.267 30.300 -0.091 0.000 0.858 483 R HN 0.127 nan 8.270 nan 0.000 0.439 484 V N 1.711 121.607 119.914 -0.030 0.000 2.332 484 V HA -0.255 3.868 4.120 0.004 0.000 0.248 484 V C 2.449 178.554 176.094 0.018 0.000 1.055 484 V CA 1.722 64.009 62.300 -0.022 0.000 1.038 484 V CB -0.496 31.319 31.823 -0.012 0.000 0.651 484 V HN 0.234 nan 8.190 nan 0.000 0.450 485 I N 0.209 120.812 120.570 0.056 0.000 2.145 485 I HA -0.312 3.860 4.170 0.004 0.000 0.244 485 I C 2.240 178.456 176.117 0.165 0.000 1.075 485 I CA 1.974 63.351 61.300 0.128 0.000 1.332 485 I CB -0.442 37.619 38.000 0.101 0.000 1.033 485 I HN 0.356 nan 8.210 nan 0.000 0.410 486 D N 0.035 120.496 120.400 0.102 0.000 2.234 486 D HA -0.059 4.584 4.640 0.004 0.000 0.205 486 D C 2.105 178.464 176.300 0.098 0.000 0.962 486 D CA 0.890 54.952 54.000 0.104 0.000 0.855 486 D CB -0.033 40.808 40.800 0.068 0.000 0.951 486 D HN 0.346 nan 8.370 nan 0.000 0.500 487 R N 0.099 120.636 120.500 0.061 0.000 2.312 487 R HA 0.106 4.449 4.340 0.004 0.000 0.205 487 R C 0.393 176.715 176.300 0.035 0.000 0.904 487 R CA -0.346 55.783 56.100 0.048 0.000 1.052 487 R CB 0.217 30.528 30.300 0.019 0.000 1.014 487 R HN -0.034 nan 8.270 nan 0.000 0.503 488 N N 0.464 119.156 118.700 -0.013 0.000 2.518 488 N HA -0.093 4.650 4.740 0.004 0.000 0.266 488 N C -1.312 174.090 175.510 -0.180 0.000 1.196 488 N CA 0.092 53.038 53.050 -0.174 0.000 0.947 488 N CB 0.403 38.616 38.487 -0.456 0.000 1.098 488 N HN -0.020 nan 8.380 nan 0.000 0.450 489 Y N 3.335 123.485 120.300 -0.250 0.000 2.341 489 Y HA 0.293 4.846 4.550 0.004 0.000 0.340 489 Y C -1.066 174.682 175.900 -0.253 0.000 0.997 489 Y CA -0.504 57.508 58.100 -0.146 0.000 1.149 489 Y CB 0.139 38.576 38.460 -0.039 0.000 1.171 489 Y HN 0.480 nan 8.280 nan 0.000 0.494 490 Y N 8.232 128.313 120.300 -0.366 0.000 2.327 490 Y HA 0.243 4.795 4.550 0.004 0.000 0.336 490 Y C -1.221 174.505 175.900 -0.290 0.000 1.035 490 Y CA -2.174 55.816 58.100 -0.183 0.000 1.165 490 Y CB 0.720 39.115 38.460 -0.107 0.000 1.181 490 Y HN 0.572 nan 8.280 nan 0.000 0.494 491 P HA -0.100 nan 4.420 nan 0.000 0.218 491 P C -0.160 177.124 177.300 -0.026 0.000 1.149 491 P CA 1.173 64.262 63.100 -0.019 0.000 0.817 491 P CB 0.389 32.029 31.700 -0.099 0.000 0.785 492 V N -4.255 115.664 119.914 0.010 0.000 3.049 492 V HA 0.460 4.582 4.120 0.004 0.000 0.309 492 V C 1.337 177.442 176.094 0.018 0.000 1.148 492 V CA -0.836 61.465 62.300 0.002 0.000 0.990 492 V CB 2.004 33.819 31.823 -0.013 0.000 1.039 492 V HN -0.237 nan 8.190 nan 0.000 0.430 493 E N 1.910 122.106 120.200 -0.005 0.000 2.160 493 E HA -0.197 4.156 4.350 0.004 0.000 0.195 493 E C 1.498 178.080 176.600 -0.030 0.000 0.991 493 E CA 2.330 58.716 56.400 -0.023 0.000 0.810 493 E CB -0.091 29.599 29.700 -0.017 0.000 0.742 493 E HN 0.896 nan 8.360 nan 0.000 0.466 494 E N 0.104 120.301 120.200 -0.005 0.000 2.153 494 E HA -0.120 4.233 4.350 0.004 0.000 0.194 494 E C 1.920 178.522 176.600 0.004 0.000 0.988 494 E CA 1.402 57.803 56.400 0.002 0.000 0.811 494 E CB -0.386 29.322 29.700 0.013 0.000 0.746 494 E HN 0.431 nan 8.360 nan 0.000 0.466 495 A N 0.961 123.808 122.820 0.045 0.000 1.898 495 A HA -0.162 4.161 4.320 0.004 0.000 0.216 495 A C 2.141 179.583 177.584 -0.238 0.000 1.181 495 A CA 1.482 53.568 52.037 0.082 0.000 0.620 495 A CB -0.379 18.858 19.000 0.395 0.000 0.819 495 A HN 0.102 nan 8.150 nan 0.000 0.442 496 R N 0.036 120.306 120.500 -0.383 0.000 2.073 496 R HA -0.175 4.168 4.340 0.004 0.000 0.234 496 R C 2.291 178.327 176.300 -0.440 0.000 1.134 496 R CA 1.996 57.638 56.100 -0.764 0.000 0.952 496 R CB -0.339 29.713 30.300 -0.414 0.000 0.850 496 R HN 0.546 nan 8.270 nan 0.000 0.433 497 K N 0.010 120.274 120.400 -0.227 0.000 2.044 497 K HA -0.175 4.148 4.320 0.004 0.000 0.210 497 K C 2.182 178.684 176.600 -0.163 0.000 1.049 497 K CA 2.013 58.210 56.287 -0.150 0.000 0.927 497 K CB -0.309 32.149 32.500 -0.070 0.000 0.713 497 K HN 0.120 nan 8.250 nan 0.000 0.443 498 S N 0.445 116.078 115.700 -0.112 0.000 2.351 498 S HA -0.187 4.285 4.470 0.004 0.000 0.220 498 S C 1.862 176.389 174.600 -0.121 0.000 1.035 498 S CA 1.847 60.024 58.200 -0.039 0.000 1.031 498 S CB -0.486 62.750 63.200 0.060 0.000 0.928 498 S HN 0.414 nan 8.310 nan 0.000 0.433 499 N N 0.421 119.025 118.700 -0.160 0.000 2.166 499 N HA 0.020 4.763 4.740 0.004 0.000 0.186 499 N C 1.745 177.174 175.510 -0.134 0.000 1.019 499 N CA 1.443 54.418 53.050 -0.124 0.000 0.856 499 N CB -0.289 38.122 38.487 -0.127 0.000 0.993 499 N HN 0.350 nan 8.380 nan 0.000 0.426 500 M N 0.063 119.542 119.600 -0.202 0.000 2.254 500 M HA 0.017 4.500 4.480 0.004 0.000 0.265 500 M C 1.890 178.118 176.300 -0.120 0.000 1.066 500 M CA 1.021 56.244 55.300 -0.129 0.000 1.123 500 M CB -0.846 31.674 32.600 -0.134 0.000 1.388 500 M HN 0.139 nan 8.290 nan 0.000 0.425 501 R N -0.687 119.666 120.500 -0.245 0.000 2.066 501 R HA -0.114 4.229 4.340 0.004 0.000 0.232 501 R C 1.855 178.022 176.300 -0.223 0.000 1.131 501 R CA 1.215 57.114 56.100 -0.337 0.000 0.955 501 R CB -0.072 29.839 30.300 -0.649 0.000 0.851 501 R HN 0.519 nan 8.270 nan 0.000 0.432 502 H N -1.039 118.079 119.070 0.080 0.000 2.855 502 H HA 0.281 4.840 4.556 0.005 0.000 0.259 502 H C 0.109 175.320 175.328 -0.194 0.000 0.972 502 H CA -0.077 55.966 56.048 -0.008 0.000 1.213 502 H CB 0.549 30.288 29.762 -0.038 0.000 1.451 502 H HN 0.050 nan 8.280 nan 0.000 0.484 503 R N 0.536 121.032 120.500 -0.007 0.000 3.333 503 R HA -0.105 4.237 4.340 0.004 0.000 0.256 503 R C -2.550 173.713 176.300 -0.062 0.000 1.010 503 R CA 0.226 56.311 56.100 -0.024 0.000 0.680 503 R CB -1.920 28.380 30.300 0.000 0.000 1.102 503 R HN 0.382 nan 8.270 nan 0.000 0.440 504 P HA 0.296 nan 4.420 nan 0.000 0.274 504 P C -0.074 177.213 177.300 -0.022 0.000 1.237 504 P CA -0.146 62.922 63.100 -0.054 0.000 0.793 504 P CB 0.870 32.548 31.700 -0.037 0.000 0.977 505 I N 0.254 120.817 120.570 -0.013 0.000 3.095 505 I HA 0.596 4.769 4.170 0.004 0.000 0.310 505 I C -1.054 175.068 176.117 0.008 0.000 1.196 505 I CA -1.084 60.217 61.300 0.000 0.000 0.985 505 I CB 2.133 40.134 38.000 0.002 0.000 1.250 505 I HN 0.442 nan 8.210 nan 0.000 0.446 506 A N 4.872 127.698 122.820 0.009 0.000 2.457 506 A HA 0.754 5.077 4.320 0.004 0.000 0.283 506 A C -1.656 175.938 177.584 0.017 0.000 1.166 506 A CA -0.313 51.737 52.037 0.021 0.000 0.740 506 A CB 0.435 19.447 19.000 0.020 0.000 1.181 506 A HN 0.483 nan 8.150 nan 0.000 0.446 507 L N 2.138 123.375 121.223 0.024 0.000 2.312 507 L HA 0.743 5.085 4.340 0.004 0.000 0.281 507 L C 0.958 177.863 176.870 0.058 0.000 1.070 507 L CA 0.741 55.585 54.840 0.006 0.000 0.805 507 L CB 1.821 43.869 42.059 -0.018 0.000 1.174 507 L HN 0.824 nan 8.230 nan 0.000 0.434 508 G N 1.425 110.258 108.800 0.055 0.000 3.176 508 G HA2 0.770 4.733 3.960 0.004 0.000 0.272 508 G HA3 0.770 4.733 3.960 0.004 0.000 0.272 508 G C -1.345 173.602 174.900 0.079 0.000 1.349 508 G CA -0.165 45.011 45.100 0.125 0.000 0.953 508 G HN 0.647 nan 8.290 nan 0.000 0.559 509 V N -2.327 117.667 119.914 0.132 0.000 3.078 509 V HA 0.914 5.036 4.120 0.004 0.000 0.311 509 V C -1.049 175.100 176.094 0.092 0.000 1.138 509 V CA -0.848 61.494 62.300 0.070 0.000 1.007 509 V CB 1.338 33.169 31.823 0.013 0.000 1.045 509 V HN 1.194 nan 8.190 nan 0.000 0.432 510 Q N 1.001 120.830 119.800 0.048 0.000 2.456 510 Q HA 0.749 5.091 4.340 0.004 0.000 0.284 510 Q C 0.291 176.270 176.000 -0.035 0.000 1.061 510 Q CA -0.625 55.206 55.803 0.046 0.000 0.799 510 Q CB 1.806 30.601 28.738 0.096 0.000 1.445 510 Q HN 2.496 nan 8.270 nan 0.000 0.411 511 G N 0.889 109.690 108.800 0.001 0.000 2.272 511 G HA2 -0.259 3.703 3.960 0.004 0.000 0.280 511 G HA3 -0.259 3.703 3.960 0.004 0.000 0.280 511 G C 0.166 174.986 174.900 -0.133 0.000 1.067 511 G CA 0.455 45.513 45.100 -0.070 0.000 0.902 511 G HN 0.634 nan 8.290 nan 0.000 0.500 512 L N -0.773 120.392 121.223 -0.097 0.000 2.046 512 L HA -0.003 4.340 4.340 0.004 0.000 0.208 512 L C 3.064 179.716 176.870 -0.364 0.000 1.077 512 L CA 2.406 57.063 54.840 -0.305 0.000 0.747 512 L CB -0.619 41.344 42.059 -0.160 0.000 0.896 512 L HN 0.554 nan 8.230 nan 0.000 0.432 513 A N 0.202 123.037 122.820 0.024 0.000 1.858 513 A HA -0.280 4.043 4.320 0.004 0.000 0.216 513 A C 1.701 179.396 177.584 0.185 0.000 1.190 513 A CA 2.149 54.328 52.037 0.237 0.000 0.617 513 A CB -0.774 18.411 19.000 0.308 0.000 0.827 513 A HN 0.508 nan 8.150 nan 0.000 0.443 514 D N -0.471 120.032 120.400 0.171 0.000 2.116 514 D HA -0.116 4.527 4.640 0.004 0.000 0.193 514 D C 1.923 178.170 176.300 -0.090 0.000 0.998 514 D CA 1.909 56.008 54.000 0.165 0.000 0.836 514 D CB -0.737 40.247 40.800 0.307 0.000 0.951 514 D HN 0.409 nan 8.370 nan 0.000 0.449 515 T N 0.310 114.780 114.554 -0.139 0.000 2.720 515 T HA -0.152 4.200 4.350 0.004 0.000 0.268 515 T C 1.513 176.196 174.700 -0.027 0.000 1.037 515 T CA 0.805 62.815 62.100 -0.151 0.000 1.144 515 T CB -0.333 68.373 68.868 -0.270 0.000 0.864 515 T HN 0.053 nan 8.240 nan 0.000 0.444 516 F N 0.905 120.803 119.950 -0.086 0.000 2.163 516 F HA 0.171 4.701 4.527 0.004 0.000 0.297 516 F C 2.321 178.072 175.800 -0.082 0.000 1.094 516 F CA 0.167 58.108 58.000 -0.097 0.000 1.290 516 F CB -0.987 37.959 39.000 -0.089 0.000 1.017 516 F HN 0.159 nan 8.300 nan 0.000 0.483 517 M N -0.870 118.814 119.600 0.140 0.000 2.066 517 M HA -0.219 4.263 4.480 0.004 0.000 0.259 517 M C 2.198 178.443 176.300 -0.091 0.000 1.074 517 M CA 1.306 56.627 55.300 0.036 0.000 1.114 517 M CB -0.761 31.952 32.600 0.188 0.000 1.306 517 M HN 0.008 nan 8.290 nan 0.000 0.411 518 L N 0.494 121.558 121.223 -0.264 0.000 2.034 518 L HA -0.223 4.120 4.340 0.004 0.000 0.217 518 L C 2.227 179.051 176.870 -0.076 0.000 1.077 518 L CA 1.967 56.669 54.840 -0.230 0.000 0.769 518 L CB -1.372 40.538 42.059 -0.248 0.000 0.890 518 L HN 0.413 nan 8.230 nan 0.000 0.435 519 L N -0.968 120.237 121.223 -0.030 0.000 2.610 519 L HA -0.005 4.338 4.340 0.004 0.000 0.232 519 L C 0.699 177.563 176.870 -0.009 0.000 1.149 519 L CA 0.030 54.873 54.840 0.004 0.000 0.872 519 L CB -0.039 42.044 42.059 0.039 0.000 0.992 519 L HN 0.362 nan 8.230 nan 0.000 0.447 520 R N -0.160 120.324 120.500 -0.027 0.000 3.774 520 R HA -0.135 4.208 4.340 0.004 0.000 0.320 520 R C -0.617 175.639 176.300 -0.073 0.000 1.175 520 R CA 0.567 56.636 56.100 -0.050 0.000 0.849 520 R CB -2.485 27.797 30.300 -0.030 0.000 1.365 520 R HN 0.301 nan 8.270 nan 0.000 0.502 521 L N 2.148 123.326 121.223 -0.075 0.000 2.280 521 L HA 0.450 4.792 4.340 0.004 0.000 0.287 521 L C -1.772 174.984 176.870 -0.191 0.000 1.023 521 L CA -2.047 52.700 54.840 -0.155 0.000 0.819 521 L CB 1.389 43.316 42.059 -0.219 0.000 1.212 521 L HN -0.258 nan 8.230 nan 0.000 0.420 522 P HA -0.012 nan 4.420 nan 0.000 0.271 522 P C 0.614 177.809 177.300 -0.174 0.000 1.218 522 P CA -0.228 62.803 63.100 -0.115 0.000 0.780 522 P CB 0.899 32.550 31.700 -0.081 0.000 0.901 523 F N 2.625 122.493 119.950 -0.138 0.000 2.126 523 F HA -0.247 4.282 4.527 0.004 0.000 0.299 523 F C 1.561 177.256 175.800 -0.174 0.000 1.096 523 F CA 2.448 60.376 58.000 -0.121 0.000 1.255 523 F CB -0.297 38.764 39.000 0.101 0.000 0.997 523 F HN 0.297 nan 8.300 nan 0.000 0.479 524 D N -0.946 119.520 120.400 0.109 0.000 2.349 524 D HA 0.039 4.682 4.640 0.004 0.000 0.215 524 D C 1.041 177.312 176.300 -0.049 0.000 1.016 524 D CA 0.570 54.606 54.000 0.060 0.000 0.870 524 D CB -1.124 39.732 40.800 0.093 0.000 0.917 524 D HN 0.221 nan 8.370 nan 0.000 0.524 525 S N -0.048 115.576 115.700 -0.127 0.000 2.576 525 S HA -0.006 4.467 4.470 0.004 0.000 0.272 525 S C 1.246 175.757 174.600 -0.147 0.000 1.352 525 S CA -0.379 57.741 58.200 -0.133 0.000 1.021 525 S CB 1.613 64.714 63.200 -0.166 0.000 0.887 525 S HN 0.005 nan 8.310 nan 0.000 0.542 526 E N 1.049 121.189 120.200 -0.101 0.000 2.153 526 E HA -0.121 4.232 4.350 0.004 0.000 0.194 526 E C 1.575 178.106 176.600 -0.115 0.000 0.988 526 E CA 1.726 58.075 56.400 -0.085 0.000 0.811 526 E CB -0.357 29.314 29.700 -0.049 0.000 0.746 526 E HN 0.813 nan 8.360 nan 0.000 0.466 527 E N 0.102 120.219 120.200 -0.138 0.000 2.047 527 E HA -0.056 4.297 4.350 0.004 0.000 0.191 527 E C 1.993 178.448 176.600 -0.243 0.000 0.987 527 E CA 1.413 57.723 56.400 -0.149 0.000 0.799 527 E CB -0.510 29.112 29.700 -0.129 0.000 0.752 527 E HN 0.364 nan 8.360 nan 0.000 0.449 528 A N 1.310 123.865 122.820 -0.443 0.000 1.883 528 A HA -0.285 4.038 4.320 0.004 0.000 0.217 528 A C 2.160 179.448 177.584 -0.494 0.000 1.186 528 A CA 2.011 53.505 52.037 -0.904 0.000 0.624 528 A CB -0.626 17.517 19.000 -1.428 0.000 0.822 528 A HN 0.168 nan 8.150 nan 0.000 0.444 529 R N -0.567 119.752 120.500 -0.301 0.000 2.103 529 R HA -0.144 4.198 4.340 0.004 0.000 0.242 529 R C 2.073 178.316 176.300 -0.095 0.000 1.142 529 R CA 1.899 57.917 56.100 -0.137 0.000 0.960 529 R CB -0.414 29.834 30.300 -0.087 0.000 0.858 529 R HN 0.544 nan 8.270 nan 0.000 0.439 530 L N 0.433 121.585 121.223 -0.118 0.000 2.072 530 L HA -0.159 4.184 4.340 0.004 0.000 0.205 530 L C 2.417 179.200 176.870 -0.144 0.000 1.079 530 L CA 0.540 55.294 54.840 -0.144 0.000 0.752 530 L CB -0.259 41.724 42.059 -0.127 0.000 0.906 530 L HN 0.271 nan 8.230 nan 0.000 0.436 531 L N 0.496 121.685 121.223 -0.056 0.000 1.970 531 L HA -0.300 4.042 4.340 0.004 0.000 0.212 531 L C 2.176 179.084 176.870 0.064 0.000 1.071 531 L CA 2.233 57.094 54.840 0.036 0.000 0.751 531 L CB -0.946 41.179 42.059 0.110 0.000 0.889 531 L HN 0.329 nan 8.230 nan 0.000 0.432 532 N N -0.265 118.536 118.700 0.169 0.000 2.073 532 N HA -0.297 4.446 4.740 0.004 0.000 0.199 532 N C 1.818 177.454 175.510 0.210 0.000 1.023 532 N CA 2.696 55.880 53.050 0.224 0.000 0.880 532 N CB -0.422 38.201 38.487 0.228 0.000 1.052 532 N HN 0.534 nan 8.380 nan 0.000 0.449 533 I N 0.261 120.868 120.570 0.063 0.000 2.226 533 I HA -0.303 3.869 4.170 0.004 0.000 0.245 533 I C 2.448 178.519 176.117 -0.077 0.000 1.100 533 I CA 1.442 62.765 61.300 0.038 0.000 1.374 533 I CB -0.465 37.501 38.000 -0.056 0.000 1.057 533 I HN 0.481 nan 8.210 nan 0.000 0.413 534 Q N 0.769 120.448 119.800 -0.202 0.000 2.245 534 Q HA -0.101 4.241 4.340 0.004 0.000 0.201 534 Q C 2.214 178.210 176.000 -0.006 0.000 0.955 534 Q CA 1.223 56.861 55.803 -0.275 0.000 0.870 534 Q CB -0.298 28.078 28.738 -0.604 0.000 0.945 534 Q HN 0.489 nan 8.270 nan 0.000 0.461 535 I N 0.469 121.092 120.570 0.088 0.000 2.142 535 I HA -0.246 3.927 4.170 0.004 0.000 0.240 535 I C 1.901 177.918 176.117 -0.167 0.000 1.078 535 I CA 1.460 62.766 61.300 0.011 0.000 1.343 535 I CB -0.237 37.649 38.000 -0.191 0.000 1.046 535 I HN 0.077 nan 8.210 nan 0.000 0.405 536 F N 0.708 120.629 119.950 -0.047 0.000 2.234 536 F HA -0.185 4.345 4.527 0.005 0.000 0.299 536 F C 2.565 178.274 175.800 -0.152 0.000 1.087 536 F CA 1.317 59.289 58.000 -0.048 0.000 1.340 536 F CB -0.415 38.589 39.000 0.007 0.000 1.031 536 F HN 0.113 nan 8.300 nan 0.000 0.500 537 E N -0.210 119.798 120.200 -0.320 0.000 2.077 537 E HA -0.240 4.113 4.350 0.004 0.000 0.193 537 E C 2.346 178.983 176.600 0.062 0.000 0.989 537 E CA 1.708 57.845 56.400 -0.439 0.000 0.800 537 E CB -0.162 29.314 29.700 -0.373 0.000 0.746 537 E HN 0.351 nan 8.360 nan 0.000 0.452 538 T N 0.011 114.591 114.554 0.044 0.000 2.812 538 T HA -0.085 4.267 4.350 0.004 0.000 0.264 538 T C 2.003 176.555 174.700 -0.247 0.000 1.042 538 T CA 1.194 63.214 62.100 -0.133 0.000 1.140 538 T CB -0.269 68.801 68.868 0.338 0.000 0.870 538 T HN 0.160 nan 8.240 nan 0.000 0.445 539 I N -0.146 120.337 120.570 -0.145 0.000 2.127 539 I HA -0.123 4.049 4.170 0.004 0.000 0.241 539 I C 2.382 178.482 176.117 -0.028 0.000 1.075 539 I CA 1.925 63.128 61.300 -0.161 0.000 1.334 539 I CB -0.670 37.221 38.000 -0.182 0.000 1.040 539 I HN 0.264 nan 8.210 nan 0.000 0.405 540 Y N 1.281 121.602 120.300 0.035 0.000 2.165 540 Y HA -0.334 4.218 4.550 0.005 0.000 0.286 540 Y C 2.837 178.841 175.900 0.173 0.000 1.155 540 Y CA 1.955 60.173 58.100 0.197 0.000 1.164 540 Y CB -0.839 37.888 38.460 0.444 0.000 0.978 540 Y HN 0.241 nan 8.280 nan 0.000 0.513 541 H N -0.109 118.879 119.070 -0.138 0.000 2.293 541 H HA -0.137 4.421 4.556 0.004 0.000 0.300 541 H C 2.170 177.127 175.328 -0.618 0.000 1.082 541 H CA 1.628 57.286 56.048 -0.651 0.000 1.308 541 H CB -0.359 28.777 29.762 -1.044 0.000 1.375 541 H HN 0.420 nan 8.280 nan 0.000 0.495 542 A N 0.787 123.142 122.820 -0.775 0.000 1.873 542 A HA -0.246 4.077 4.320 0.004 0.000 0.218 542 A C 2.865 180.126 177.584 -0.539 0.000 1.193 542 A CA 2.979 54.377 52.037 -1.066 0.000 0.629 542 A CB -1.132 17.154 19.000 -1.191 0.000 0.826 542 A HN 0.696 nan 8.150 nan 0.000 0.447 543 S N -0.902 114.589 115.700 -0.348 0.000 2.368 543 S HA -0.173 4.299 4.470 0.004 0.000 0.225 543 S C 1.933 176.431 174.600 -0.169 0.000 1.030 543 S CA 1.869 59.954 58.200 -0.191 0.000 0.999 543 S CB -0.472 62.693 63.200 -0.058 0.000 0.844 543 S HN 0.377 nan 8.310 nan 0.000 0.459 544 M N 1.495 120.957 119.600 -0.229 0.000 2.254 544 M HA 0.088 4.571 4.480 0.004 0.000 0.265 544 M C 2.374 178.542 176.300 -0.219 0.000 1.066 544 M CA 1.384 56.565 55.300 -0.198 0.000 1.123 544 M CB -1.284 31.151 32.600 -0.275 0.000 1.388 544 M HN 0.606 nan 8.290 nan 0.000 0.425 545 E N 0.452 120.447 120.200 -0.342 0.000 2.051 545 E HA -0.147 4.206 4.350 0.004 0.000 0.192 545 E C 2.003 178.499 176.600 -0.172 0.000 0.991 545 E CA 1.385 57.618 56.400 -0.278 0.000 0.799 545 E CB 0.122 29.626 29.700 -0.327 0.000 0.748 545 E HN 0.409 nan 8.360 nan 0.000 0.449 546 A N 0.441 123.153 122.820 -0.179 0.000 1.902 546 A HA -0.173 4.150 4.320 0.004 0.000 0.217 546 A C 2.333 179.864 177.584 -0.089 0.000 1.181 546 A CA 1.840 53.802 52.037 -0.124 0.000 0.623 546 A CB -0.817 18.102 19.000 -0.135 0.000 0.818 546 A HN 0.333 nan 8.150 nan 0.000 0.443 547 S N -1.440 114.210 115.700 -0.083 0.000 2.399 547 S HA -0.188 4.284 4.470 0.004 0.000 0.231 547 S C 2.024 176.597 174.600 -0.045 0.000 1.022 547 S CA 1.427 59.602 58.200 -0.041 0.000 0.983 547 S CB -0.860 62.334 63.200 -0.008 0.000 0.803 547 S HN 0.722 nan 8.310 nan 0.000 0.480 548 C N 1.548 120.810 119.300 -0.063 0.000 2.453 548 C HA 0.009 4.472 4.460 0.004 0.000 0.277 548 C C 2.415 177.354 174.990 -0.084 0.000 1.262 548 C CA 1.305 60.287 59.018 -0.061 0.000 1.718 548 C CB -1.561 26.153 27.740 -0.044 0.000 2.031 548 C HN 0.698 nan 8.230 nan 0.000 0.480 549 E N 0.387 120.533 120.200 -0.091 0.000 2.086 549 E HA -0.265 4.088 4.350 0.004 0.000 0.200 549 E C 2.033 178.581 176.600 -0.087 0.000 1.012 549 E CA 1.820 58.161 56.400 -0.099 0.000 0.812 549 E CB -0.331 29.321 29.700 -0.081 0.000 0.743 549 E HN 0.679 nan 8.360 nan 0.000 0.453 550 L N 0.304 121.489 121.223 -0.063 0.000 2.093 550 L HA -0.146 4.197 4.340 0.004 0.000 0.208 550 L C 2.561 179.402 176.870 -0.048 0.000 1.085 550 L CA 0.863 55.677 54.840 -0.043 0.000 0.755 550 L CB -0.450 41.596 42.059 -0.021 0.000 0.904 550 L HN 0.141 nan 8.230 nan 0.000 0.435 551 A N -0.489 122.293 122.820 -0.063 0.000 2.015 551 A HA -0.212 4.110 4.320 0.004 0.000 0.219 551 A C 2.236 179.766 177.584 -0.090 0.000 1.163 551 A CA 1.285 53.272 52.037 -0.084 0.000 0.646 551 A CB -0.343 18.576 19.000 -0.135 0.000 0.806 551 A HN 0.477 nan 8.150 nan 0.000 0.448 552 Q N -0.494 119.232 119.800 -0.123 0.000 2.167 552 Q HA -0.137 4.205 4.340 0.004 0.000 0.202 552 Q C 1.929 177.865 176.000 -0.107 0.000 0.970 552 Q CA 1.601 57.300 55.803 -0.173 0.000 0.855 552 Q CB -0.096 28.448 28.738 -0.322 0.000 0.911 552 Q HN 0.668 nan 8.270 nan 0.000 0.438 553 K N 0.083 120.435 120.400 -0.079 0.000 2.067 553 K HA -0.049 4.273 4.320 0.004 0.000 0.203 553 K C 0.968 177.548 176.600 -0.032 0.000 1.048 553 K CA 1.105 57.363 56.287 -0.049 0.000 0.954 553 K CB 0.349 32.826 32.500 -0.038 0.000 0.737 553 K HN 0.067 nan 8.250 nan 0.000 0.444 554 D N -0.591 119.791 120.400 -0.029 0.000 2.433 554 D HA 0.146 4.788 4.640 0.004 0.000 0.211 554 D C 0.260 176.551 176.300 -0.016 0.000 1.114 554 D CA 0.395 54.387 54.000 -0.014 0.000 0.837 554 D CB 1.122 41.921 40.800 -0.001 0.000 0.984 554 D HN 0.294 nan 8.370 nan 0.000 0.505 555 G N 2.244 111.024 108.800 -0.033 0.000 2.705 555 G HA2 -0.156 3.806 3.960 0.004 0.000 0.686 555 G HA3 -0.156 3.806 3.960 0.004 0.000 0.686 555 G C -2.975 171.884 174.900 -0.068 0.000 1.285 555 G CA -1.156 43.916 45.100 -0.045 0.000 0.800 555 G HN -0.102 nan 8.290 nan 0.000 0.611 556 P HA 0.419 nan 4.420 nan 0.000 0.273 556 P C 0.163 177.422 177.300 -0.068 0.000 1.250 556 P CA -0.401 62.563 63.100 -0.227 0.000 0.793 556 P CB 0.155 31.532 31.700 -0.538 0.000 1.011 557 Y N -1.585 118.722 120.300 0.013 0.000 2.457 557 Y HA 0.130 4.682 4.550 0.004 0.000 0.341 557 Y C 1.618 177.582 175.900 0.106 0.000 1.240 557 Y CA -0.194 57.947 58.100 0.067 0.000 1.437 557 Y CB -0.379 38.144 38.460 0.105 0.000 1.328 557 Y HN 0.452 nan 8.280 nan 0.000 0.588 558 E N 0.378 120.679 120.200 0.167 0.000 2.219 558 E HA -0.196 4.157 4.350 0.004 0.000 0.198 558 E C 0.994 177.625 176.600 0.052 0.000 0.998 558 E CA 1.758 58.202 56.400 0.072 0.000 0.818 558 E CB -0.006 29.730 29.700 0.059 0.000 0.741 558 E HN 0.800 nan 8.360 nan 0.000 0.477 559 T N -0.893 113.735 114.554 0.124 0.000 3.228 559 T HA 0.098 4.451 4.350 0.004 0.000 0.278 559 T C 0.603 175.262 174.700 -0.068 0.000 1.014 559 T CA -0.490 61.697 62.100 0.144 0.000 0.904 559 T CB -0.312 68.797 68.868 0.403 0.000 1.110 559 T HN 0.156 nan 8.240 nan 0.000 0.541 560 F N 2.035 121.547 119.950 -0.730 0.000 2.126 560 F HA 0.104 4.633 4.527 0.005 0.000 0.299 560 F C 1.134 176.772 175.800 -0.270 0.000 1.096 560 F CA 1.022 58.532 58.000 -0.816 0.000 1.255 560 F CB 0.105 38.622 39.000 -0.805 0.000 0.997 560 F HN 0.183 nan 8.300 nan 0.000 0.479 561 Q N 0.144 119.807 119.800 -0.228 0.000 2.296 561 Q HA 0.306 4.648 4.340 0.004 0.000 0.262 561 Q C 0.888 176.764 176.000 -0.206 0.000 0.981 561 Q CA 0.614 56.276 55.803 -0.235 0.000 0.905 561 Q CB 0.861 29.566 28.738 -0.056 0.000 1.186 561 Q HN 0.632 nan 8.270 nan 0.000 0.399 562 G N 1.791 110.452 108.800 -0.232 0.000 2.213 562 G HA2 -0.286 3.677 3.960 0.004 0.000 0.226 562 G HA3 -0.286 3.677 3.960 0.004 0.000 0.226 562 G C 0.241 175.035 174.900 -0.178 0.000 0.992 562 G CA 0.142 45.147 45.100 -0.158 0.000 0.632 562 G HN 0.711 nan 8.290 nan 0.000 0.511 563 S N 0.893 116.428 115.700 -0.274 0.000 2.592 563 S HA 0.626 5.098 4.470 0.004 0.000 0.271 563 S C -0.703 173.779 174.600 -0.196 0.000 1.326 563 S CA -0.424 57.654 58.200 -0.204 0.000 1.024 563 S CB 2.317 65.410 63.200 -0.178 0.000 0.921 563 S HN -0.002 nan 8.310 nan 0.000 0.527 564 P HA -0.184 nan 4.420 nan 0.000 0.215 564 P C 1.674 178.928 177.300 -0.076 0.000 1.163 564 P CA 2.332 65.387 63.100 -0.076 0.000 0.894 564 P CB -0.304 31.371 31.700 -0.042 0.000 0.791 565 A N 0.066 122.861 122.820 -0.043 0.000 1.908 565 A HA -0.239 4.084 4.320 0.004 0.000 0.218 565 A C 2.405 179.973 177.584 -0.028 0.000 1.181 565 A CA 2.622 54.682 52.037 0.039 0.000 0.627 565 A CB -1.779 17.349 19.000 0.214 0.000 0.818 565 A HN 0.368 nan 8.150 nan 0.000 0.445 566 S N -1.094 114.358 115.700 -0.414 0.000 2.440 566 S HA -0.158 4.315 4.470 0.004 0.000 0.238 566 S C 1.427 175.930 174.600 -0.161 0.000 1.010 566 S CA 1.401 59.280 58.200 -0.535 0.000 0.972 566 S CB -0.249 62.325 63.200 -1.043 0.000 0.774 566 S HN 0.564 nan 8.310 nan 0.000 0.501 567 Q N 0.370 120.098 119.800 -0.121 0.000 2.247 567 Q HA 0.323 4.665 4.340 0.004 0.000 0.204 567 Q C 1.330 177.321 176.000 -0.015 0.000 0.872 567 Q CA 0.576 56.343 55.803 -0.061 0.000 0.951 567 Q CB 0.220 28.917 28.738 -0.068 0.000 1.099 567 Q HN 0.779 nan 8.270 nan 0.000 0.501 568 G N 1.474 110.280 108.800 0.010 0.000 2.136 568 G HA2 -0.258 3.705 3.960 0.004 0.000 0.242 568 G HA3 -0.258 3.705 3.960 0.004 0.000 0.242 568 G C 0.094 174.999 174.900 0.009 0.000 0.989 568 G CA -0.077 45.047 45.100 0.039 0.000 0.682 568 G HN 0.345 nan 8.290 nan 0.000 0.522 569 I N 1.370 121.927 120.570 -0.022 0.000 2.307 569 I HA 0.469 4.642 4.170 0.004 0.000 0.289 569 I C 0.799 176.864 176.117 -0.087 0.000 1.021 569 I CA -0.673 60.589 61.300 -0.063 0.000 1.224 569 I CB 0.878 38.846 38.000 -0.054 0.000 1.376 569 I HN -0.012 nan 8.210 nan 0.000 0.470 570 L N 4.728 125.819 121.223 -0.220 0.000 2.335 570 L HA 0.342 4.684 4.340 0.004 0.000 0.268 570 L C 1.261 177.920 176.870 -0.351 0.000 1.016 570 L CA -0.650 54.026 54.840 -0.274 0.000 0.805 570 L CB 1.014 42.760 42.059 -0.522 0.000 1.311 570 L HN 0.458 nan 8.230 nan 0.000 0.456 571 Q N 1.074 120.766 119.800 -0.182 0.000 2.014 571 Q HA -0.241 4.102 4.340 0.004 0.000 0.207 571 Q C 1.749 177.689 176.000 -0.099 0.000 0.993 571 Q CA 2.603 58.333 55.803 -0.123 0.000 0.850 571 Q CB -0.443 28.158 28.738 -0.229 0.000 0.916 571 Q HN 0.581 nan 8.270 nan 0.000 0.417 572 F N -0.468 119.427 119.950 -0.092 0.000 2.202 572 F HA -0.106 4.424 4.527 0.004 0.000 0.301 572 F C 1.533 177.324 175.800 -0.015 0.000 1.082 572 F CA 1.236 59.119 58.000 -0.195 0.000 1.313 572 F CB -0.750 37.999 39.000 -0.417 0.000 1.024 572 F HN 0.045 nan 8.300 nan 0.000 0.495 573 D N 1.291 121.577 120.400 -0.190 0.000 2.144 573 D HA -0.160 4.483 4.640 0.004 0.000 0.199 573 D C 2.181 178.493 176.300 0.019 0.000 0.984 573 D CA 1.751 55.730 54.000 -0.035 0.000 0.834 573 D CB -0.324 40.390 40.800 -0.144 0.000 0.955 573 D HN 0.453 nan 8.370 nan 0.000 0.465 574 M N -1.092 118.519 119.600 0.019 0.000 2.476 574 M HA -0.069 4.414 4.480 0.004 0.000 0.262 574 M C 1.146 177.402 176.300 -0.074 0.000 1.079 574 M CA 0.733 56.014 55.300 -0.031 0.000 1.104 574 M CB -0.117 32.442 32.600 -0.069 0.000 1.409 574 M HN 0.052 nan 8.290 nan 0.000 0.467 575 W N 0.744 121.982 121.300 -0.104 0.000 3.345 575 W HA 0.092 4.755 4.660 0.005 0.000 0.282 575 W C 0.042 176.517 176.519 -0.074 0.000 1.302 575 W CA -0.265 57.020 57.345 -0.100 0.000 1.724 575 W CB -0.345 29.043 29.460 -0.120 0.000 1.104 575 W HN 0.242 nan 8.180 nan 0.000 0.694 576 D N 0.898 121.369 120.400 0.118 0.000 2.708 576 D HA -0.204 4.438 4.640 0.004 0.000 0.236 576 D C -0.090 176.264 176.300 0.091 0.000 1.146 576 D CA 1.024 55.068 54.000 0.073 0.000 0.662 576 D CB -1.229 39.585 40.800 0.023 0.000 1.059 576 D HN 0.349 nan 8.370 nan 0.000 0.428 577 Q N -0.408 119.472 119.800 0.132 0.000 2.387 577 Q HA 0.423 4.766 4.340 0.004 0.000 0.273 577 Q C 0.060 176.118 176.000 0.097 0.000 1.089 577 Q CA -0.808 55.046 55.803 0.085 0.000 0.824 577 Q CB 2.373 31.130 28.738 0.032 0.000 1.367 577 Q HN -0.049 nan 8.270 nan 0.000 0.443 578 K N 2.411 122.818 120.400 0.012 0.000 2.270 578 K HA 0.296 4.619 4.320 0.004 0.000 0.276 578 K C -2.146 174.322 176.600 -0.221 0.000 1.023 578 K CA -1.431 54.819 56.287 -0.060 0.000 0.955 578 K CB 0.394 32.870 32.500 -0.040 0.000 0.975 578 K HN 0.373 nan 8.250 nan 0.000 0.471 579 P HA -0.061 nan 4.420 nan 0.000 0.274 579 P C 0.144 177.398 177.300 -0.077 0.000 1.246 579 P CA -0.152 62.619 63.100 -0.549 0.000 0.795 579 P CB 0.459 31.396 31.700 -1.272 0.000 1.006 580 Y N 1.602 121.921 120.300 0.031 0.000 2.165 580 Y HA -0.113 4.439 4.550 0.004 0.000 0.286 580 Y C 1.754 177.659 175.900 0.008 0.000 1.155 580 Y CA 2.654 60.771 58.100 0.027 0.000 1.164 580 Y CB -0.625 37.857 38.460 0.036 0.000 0.978 580 Y HN 0.679 nan 8.280 nan 0.000 0.513 581 G N -0.086 108.757 108.800 0.072 0.000 2.144 581 G HA2 -0.353 3.610 3.960 0.004 0.000 0.218 581 G HA3 -0.353 3.610 3.960 0.004 0.000 0.218 581 G C 0.952 175.780 174.900 -0.119 0.000 0.988 581 G CA 0.350 45.446 45.100 -0.007 0.000 0.659 581 G HN 0.516 nan 8.290 nan 0.000 0.522 582 M N -1.104 118.494 119.600 -0.003 0.000 2.346 582 M HA 0.164 4.646 4.480 0.004 0.000 0.263 582 M C 0.567 176.422 176.300 -0.743 0.000 1.064 582 M CA 1.422 56.537 55.300 -0.309 0.000 1.083 582 M CB -0.062 32.368 32.600 -0.284 0.000 1.399 582 M HN 0.364 nan 8.290 nan 0.000 0.435 583 W N -0.701 120.423 121.300 -0.293 0.000 2.882 583 W HA 0.301 4.964 4.660 0.004 0.000 0.345 583 W C -0.592 175.628 176.519 -0.499 0.000 1.125 583 W CA -0.889 56.070 57.345 -0.643 0.000 1.167 583 W CB 0.459 29.072 29.460 -1.411 0.000 1.431 583 W HN -0.192 nan 8.180 nan 0.000 0.543 584 D N 1.079 121.381 120.400 -0.163 0.000 2.435 584 D HA 0.037 4.680 4.640 0.004 0.000 0.230 584 D C 0.191 176.571 176.300 0.133 0.000 1.215 584 D CA -0.048 53.963 54.000 0.019 0.000 0.947 584 D CB 0.192 41.019 40.800 0.045 0.000 1.048 584 D HN 0.406 nan 8.370 nan 0.000 0.512 585 W N 1.862 123.316 121.300 0.256 0.000 2.519 585 W HA -0.037 4.626 4.660 0.005 0.000 0.266 585 W C 1.767 178.431 176.519 0.242 0.000 1.253 585 W CA -0.122 57.420 57.345 0.328 0.000 1.274 585 W CB 0.362 30.042 29.460 0.366 0.000 1.114 585 W HN 0.313 nan 8.180 nan 0.000 0.596 586 D N -0.667 119.953 120.400 0.366 0.000 2.123 586 D HA -0.120 4.523 4.640 0.004 0.000 0.200 586 D C 2.031 178.444 176.300 0.188 0.000 0.976 586 D CA 1.803 55.954 54.000 0.252 0.000 0.831 586 D CB -0.901 40.006 40.800 0.179 0.000 0.974 586 D HN 0.059 nan 8.370 nan 0.000 0.469 587 T N 1.762 116.412 114.554 0.160 0.000 2.708 587 T HA -0.142 4.211 4.350 0.004 0.000 0.266 587 T C 1.948 176.718 174.700 0.117 0.000 1.037 587 T CA 0.501 62.672 62.100 0.118 0.000 1.146 587 T CB -0.373 68.554 68.868 0.098 0.000 0.865 587 T HN 0.009 nan 8.240 nan 0.000 0.435 588 L N 1.416 122.717 121.223 0.130 0.000 2.012 588 L HA -0.041 4.302 4.340 0.004 0.000 0.210 588 L C 2.537 179.485 176.870 0.130 0.000 1.073 588 L CA 1.789 56.673 54.840 0.072 0.000 0.748 588 L CB -0.658 41.381 42.059 -0.034 0.000 0.891 588 L HN 0.091 nan 8.230 nan 0.000 0.431 589 R N -0.440 120.185 120.500 0.208 0.000 2.081 589 R HA -0.232 4.110 4.340 0.004 0.000 0.235 589 R C 2.462 178.840 176.300 0.131 0.000 1.131 589 R CA 1.942 58.155 56.100 0.188 0.000 0.960 589 R CB -0.250 30.182 30.300 0.219 0.000 0.856 589 R HN 0.442 nan 8.270 nan 0.000 0.436 590 K N 0.220 120.689 120.400 0.115 0.000 2.032 590 K HA -0.183 4.139 4.320 0.004 0.000 0.209 590 K C 1.331 177.965 176.600 0.057 0.000 1.048 590 K CA 2.144 58.476 56.287 0.076 0.000 0.927 590 K CB -0.089 32.452 32.500 0.068 0.000 0.712 590 K HN 0.127 nan 8.250 nan 0.000 0.441 591 D N 0.811 121.262 120.400 0.085 0.000 2.097 591 D HA -0.145 4.497 4.640 0.004 0.000 0.195 591 D C 1.992 178.361 176.300 0.115 0.000 0.989 591 D CA 1.294 55.369 54.000 0.125 0.000 0.827 591 D CB -0.157 40.725 40.800 0.136 0.000 0.966 591 D HN 0.320 nan 8.370 nan 0.000 0.456 592 I N 0.469 121.102 120.570 0.105 0.000 2.179 592 I HA -0.247 3.926 4.170 0.004 0.000 0.242 592 I C 2.455 178.675 176.117 0.172 0.000 1.088 592 I CA 0.871 62.245 61.300 0.124 0.000 1.357 592 I CB -0.211 37.888 38.000 0.164 0.000 1.051 592 I HN -0.044 nan 8.210 nan 0.000 0.409 593 M N 0.069 119.759 119.600 0.150 0.000 2.213 593 M HA -0.207 4.275 4.480 0.004 0.000 0.263 593 M C 2.243 178.586 176.300 0.071 0.000 1.062 593 M CA 1.548 56.938 55.300 0.149 0.000 1.105 593 M CB -0.334 32.318 32.600 0.086 0.000 1.385 593 M HN 0.052 nan 8.290 nan 0.000 0.417 594 K N -0.052 120.315 120.400 -0.055 0.000 2.067 594 K HA -0.047 4.276 4.320 0.004 0.000 0.203 594 K C 1.271 177.682 176.600 -0.315 0.000 1.048 594 K CA 1.644 57.782 56.287 -0.249 0.000 0.954 594 K CB -0.046 32.185 32.500 -0.449 0.000 0.737 594 K HN 0.408 nan 8.250 nan 0.000 0.444 595 H N -1.511 117.534 119.070 -0.042 0.000 2.729 595 H HA 0.382 4.941 4.556 0.004 0.000 0.263 595 H C 0.479 175.638 175.328 -0.280 0.000 0.961 595 H CA 0.106 56.085 56.048 -0.114 0.000 1.217 595 H CB 1.080 30.788 29.762 -0.090 0.000 1.447 595 H HN 0.398 nan 8.280 nan 0.000 0.496 596 G N 0.531 109.136 108.800 -0.325 0.000 2.631 596 G HA2 -0.067 3.896 3.960 0.004 0.000 0.504 596 G HA3 -0.067 3.896 3.960 0.004 0.000 0.504 596 G C -0.748 173.834 174.900 -0.530 0.000 1.306 596 G CA -0.504 43.951 45.100 -1.075 0.000 0.897 596 G HN 0.677 nan 8.290 nan 0.000 0.520 597 V N -3.432 116.164 119.914 -0.531 0.000 3.040 597 V HA 0.914 5.037 4.120 0.004 0.000 0.312 597 V C 1.116 177.249 176.094 0.065 0.000 1.115 597 V CA -0.098 62.159 62.300 -0.071 0.000 0.998 597 V CB 1.884 33.780 31.823 0.121 0.000 1.042 597 V HN 1.299 nan 8.190 nan 0.000 0.433 598 R N 1.400 121.956 120.500 0.093 0.000 2.276 598 R HA 0.307 4.650 4.340 0.004 0.000 0.196 598 R C 0.055 176.474 176.300 0.197 0.000 0.961 598 R CA 0.839 57.020 56.100 0.135 0.000 1.024 598 R CB -0.471 29.858 30.300 0.048 0.000 0.940 598 R HN 0.938 nan 8.270 nan 0.000 0.480 599 N N -1.340 117.443 118.700 0.139 0.000 2.295 599 N HA 0.098 4.841 4.740 0.004 0.000 0.293 599 N C -0.051 175.294 175.510 -0.275 0.000 1.040 599 N CA -0.106 52.900 53.050 -0.074 0.000 0.840 599 N CB 2.216 40.691 38.487 -0.019 0.000 1.468 599 N HN -0.031 nan 8.380 nan 0.000 0.478 600 S N 1.463 116.729 115.700 -0.723 0.000 2.402 600 S HA 0.043 4.515 4.470 0.004 0.000 0.229 600 S C 0.422 174.936 174.600 -0.142 0.000 1.021 600 S CA 0.671 58.470 58.200 -0.668 0.000 0.974 600 S CB -0.205 62.594 63.200 -0.668 0.000 0.800 600 S HN 0.446 nan 8.310 nan 0.000 0.484 601 L N 0.070 121.242 121.223 -0.086 0.000 2.465 601 L HA 0.477 4.820 4.340 0.004 0.000 0.257 601 L C 0.456 177.348 176.870 0.037 0.000 0.988 601 L CA -0.182 54.666 54.840 0.014 0.000 0.827 601 L CB 2.441 44.496 42.059 -0.006 0.000 1.397 601 L HN 0.187 nan 8.230 nan 0.000 0.410 602 T N -3.344 111.268 114.554 0.096 0.000 2.992 602 T HA 0.374 4.727 4.350 0.004 0.000 0.255 602 T C 0.268 175.022 174.700 0.091 0.000 0.938 602 T CA -0.155 62.001 62.100 0.094 0.000 0.895 602 T CB 0.513 69.469 68.868 0.146 0.000 1.221 602 T HN 0.220 nan 8.240 nan 0.000 0.512 603 M N 1.885 121.542 119.600 0.095 0.000 2.243 603 M HA 0.763 5.245 4.480 0.004 0.000 0.324 603 M C -0.991 175.347 176.300 0.063 0.000 1.031 603 M CA -0.665 54.686 55.300 0.086 0.000 0.949 603 M CB 1.411 34.057 32.600 0.078 0.000 1.615 603 M HN 0.293 nan 8.290 nan 0.000 0.430 604 A N 4.441 127.311 122.820 0.083 0.000 3.399 604 A HA 0.577 4.900 4.320 0.004 0.000 0.262 604 A C -2.750 174.920 177.584 0.143 0.000 1.145 604 A CA -0.986 51.105 52.037 0.091 0.000 0.916 604 A CB 0.110 19.143 19.000 0.056 0.000 1.360 604 A HN 0.450 nan 8.150 nan 0.000 0.628 605 P HA 0.146 nan 4.420 nan 0.000 0.261 605 P C 0.214 177.739 177.300 0.375 0.000 1.183 605 P CA 0.670 63.972 63.100 0.337 0.000 0.761 605 P CB 0.368 32.331 31.700 0.439 0.000 0.785 606 M N 4.640 124.388 119.600 0.246 0.000 2.762 606 M HA 0.520 5.003 4.480 0.004 0.000 0.306 606 M C -2.264 174.076 176.300 0.066 0.000 1.223 606 M CA -2.787 52.590 55.300 0.128 0.000 0.896 606 M CB 0.267 32.907 32.600 0.066 0.000 1.684 606 M HN -0.077 nan 8.290 nan 0.000 0.491 607 P HA -0.092 nan 4.420 nan 0.000 0.219 607 P C 0.290 177.589 177.300 -0.002 0.000 1.146 607 P CA 2.756 65.857 63.100 0.002 0.000 0.808 607 P CB -0.415 31.341 31.700 0.095 0.000 0.779 608 T N -4.307 110.262 114.554 0.025 0.000 3.852 608 T HA -0.291 4.062 4.350 0.004 0.000 0.361 608 T C 1.001 175.724 174.700 0.037 0.000 0.759 608 T CA 0.547 62.666 62.100 0.032 0.000 1.899 608 T CB -2.305 66.584 68.868 0.034 0.000 1.822 608 T HN 0.314 nan 8.240 nan 0.000 0.778 609 A N 0.188 123.040 122.820 0.052 0.000 2.015 609 A HA 0.186 4.508 4.320 0.004 0.000 0.219 609 A C 2.564 180.185 177.584 0.061 0.000 1.163 609 A CA 1.845 53.917 52.037 0.059 0.000 0.646 609 A CB -0.376 18.672 19.000 0.081 0.000 0.806 609 A HN 0.783 nan 8.150 nan 0.000 0.448 610 S N -1.322 114.419 115.700 0.068 0.000 2.591 610 S HA -0.038 4.435 4.470 0.004 0.000 0.235 610 S C 2.084 176.680 174.600 -0.007 0.000 1.074 610 S CA 1.002 59.247 58.200 0.074 0.000 0.925 610 S CB -0.241 63.060 63.200 0.169 0.000 0.818 610 S HN 0.813 nan 8.310 nan 0.000 0.535 611 T N 1.603 116.144 114.554 -0.020 0.000 2.995 611 T HA -0.053 4.300 4.350 0.004 0.000 0.269 611 T C 1.960 176.641 174.700 -0.033 0.000 1.091 611 T CA 1.350 63.406 62.100 -0.073 0.000 1.128 611 T CB -0.480 68.362 68.868 -0.043 0.000 0.891 611 T HN 0.415 nan 8.240 nan 0.000 0.492 612 S N 1.208 116.918 115.700 0.017 0.000 2.414 612 S HA -0.121 4.352 4.470 0.004 0.000 0.227 612 S C 2.217 176.834 174.600 0.029 0.000 1.022 612 S CA 0.724 58.961 58.200 0.060 0.000 0.958 612 S CB -0.549 62.702 63.200 0.084 0.000 0.797 612 S HN 0.609 nan 8.310 nan 0.000 0.493 613 Q N 1.145 120.960 119.800 0.024 0.000 2.061 613 Q HA -0.082 4.261 4.340 0.004 0.000 0.204 613 Q C 2.088 177.967 176.000 -0.202 0.000 0.984 613 Q CA 1.890 57.726 55.803 0.054 0.000 0.846 613 Q CB -0.404 28.398 28.738 0.106 0.000 0.902 613 Q HN 0.688 nan 8.270 nan 0.000 0.421 614 I N 0.525 120.965 120.570 -0.216 0.000 2.163 614 I HA -0.310 3.862 4.170 0.004 0.000 0.243 614 I C 2.032 178.038 176.117 -0.185 0.000 1.085 614 I CA 1.108 62.232 61.300 -0.294 0.000 1.347 614 I CB -0.206 37.572 38.000 -0.370 0.000 1.044 614 I HN 0.311 nan 8.210 nan 0.000 0.408 615 L N 0.366 121.509 121.223 -0.135 0.000 2.478 615 L HA 0.105 4.448 4.340 0.004 0.000 0.223 615 L C 1.345 177.923 176.870 -0.487 0.000 1.140 615 L CA 0.630 55.374 54.840 -0.160 0.000 0.842 615 L CB -0.738 41.323 42.059 0.003 0.000 0.953 615 L HN 0.567 nan 8.230 nan 0.000 0.452 616 G N -0.214 108.323 108.800 -0.438 0.000 2.212 616 G HA2 -0.294 3.669 3.960 0.004 0.000 0.255 616 G HA3 -0.294 3.669 3.960 0.004 0.000 0.255 616 G C -0.306 174.312 174.900 -0.471 0.000 1.062 616 G CA -0.174 44.634 45.100 -0.486 0.000 0.815 616 G HN 0.364 nan 8.290 nan 0.000 0.497 617 Y N -0.873 119.450 120.300 0.039 0.000 2.633 617 Y HA 0.522 5.074 4.550 0.004 0.000 0.339 617 Y C 0.672 176.620 175.900 0.080 0.000 1.045 617 Y CA -1.259 56.887 58.100 0.077 0.000 1.098 617 Y CB 1.125 39.620 38.460 0.057 0.000 1.296 617 Y HN 0.107 nan 8.280 nan 0.000 0.494 618 N N 2.395 121.272 118.700 0.295 0.000 2.513 618 N HA -0.021 4.722 4.740 0.004 0.000 0.268 618 N C -0.730 174.852 175.510 0.121 0.000 1.180 618 N CA -0.335 52.821 53.050 0.176 0.000 0.948 618 N CB 0.736 39.340 38.487 0.195 0.000 1.083 618 N HN 0.656 nan 8.380 nan 0.000 0.455 619 E N 2.525 122.760 120.200 0.058 0.000 2.481 619 E HA -0.072 4.281 4.350 0.004 0.000 0.263 619 E C 1.599 178.166 176.600 -0.055 0.000 0.992 619 E CA -0.131 56.274 56.400 0.008 0.000 0.938 619 E CB -0.156 29.537 29.700 -0.012 0.000 0.933 619 E HN 0.849 nan 8.360 nan 0.000 0.453 620 C N 2.412 121.660 119.300 -0.087 0.000 1.350 620 C HA -0.331 4.132 4.460 0.004 0.000 0.105 620 C C 1.503 176.458 174.990 -0.058 0.000 0.627 620 C CA 1.478 60.396 59.018 -0.168 0.000 1.058 620 C CB -2.089 25.295 27.740 -0.592 0.000 2.903 620 C HN 1.004 nan 8.230 nan 0.000 0.992 621 F N 2.975 123.053 119.950 0.214 0.000 2.698 621 F HA 0.509 5.039 4.527 0.004 0.000 0.304 621 F C 0.494 176.492 175.800 0.331 0.000 1.108 621 F CA -0.169 57.988 58.000 0.262 0.000 1.263 621 F CB -0.981 38.190 39.000 0.286 0.000 1.013 621 F HN 0.828 nan 8.300 nan 0.000 0.532 622 E N 1.410 121.701 120.200 0.153 0.000 2.283 622 E HA 0.469 4.822 4.350 0.004 0.000 0.271 622 E C -2.863 173.750 176.600 0.022 0.000 1.031 622 E CA -2.305 54.170 56.400 0.125 0.000 0.868 622 E CB 0.736 30.455 29.700 0.032 0.000 1.094 622 E HN -0.023 nan 8.360 nan 0.000 0.401 623 P HA -0.045 nan 4.420 nan 0.000 0.272 623 P C -0.240 176.933 177.300 -0.212 0.000 1.240 623 P CA -0.476 62.375 63.100 -0.415 0.000 0.791 623 P CB 0.409 31.595 31.700 -0.857 0.000 0.978 624 V N -1.026 118.859 119.914 -0.048 0.000 2.872 624 V HA 0.109 4.231 4.120 0.004 0.000 0.307 624 V C 1.280 177.287 176.094 -0.146 0.000 1.072 624 V CA 0.834 63.136 62.300 0.004 0.000 1.148 624 V CB -0.170 31.723 31.823 0.118 0.000 0.954 624 V HN 0.779 nan 8.190 nan 0.000 0.490 625 T N -0.253 114.247 114.554 -0.090 0.000 3.067 625 T HA 0.222 4.574 4.350 0.004 0.000 0.257 625 T C 0.776 175.491 174.700 0.026 0.000 1.105 625 T CA 0.638 62.650 62.100 -0.146 0.000 1.104 625 T CB -0.045 68.828 68.868 0.008 0.000 0.925 625 T HN 1.354 nan 8.240 nan 0.000 0.498 626 S N 0.001 115.631 115.700 -0.116 0.000 2.570 626 S HA 0.290 4.763 4.470 0.004 0.000 0.286 626 S C -0.534 173.803 174.600 -0.439 0.000 1.143 626 S CA -0.824 57.214 58.200 -0.271 0.000 0.921 626 S CB 0.766 63.725 63.200 -0.401 0.000 1.108 626 S HN 0.172 nan 8.310 nan 0.000 0.456 627 N N 3.214 121.774 118.700 -0.233 0.000 2.521 627 N HA 0.096 4.839 4.740 0.004 0.000 0.188 627 N C -0.207 175.145 175.510 -0.263 0.000 1.146 627 N CA 0.573 53.502 53.050 -0.202 0.000 0.893 627 N CB 0.041 38.467 38.487 -0.101 0.000 0.975 627 N HN 0.597 nan 8.380 nan 0.000 0.451 628 M N 0.693 120.063 119.600 -0.384 0.000 2.215 628 M HA 0.182 4.665 4.480 0.004 0.000 0.251 628 M C -1.904 174.206 176.300 -0.317 0.000 0.987 628 M CA -0.359 54.781 55.300 -0.266 0.000 1.025 628 M CB 1.208 33.747 32.600 -0.103 0.000 2.064 628 M HN -0.110 nan 8.290 nan 0.000 0.473 629 Y N 1.806 122.096 120.300 -0.017 0.000 2.323 629 Y HA 0.536 5.088 4.550 0.004 0.000 0.331 629 Y C 1.235 177.129 175.900 -0.010 0.000 1.092 629 Y CA 0.150 58.230 58.100 -0.033 0.000 1.150 629 Y CB 1.517 39.916 38.460 -0.101 0.000 1.200 629 Y HN 0.844 nan 8.280 nan 0.000 0.472 639 Q N 4.222 124.126 119.800 0.173 0.000 2.256 639 Q HA 0.714 5.057 4.340 0.004 0.000 0.254 639 Q C -1.850 174.249 176.000 0.165 0.000 0.916 639 Q CA -0.339 55.547 55.803 0.139 0.000 0.932 639 Q CB 1.973 30.763 28.738 0.087 0.000 1.207 639 Q HN 0.547 nan 8.270 nan 0.000 0.426 640 V N 4.676 124.680 119.914 0.151 0.000 2.524 640 V HA 0.320 4.442 4.120 0.004 0.000 0.297 640 V C -0.471 175.670 176.094 0.078 0.000 1.035 640 V CA -0.924 61.468 62.300 0.153 0.000 0.867 640 V CB 1.596 33.561 31.823 0.237 0.000 1.004 640 V HN 0.663 nan 8.190 nan 0.000 0.426 641 V N 4.892 124.813 119.914 0.011 0.000 2.472 641 V HA 0.514 4.637 4.120 0.004 0.000 0.290 641 V C 0.565 176.577 176.094 -0.137 0.000 1.037 641 V CA -0.565 61.682 62.300 -0.087 0.000 0.908 641 V CB 1.657 33.387 31.823 -0.155 0.000 0.985 641 V HN 0.966 nan 8.190 nan 0.000 0.454 642 N N 7.457 126.057 118.700 -0.168 0.000 2.068 642 N HA -0.044 4.699 4.740 0.004 0.000 0.290 642 N C -1.754 173.562 175.510 -0.323 0.000 1.372 642 N CA -0.277 52.638 53.050 -0.225 0.000 0.863 642 N CB 1.064 39.419 38.487 -0.220 0.000 1.174 642 N HN 0.541 nan 8.380 nan 0.000 0.494 643 P HA -0.100 nan 4.420 nan 0.000 0.220 643 P C 0.502 177.658 177.300 -0.241 0.000 1.148 643 P CA 1.331 64.231 63.100 -0.334 0.000 0.803 643 P CB -0.021 31.470 31.700 -0.349 0.000 0.782 644 Y N -1.395 118.887 120.300 -0.030 0.000 2.337 644 Y HA -0.032 4.521 4.550 0.004 0.000 0.293 644 Y C 2.273 178.105 175.900 -0.115 0.000 1.123 644 Y CA -0.273 57.844 58.100 0.029 0.000 1.201 644 Y CB -0.870 37.712 38.460 0.203 0.000 1.011 644 Y HN -0.104 nan 8.280 nan 0.000 0.545 645 L N 0.172 121.168 121.223 -0.378 0.000 2.044 645 L HA -0.118 4.225 4.340 0.004 0.000 0.205 645 L C 2.184 178.833 176.870 -0.369 0.000 1.075 645 L CA 1.279 55.681 54.840 -0.731 0.000 0.747 645 L CB -0.841 40.651 42.059 -0.944 0.000 0.903 645 L HN 0.221 nan 8.230 nan 0.000 0.435 646 L N 0.122 121.109 121.223 -0.394 0.000 1.990 646 L HA -0.265 4.077 4.340 0.004 0.000 0.213 646 L C 2.800 179.477 176.870 -0.322 0.000 1.072 646 L CA 2.324 56.859 54.840 -0.509 0.000 0.755 646 L CB -0.695 41.041 42.059 -0.538 0.000 0.889 646 L HN 0.441 nan 8.230 nan 0.000 0.432 647 R N 0.039 120.440 120.500 -0.165 0.000 2.112 647 R HA -0.229 4.114 4.340 0.004 0.000 0.242 647 R C 1.888 178.182 176.300 -0.009 0.000 1.137 647 R CA 2.379 58.449 56.100 -0.050 0.000 0.944 647 R CB -0.977 29.347 30.300 0.041 0.000 0.857 647 R HN 0.478 nan 8.270 nan 0.000 0.435 648 D N 0.007 120.421 120.400 0.022 0.000 2.123 648 D HA -0.139 4.503 4.640 0.004 0.000 0.196 648 D C 1.962 178.301 176.300 0.066 0.000 0.992 648 D CA 1.586 55.635 54.000 0.080 0.000 0.833 648 D CB -0.211 40.692 40.800 0.171 0.000 0.954 648 D HN 0.277 nan 8.370 nan 0.000 0.455 649 L N 0.200 121.440 121.223 0.028 0.000 1.994 649 L HA -0.148 4.194 4.340 0.004 0.000 0.208 649 L C 2.533 179.498 176.870 0.158 0.000 1.071 649 L CA 0.757 55.664 54.840 0.111 0.000 0.745 649 L CB -0.654 41.503 42.059 0.163 0.000 0.892 649 L HN -0.029 nan 8.230 nan 0.000 0.431 650 V N 0.010 119.993 119.914 0.115 0.000 2.324 650 V HA -0.318 3.804 4.120 0.004 0.000 0.250 650 V C 2.045 178.198 176.094 0.099 0.000 1.060 650 V CA 2.056 64.442 62.300 0.142 0.000 1.042 650 V CB -0.644 31.225 31.823 0.078 0.000 0.650 650 V HN 0.427 nan 8.190 nan 0.000 0.450 651 D N -0.153 120.289 120.400 0.070 0.000 2.218 651 D HA -0.089 4.554 4.640 0.004 0.000 0.204 651 D C 1.779 178.119 176.300 0.067 0.000 0.976 651 D CA 1.075 55.113 54.000 0.063 0.000 0.853 651 D CB -0.139 40.696 40.800 0.058 0.000 0.939 651 D HN 0.373 nan 8.370 nan 0.000 0.481 652 L N -0.846 120.424 121.223 0.080 0.000 2.592 652 L HA 0.226 4.568 4.340 0.004 0.000 0.227 652 L C 1.186 178.100 176.870 0.074 0.000 1.127 652 L CA 0.084 54.968 54.840 0.074 0.000 0.884 652 L CB 0.100 42.207 42.059 0.081 0.000 1.065 652 L HN 0.073 nan 8.230 nan 0.000 0.457 653 G N 1.561 110.413 108.800 0.087 0.000 2.273 653 G HA2 -0.293 3.669 3.960 0.004 0.000 0.280 653 G HA3 -0.293 3.669 3.960 0.004 0.000 0.280 653 G C 0.716 175.665 174.900 0.082 0.000 1.047 653 G CA 0.760 45.908 45.100 0.082 0.000 0.869 653 G HN 0.618 nan 8.290 nan 0.000 0.502 654 I N -5.071 115.570 120.570 0.118 0.000 4.327 654 I HA 0.367 4.540 4.170 0.004 0.000 0.331 654 I C 1.004 177.211 176.117 0.151 0.000 1.348 654 I CA -0.824 60.538 61.300 0.103 0.000 1.152 654 I CB 0.373 38.429 38.000 0.092 0.000 1.151 654 I HN 0.303 nan 8.210 nan 0.000 0.410 655 W N 6.490 127.796 121.300 0.009 0.000 2.546 655 W HA 0.295 4.958 4.660 0.004 0.000 0.323 655 W C -1.217 175.305 176.519 0.006 0.000 1.272 655 W CA 0.025 57.374 57.345 0.008 0.000 1.404 655 W CB 0.533 29.997 29.460 0.007 0.000 1.411 655 W HN 0.408 nan 8.180 nan 0.000 0.480 656 D N 2.004 122.026 120.400 -0.630 0.000 2.867 656 D HA 0.121 4.764 4.640 0.004 0.000 0.308 656 D C 0.530 176.399 176.300 -0.719 0.000 1.202 656 D CA -0.478 53.158 54.000 -0.607 0.000 1.035 656 D CB 0.438 41.077 40.800 -0.268 0.000 1.427 656 D HN 0.143 nan 8.370 nan 0.000 0.570 657 E N -0.305 119.643 120.200 -0.420 0.000 2.106 657 E HA 0.054 4.407 4.350 0.004 0.000 0.192 657 E C 2.044 178.509 176.600 -0.225 0.000 0.984 657 E CA 1.841 58.053 56.400 -0.314 0.000 0.806 657 E CB -0.827 28.760 29.700 -0.188 0.000 0.750 657 E HN 0.593 nan 8.360 nan 0.000 0.458 658 G N -0.102 108.592 108.800 -0.176 0.000 2.470 658 G HA2 -0.206 3.757 3.960 0.004 0.000 0.220 658 G HA3 -0.206 3.757 3.960 0.004 0.000 0.220 658 G C 1.508 176.373 174.900 -0.058 0.000 1.121 658 G CA 0.796 45.840 45.100 -0.093 0.000 0.766 658 G HN 0.235 nan 8.290 nan 0.000 0.553 659 M N -0.544 118.982 119.600 -0.122 0.000 2.466 659 M HA 0.149 4.632 4.480 0.004 0.000 0.265 659 M C 2.391 178.723 176.300 0.054 0.000 1.122 659 M CA 0.585 55.881 55.300 -0.007 0.000 1.157 659 M CB -0.041 32.581 32.600 0.036 0.000 1.352 659 M HN 0.135 nan 8.290 nan 0.000 0.464 660 K N 0.641 120.944 120.400 -0.161 0.000 2.148 660 K HA -0.172 4.151 4.320 0.004 0.000 0.204 660 K C 1.968 178.589 176.600 0.036 0.000 1.050 660 K CA 1.166 57.442 56.287 -0.018 0.000 0.942 660 K CB 0.082 32.480 32.500 -0.170 0.000 0.724 660 K HN 0.316 nan 8.250 nan 0.000 0.446 661 Q N -0.454 119.349 119.800 0.004 0.000 2.046 661 Q HA -0.189 4.153 4.340 0.004 0.000 0.200 661 Q C 0.649 176.687 176.000 0.064 0.000 0.975 661 Q CA 1.227 57.044 55.803 0.023 0.000 0.836 661 Q CB -0.032 28.714 28.738 0.013 0.000 0.896 661 Q HN 0.350 nan 8.270 nan 0.000 0.428 662 Y N 0.287 120.585 120.300 -0.005 0.000 2.885 662 Y HA 0.041 4.593 4.550 0.004 0.000 0.380 662 Y C 0.313 176.231 175.900 0.030 0.000 1.064 662 Y CA 0.182 58.289 58.100 0.011 0.000 1.676 662 Y CB 0.009 38.477 38.460 0.014 0.000 1.633 662 Y HN 0.169 nan 8.280 nan 0.000 0.473 663 L N -0.968 120.265 121.223 0.017 0.000 2.877 663 L HA 0.094 4.437 4.340 0.004 0.000 0.275 663 L C 1.749 178.599 176.870 -0.033 0.000 1.027 663 L CA 0.533 55.379 54.840 0.011 0.000 1.135 663 L CB -0.252 41.876 42.059 0.115 0.000 2.080 663 L HN 0.232 nan 8.230 nan 0.000 0.560 664 I N -3.377 117.183 120.570 -0.017 0.000 2.493 664 I HA -0.084 4.088 4.170 0.004 0.000 0.254 664 I C 1.491 177.573 176.117 -0.058 0.000 1.160 664 I CA 1.807 63.093 61.300 -0.024 0.000 1.445 664 I CB -0.688 37.308 38.000 -0.006 0.000 1.086 664 I HN 0.080 nan 8.210 nan 0.000 0.433 665 T N -0.340 114.157 114.554 -0.095 0.000 3.034 665 T HA 0.099 4.452 4.350 0.004 0.000 0.248 665 T C 1.404 176.001 174.700 -0.172 0.000 1.040 665 T CA 0.224 62.253 62.100 -0.117 0.000 1.107 665 T CB 0.076 68.877 68.868 -0.111 0.000 0.932 665 T HN 0.273 nan 8.240 nan 0.000 0.474 666 Q N 1.951 121.598 119.800 -0.254 0.000 2.239 666 Q HA 0.219 4.561 4.340 0.004 0.000 0.219 666 Q C 0.173 176.063 176.000 -0.185 0.000 0.901 666 Q CA -0.112 55.499 55.803 -0.319 0.000 0.949 666 Q CB -0.478 27.872 28.738 -0.647 0.000 1.038 666 Q HN 0.402 nan 8.270 nan 0.000 0.458 667 N N 0.045 118.664 118.700 -0.135 0.000 2.809 667 N HA -0.220 4.523 4.740 0.004 0.000 0.244 667 N C 0.634 176.097 175.510 -0.078 0.000 1.018 667 N CA 1.464 54.456 53.050 -0.097 0.000 0.917 667 N CB -1.306 37.115 38.487 -0.110 0.000 1.130 667 N HN 0.587 nan 8.380 nan 0.000 0.591 668 G N -0.967 107.783 108.800 -0.083 0.000 2.215 668 G HA2 -0.140 3.822 3.960 0.004 0.000 0.198 668 G HA3 -0.140 3.822 3.960 0.004 0.000 0.198 668 G C -0.297 174.593 174.900 -0.015 0.000 1.047 668 G CA 0.476 45.535 45.100 -0.069 0.000 0.747 668 G HN 0.821 nan 8.290 nan 0.000 0.495 669 S N -0.806 114.901 115.700 0.012 0.000 2.537 669 S HA 0.769 5.242 4.470 0.004 0.000 0.301 669 S C 1.101 175.817 174.600 0.193 0.000 1.092 669 S CA -0.272 57.980 58.200 0.087 0.000 1.048 669 S CB 1.084 64.327 63.200 0.071 0.000 1.053 669 S HN 1.270 nan 8.310 nan 0.000 0.501 670 I N 0.616 121.313 120.570 0.212 0.000 4.009 670 I HA 0.432 4.604 4.170 0.004 0.000 0.331 670 I C -0.036 176.198 176.117 0.195 0.000 1.462 670 I CA -0.634 60.812 61.300 0.244 0.000 1.117 670 I CB 0.316 38.430 38.000 0.191 0.000 1.091 670 I HN 0.331 nan 8.210 nan 0.000 0.410 671 Q N 2.093 122.008 119.800 0.192 0.000 2.373 671 Q HA 0.311 4.654 4.340 0.004 0.000 0.255 671 Q C 1.320 177.399 176.000 0.132 0.000 0.980 671 Q CA 0.971 56.858 55.803 0.139 0.000 0.882 671 Q CB 1.141 29.952 28.738 0.122 0.000 1.249 671 Q HN 0.590 nan 8.270 nan 0.000 0.438 672 G N 1.373 110.215 108.800 0.070 0.000 2.412 672 G HA2 -0.339 3.623 3.960 0.004 0.000 0.252 672 G HA3 -0.339 3.623 3.960 0.004 0.000 0.252 672 G C 0.320 175.188 174.900 -0.054 0.000 1.038 672 G CA 0.404 45.525 45.100 0.035 0.000 0.628 672 G HN 0.527 nan 8.290 nan 0.000 0.531 673 L N 2.729 123.866 121.223 -0.143 0.000 2.653 673 L HA 0.044 4.386 4.340 0.004 0.000 0.288 673 L C 0.660 177.418 176.870 -0.186 0.000 1.243 673 L CA -0.095 54.532 54.840 -0.355 0.000 0.906 673 L CB 0.618 42.484 42.059 -0.321 0.000 1.154 673 L HN 0.157 nan 8.230 nan 0.000 0.498 674 P HA -0.219 nan 4.420 nan 0.000 0.205 674 P C 0.033 177.297 177.300 -0.061 0.000 1.164 674 P CA 1.426 64.464 63.100 -0.102 0.000 0.938 674 P CB 0.007 31.646 31.700 -0.101 0.000 0.777 675 N N -0.318 118.351 118.700 -0.053 0.000 3.234 675 N HA 0.302 5.045 4.740 0.004 0.000 0.272 675 N C -1.576 173.936 175.510 0.004 0.000 1.254 675 N CA -0.267 52.773 53.050 -0.018 0.000 1.087 675 N CB -0.308 38.171 38.487 -0.012 0.000 1.356 675 N HN -0.188 nan 8.380 nan 0.000 0.511 676 V N 2.641 122.561 119.914 0.010 0.000 2.569 676 V HA 0.458 4.581 4.120 0.004 0.000 0.301 676 V C -2.113 174.009 176.094 0.046 0.000 1.044 676 V CA -1.714 60.610 62.300 0.040 0.000 0.874 676 V CB 1.937 33.789 31.823 0.050 0.000 1.002 676 V HN 0.378 nan 8.190 nan 0.000 0.424 677 P HA 0.046 nan 4.420 nan 0.000 0.266 677 P C 0.574 177.904 177.300 0.050 0.000 1.193 677 P CA 0.070 63.199 63.100 0.049 0.000 0.770 677 P CB 0.670 32.404 31.700 0.056 0.000 0.836 678 Q N 3.036 122.857 119.800 0.035 0.000 2.152 678 Q HA -0.253 4.090 4.340 0.004 0.000 0.206 678 Q C 1.794 177.810 176.000 0.026 0.000 0.985 678 Q CA 2.354 58.175 55.803 0.031 0.000 0.863 678 Q CB -0.564 28.187 28.738 0.021 0.000 0.904 678 Q HN 0.679 nan 8.270 nan 0.000 0.422 679 E N -0.796 119.417 120.200 0.022 0.000 2.110 679 E HA -0.169 4.183 4.350 0.004 0.000 0.193 679 E C 1.796 178.389 176.600 -0.011 0.000 0.988 679 E CA 1.324 57.725 56.400 0.001 0.000 0.804 679 E CB -0.458 29.242 29.700 0.001 0.000 0.745 679 E HN 0.419 nan 8.360 nan 0.000 0.458 680 L N 0.513 121.766 121.223 0.050 0.000 2.109 680 L HA -0.044 4.299 4.340 0.004 0.000 0.207 680 L C 2.532 179.488 176.870 0.144 0.000 1.086 680 L CA 1.308 56.224 54.840 0.127 0.000 0.760 680 L CB -0.454 41.760 42.059 0.258 0.000 0.910 680 L HN 0.148 nan 8.230 nan 0.000 0.437 681 K N 0.167 120.634 120.400 0.111 0.000 2.097 681 K HA -0.179 4.144 4.320 0.004 0.000 0.206 681 K C 1.623 178.263 176.600 0.067 0.000 1.049 681 K CA 1.564 57.916 56.287 0.107 0.000 0.933 681 K CB -0.085 32.463 32.500 0.081 0.000 0.717 681 K HN 0.246 nan 8.250 nan 0.000 0.442 682 D N 0.653 121.064 120.400 0.018 0.000 2.183 682 D HA -0.110 4.532 4.640 0.004 0.000 0.203 682 D C 1.710 177.978 176.300 -0.054 0.000 0.969 682 D CA 0.654 54.649 54.000 -0.007 0.000 0.842 682 D CB -0.017 40.772 40.800 -0.019 0.000 0.957 682 D HN 0.015 nan 8.370 nan 0.000 0.484 683 L N -0.762 120.359 121.223 -0.171 0.000 2.179 683 L HA -0.019 4.323 4.340 0.004 0.000 0.208 683 L C 0.685 177.330 176.870 -0.375 0.000 1.096 683 L CA 1.312 55.931 54.840 -0.368 0.000 0.779 683 L CB -0.123 41.527 42.059 -0.683 0.000 0.922 683 L HN 0.028 nan 8.230 nan 0.000 0.443 684 Y N -0.385 119.977 120.300 0.103 0.000 2.774 684 Y HA 0.303 4.855 4.550 0.004 0.000 0.305 684 Y C 0.438 176.388 175.900 0.083 0.000 1.067 684 Y CA -0.849 57.313 58.100 0.103 0.000 1.304 684 Y CB -0.211 38.307 38.460 0.096 0.000 1.209 684 Y HN -0.102 nan 8.280 nan 0.000 0.543 685 K N 1.098 121.592 120.400 0.157 0.000 2.489 685 K HA 0.069 4.392 4.320 0.004 0.000 0.278 685 K C 0.514 177.163 176.600 0.082 0.000 1.000 685 K CA 0.251 56.606 56.287 0.112 0.000 1.012 685 K CB 0.482 33.028 32.500 0.076 0.000 0.903 685 K HN 0.117 nan 8.250 nan 0.000 0.485 686 T N 1.412 116.007 114.554 0.068 0.000 2.860 686 T HA -0.044 4.309 4.350 0.004 0.000 0.299 686 T C 1.488 176.114 174.700 -0.124 0.000 1.045 686 T CA -0.523 61.581 62.100 0.008 0.000 1.071 686 T CB 1.375 70.319 68.868 0.126 0.000 0.985 686 T HN 0.418 nan 8.240 nan 0.000 0.537 687 V N 1.594 121.281 119.914 -0.377 0.000 2.568 687 V HA -0.153 3.969 4.120 0.004 0.000 0.253 687 V C 1.314 177.137 176.094 -0.450 0.000 1.072 687 V CA 1.723 63.648 62.300 -0.624 0.000 1.084 687 V CB -0.533 30.560 31.823 -1.218 0.000 0.676 687 V HN 0.939 nan 8.190 nan 0.000 0.469 688 W N -0.104 121.119 121.300 -0.130 0.000 2.961 688 W HA 0.077 4.740 4.660 0.004 0.000 0.240 688 W C 1.980 178.496 176.519 -0.005 0.000 1.305 688 W CA 0.404 57.733 57.345 -0.027 0.000 1.465 688 W CB 0.043 29.496 29.460 -0.012 0.000 1.135 688 W HN 0.294 nan 8.180 nan 0.000 0.688 689 E N -0.415 119.870 120.200 0.142 0.000 2.630 689 E HA 0.196 4.549 4.350 0.004 0.000 0.218 689 E C 0.138 176.774 176.600 0.060 0.000 0.977 689 E CA -0.115 56.349 56.400 0.108 0.000 1.038 689 E CB 0.544 30.307 29.700 0.106 0.000 1.051 689 E HN 0.133 nan 8.360 nan 0.000 0.487 690 I N 1.695 122.277 120.570 0.019 0.000 2.460 690 I HA 0.146 4.319 4.170 0.004 0.000 0.298 690 I C 0.318 176.455 176.117 0.034 0.000 0.989 690 I CA -0.955 60.352 61.300 0.012 0.000 1.173 690 I CB 1.770 39.735 38.000 -0.057 0.000 1.338 690 I HN -0.053 nan 8.210 nan 0.000 0.456 691 S N 5.000 120.730 115.700 0.050 0.000 2.533 691 S HA 0.092 4.564 4.470 0.004 0.000 0.282 691 S C 0.699 175.338 174.600 0.065 0.000 1.304 691 S CA -0.689 57.541 58.200 0.051 0.000 1.063 691 S CB 1.245 64.465 63.200 0.034 0.000 0.881 691 S HN 0.546 nan 8.310 nan 0.000 0.493 692 Q N 1.993 121.835 119.800 0.071 0.000 2.364 692 Q HA -0.056 4.287 4.340 0.004 0.000 0.207 692 Q C 1.766 177.836 176.000 0.117 0.000 0.970 692 Q CA 1.084 56.947 55.803 0.101 0.000 0.888 692 Q CB -0.334 28.466 28.738 0.104 0.000 0.951 692 Q HN 0.882 nan 8.270 nan 0.000 0.469 693 K N 0.067 120.493 120.400 0.044 0.000 2.148 693 K HA -0.072 4.251 4.320 0.004 0.000 0.204 693 K C 1.692 178.381 176.600 0.148 0.000 1.050 693 K CA 1.204 57.491 56.287 -0.001 0.000 0.942 693 K CB 0.282 32.652 32.500 -0.217 0.000 0.724 693 K HN 0.060 nan 8.250 nan 0.000 0.446 694 T N 1.775 116.405 114.554 0.128 0.000 2.851 694 T HA -0.032 4.321 4.350 0.004 0.000 0.262 694 T C 1.762 176.595 174.700 0.222 0.000 1.043 694 T CA 0.819 63.018 62.100 0.165 0.000 1.140 694 T CB 0.019 68.977 68.868 0.149 0.000 0.872 694 T HN 0.102 nan 8.240 nan 0.000 0.446 695 I N 1.565 122.265 120.570 0.217 0.000 2.118 695 I HA -0.155 4.017 4.170 0.004 0.000 0.241 695 I C 2.261 178.517 176.117 0.232 0.000 1.070 695 I CA 1.472 62.920 61.300 0.246 0.000 1.327 695 I CB -1.098 37.021 38.000 0.198 0.000 1.034 695 I HN 0.216 nan 8.210 nan 0.000 0.405 696 I N 1.102 121.816 120.570 0.240 0.000 2.226 696 I HA -0.230 3.943 4.170 0.004 0.000 0.245 696 I C 2.320 178.546 176.117 0.181 0.000 1.100 696 I CA 1.192 62.633 61.300 0.235 0.000 1.374 696 I CB -1.679 36.541 38.000 0.368 0.000 1.057 696 I HN 0.261 nan 8.210 nan 0.000 0.413 697 N N 0.703 119.542 118.700 0.232 0.000 2.043 697 N HA -0.172 4.571 4.740 0.004 0.000 0.193 697 N C 1.916 177.475 175.510 0.081 0.000 1.037 697 N CA 1.520 54.662 53.050 0.154 0.000 0.851 697 N CB -0.337 38.260 38.487 0.183 0.000 1.027 697 N HN 0.347 nan 8.380 nan 0.000 0.422 698 M N 0.130 119.798 119.600 0.114 0.000 2.229 698 M HA -0.006 4.476 4.480 0.004 0.000 0.264 698 M C 2.175 178.476 176.300 0.001 0.000 1.063 698 M CA 1.124 56.468 55.300 0.075 0.000 1.114 698 M CB -0.149 32.548 32.600 0.160 0.000 1.387 698 M HN 0.117 nan 8.290 nan 0.000 0.420 699 A N 0.593 123.444 122.820 0.052 0.000 1.902 699 A HA -0.052 4.271 4.320 0.004 0.000 0.217 699 A C 2.381 179.945 177.584 -0.033 0.000 1.181 699 A CA 1.946 54.008 52.037 0.042 0.000 0.623 699 A CB -0.894 18.162 19.000 0.093 0.000 0.818 699 A HN 0.482 nan 8.150 nan 0.000 0.443 700 A N -0.227 122.571 122.820 -0.036 0.000 1.969 700 A HA -0.114 4.209 4.320 0.004 0.000 0.218 700 A C 1.747 179.158 177.584 -0.289 0.000 1.169 700 A CA 1.684 53.654 52.037 -0.112 0.000 0.635 700 A CB -0.480 18.500 19.000 -0.033 0.000 0.810 700 A HN 0.464 nan 8.150 nan 0.000 0.445 701 D N 0.137 120.421 120.400 -0.193 0.000 2.087 701 D HA -0.205 4.438 4.640 0.004 0.000 0.192 701 D C 2.238 178.368 176.300 -0.283 0.000 0.993 701 D CA 1.921 55.802 54.000 -0.199 0.000 0.828 701 D CB -0.437 40.315 40.800 -0.081 0.000 0.968 701 D HN 0.734 nan 8.370 nan 0.000 0.448 702 R N 0.735 121.043 120.500 -0.319 0.000 2.148 702 R HA 0.042 4.384 4.340 0.004 0.000 0.227 702 R C 2.041 178.009 176.300 -0.553 0.000 1.103 702 R CA 1.219 57.054 56.100 -0.441 0.000 0.983 702 R CB -0.481 29.207 30.300 -1.020 0.000 0.874 702 R HN -0.114 nan 8.270 nan 0.000 0.451 703 S N 1.304 116.635 115.700 -0.616 0.000 2.420 703 S HA -0.122 4.351 4.470 0.004 0.000 0.237 703 S C 2.014 176.013 174.600 -1.003 0.000 1.023 703 S CA 1.429 59.246 58.200 -0.639 0.000 0.991 703 S CB -0.264 62.643 63.200 -0.489 0.000 0.792 703 S HN 0.483 nan 8.310 nan 0.000 0.488 704 V N -1.565 117.550 119.914 -1.331 0.000 2.913 704 V HA -0.023 4.099 4.120 0.004 0.000 0.260 704 V C 1.070 176.595 176.094 -0.949 0.000 1.098 704 V CA 1.205 62.616 62.300 -1.481 0.000 1.121 704 V CB -1.143 29.928 31.823 -1.254 0.000 0.714 704 V HN 0.604 nan 8.190 nan 0.000 0.487 705 Y N -0.056 120.026 120.300 -0.363 0.000 2.531 705 Y HA 0.546 5.099 4.550 0.005 0.000 0.249 705 Y C 0.677 176.271 175.900 -0.510 0.000 1.168 705 Y CA -0.814 57.114 58.100 -0.287 0.000 1.226 705 Y CB 0.685 39.206 38.460 0.102 0.000 1.177 705 Y HN 0.144 nan 8.280 nan 0.000 0.527 706 I N 0.923 121.293 120.570 -0.333 0.000 2.330 706 I HA 0.116 4.289 4.170 0.004 0.000 0.286 706 I C 0.390 176.389 176.117 -0.196 0.000 1.025 706 I CA -0.461 60.700 61.300 -0.231 0.000 1.197 706 I CB 0.951 38.854 38.000 -0.161 0.000 1.358 706 I HN 0.187 nan 8.210 nan 0.000 0.467 707 D N 3.837 124.092 120.400 -0.242 0.000 2.191 707 D HA -0.208 4.435 4.640 0.004 0.000 0.190 707 D C 1.373 177.671 176.300 -0.004 0.000 1.007 707 D CA 1.960 55.909 54.000 -0.084 0.000 0.865 707 D CB 0.577 41.379 40.800 0.004 0.000 0.929 707 D HN 0.628 nan 8.370 nan 0.000 0.447 708 Q N -0.979 118.828 119.800 0.011 0.000 3.078 708 Q HA 0.413 4.756 4.340 0.004 0.000 0.209 708 Q C 0.388 176.432 176.000 0.073 0.000 1.169 708 Q CA -0.447 55.379 55.803 0.038 0.000 0.335 708 Q CB 0.550 29.308 28.738 0.033 0.000 5.772 708 Q HN 0.001 nan 8.270 nan 0.000 0.311 709 S N -1.142 114.612 115.700 0.090 0.000 2.851 709 S HA 0.499 4.971 4.470 0.004 0.000 0.317 709 S C -1.822 172.894 174.600 0.194 0.000 1.144 709 S CA -0.643 57.641 58.200 0.140 0.000 0.862 709 S CB 1.147 64.406 63.200 0.098 0.000 1.259 709 S HN 0.634 nan 8.310 nan 0.000 0.564 710 H N -1.479 117.578 119.070 -0.022 0.000 3.012 710 H HA 0.600 5.159 4.556 0.004 0.000 0.367 710 H C -1.120 174.260 175.328 0.085 0.000 1.211 710 H CA -0.910 55.145 56.048 0.011 0.000 1.139 710 H CB 1.091 30.762 29.762 -0.151 0.000 1.838 710 H HN 0.273 nan 8.280 nan 0.000 0.550 711 S N 2.529 118.379 115.700 0.250 0.000 4.120 711 S HA 0.036 4.509 4.470 0.004 0.000 0.215 711 S C 0.239 175.035 174.600 0.327 0.000 1.347 711 S CA -0.541 57.693 58.200 0.057 0.000 0.889 711 S CB -0.622 62.480 63.200 -0.165 0.000 1.585 711 S HN 0.462 nan 8.310 nan 0.000 0.447 712 L N 3.666 124.987 121.223 0.164 0.000 2.454 712 L HA 0.156 4.498 4.340 0.004 0.000 0.284 712 L C -0.094 176.912 176.870 0.226 0.000 1.139 712 L CA -0.205 54.775 54.840 0.233 0.000 0.911 712 L CB -0.323 41.724 42.059 -0.020 0.000 1.262 712 L HN 0.443 nan 8.230 nan 0.000 0.453 713 N N 3.606 122.453 118.700 0.245 0.000 2.492 713 N HA 0.237 4.980 4.740 0.004 0.000 0.260 713 N C -0.907 174.539 175.510 -0.108 0.000 1.215 713 N CA -0.396 52.638 53.050 -0.026 0.000 0.923 713 N CB 0.855 39.197 38.487 -0.242 0.000 1.092 713 N HN 0.336 nan 8.380 nan 0.000 0.448 714 L N 2.584 123.668 121.223 -0.231 0.000 2.325 714 L HA 0.517 4.860 4.340 0.004 0.000 0.278 714 L C -1.025 175.606 176.870 -0.398 0.000 1.023 714 L CA -0.310 54.443 54.840 -0.144 0.000 0.811 714 L CB 0.769 42.812 42.059 -0.028 0.000 1.249 714 L HN 0.454 nan 8.230 nan 0.000 0.431 715 F N 3.915 123.819 119.950 -0.077 0.000 2.477 715 F HA 0.603 5.133 4.527 0.004 0.000 0.335 715 F C -0.346 175.512 175.800 0.096 0.000 1.130 715 F CA -0.475 57.420 58.000 -0.175 0.000 0.948 715 F CB 1.323 39.889 39.000 -0.723 0.000 1.154 715 F HN 0.086 nan 8.300 nan 0.000 0.439 716 L N 4.561 126.087 121.223 0.505 0.000 2.406 716 L HA 0.476 4.818 4.340 0.004 0.000 0.272 716 L C 0.932 178.078 176.870 0.460 0.000 0.980 716 L CA -0.645 54.441 54.840 0.409 0.000 0.831 716 L CB 2.304 44.486 42.059 0.206 0.000 1.253 716 L HN 0.711 nan 8.230 nan 0.000 0.406 717 R N 2.202 122.921 120.500 0.365 0.000 2.078 717 R HA 0.092 4.435 4.340 0.004 0.000 0.224 717 R C 0.620 176.945 176.300 0.042 0.000 1.149 717 R CA 1.259 57.420 56.100 0.101 0.000 0.916 717 R CB 0.033 30.379 30.300 0.078 0.000 0.821 717 R HN 0.632 nan 8.270 nan 0.000 0.434 718 A N 3.224 126.080 122.820 0.060 0.000 2.774 718 A HA 0.300 4.623 4.320 0.004 0.000 0.326 718 A C -2.225 175.391 177.584 0.053 0.000 1.478 718 A CA -1.376 50.684 52.037 0.038 0.000 1.099 718 A CB 0.191 19.209 19.000 0.031 0.000 1.148 718 A HN 0.159 nan 8.150 nan 0.000 0.519 719 P HA 0.357 nan 4.420 nan 0.000 0.287 719 P C -0.230 177.091 177.300 0.034 0.000 1.294 719 P CA 0.181 63.312 63.100 0.051 0.000 0.776 719 P CB 1.222 32.954 31.700 0.054 0.000 0.889 720 T N -0.419 114.154 114.554 0.032 0.000 2.916 720 T HA 0.397 4.750 4.350 0.004 0.000 0.292 720 T C 1.237 175.940 174.700 0.004 0.000 1.064 720 T CA -0.833 61.280 62.100 0.023 0.000 1.011 720 T CB 1.033 69.923 68.868 0.037 0.000 1.152 720 T HN -0.049 nan 8.240 nan 0.000 0.510 721 M N 1.571 121.151 119.600 -0.033 0.000 2.108 721 M HA 0.121 4.603 4.480 0.004 0.000 0.261 721 M C 2.452 178.762 176.300 0.016 0.000 1.066 721 M CA 2.253 57.491 55.300 -0.104 0.000 1.107 721 M CB -1.235 31.175 32.600 -0.317 0.000 1.356 721 M HN 0.954 nan 8.290 nan 0.000 0.406 722 G N -1.443 107.385 108.800 0.048 0.000 2.443 722 G HA2 -0.211 3.752 3.960 0.004 0.000 0.219 722 G HA3 -0.211 3.752 3.960 0.004 0.000 0.219 722 G C 1.700 176.655 174.900 0.092 0.000 1.131 722 G CA 1.011 46.161 45.100 0.084 0.000 0.775 722 G HN 0.335 nan 8.290 nan 0.000 0.547 723 K N 0.238 120.680 120.400 0.071 0.000 2.021 723 K HA 0.223 4.546 4.320 0.004 0.000 0.205 723 K C 2.374 179.020 176.600 0.076 0.000 1.047 723 K CA 0.532 56.860 56.287 0.068 0.000 0.943 723 K CB -0.656 31.877 32.500 0.055 0.000 0.725 723 K HN 0.253 nan 8.250 nan 0.000 0.439 724 L N 0.441 121.699 121.223 0.059 0.000 2.013 724 L HA -0.263 4.079 4.340 0.004 0.000 0.212 724 L C 2.073 179.041 176.870 0.164 0.000 1.073 724 L CA 1.939 56.796 54.840 0.028 0.000 0.753 724 L CB -0.543 41.519 42.059 0.005 0.000 0.890 724 L HN 0.321 nan 8.230 nan 0.000 0.432 725 T N -1.062 113.691 114.554 0.333 0.000 2.720 725 T HA -0.188 4.164 4.350 0.004 0.000 0.268 725 T C 2.025 177.060 174.700 0.559 0.000 1.037 725 T CA 1.672 64.156 62.100 0.641 0.000 1.144 725 T CB -0.225 68.951 68.868 0.512 0.000 0.864 725 T HN 0.604 nan 8.240 nan 0.000 0.444 726 S N 1.424 117.311 115.700 0.311 0.000 2.383 726 S HA -0.072 4.401 4.470 0.004 0.000 0.227 726 S C 2.114 176.897 174.600 0.304 0.000 1.026 726 S CA 0.777 59.139 58.200 0.270 0.000 0.981 726 S CB -0.446 62.835 63.200 0.136 0.000 0.818 726 S HN 0.168 nan 8.310 nan 0.000 0.472 727 M N 2.153 121.876 119.600 0.205 0.000 2.065 727 M HA -0.083 4.399 4.480 0.004 0.000 0.259 727 M C 2.312 178.757 176.300 0.243 0.000 1.071 727 M CA 1.752 57.146 55.300 0.156 0.000 1.109 727 M CB -2.081 30.514 32.600 -0.010 0.000 1.313 727 M HN 0.402 nan 8.290 nan 0.000 0.408 728 H N -0.787 118.504 119.070 0.369 0.000 2.319 728 H HA -0.126 4.432 4.556 0.004 0.000 0.297 728 H C 2.227 177.733 175.328 0.296 0.000 1.097 728 H CA 1.683 57.953 56.048 0.369 0.000 1.285 728 H CB -0.795 29.254 29.762 0.479 0.000 1.368 728 H HN 0.328 nan 8.280 nan 0.000 0.495 729 F N -0.531 119.681 119.950 0.437 0.000 2.259 729 F HA -0.153 4.378 4.527 0.007 0.000 0.298 729 F C 2.589 178.591 175.800 0.336 0.000 1.088 729 F CA 0.695 58.908 58.000 0.355 0.000 1.358 729 F CB -0.518 38.613 39.000 0.219 0.000 1.040 729 F HN 0.065 nan 8.300 nan 0.000 0.505 730 Y N 0.810 121.307 120.300 0.328 0.000 2.089 730 Y HA -0.107 4.445 4.550 0.004 0.000 0.282 730 Y C 2.552 178.547 175.900 0.157 0.000 1.139 730 Y CA 1.476 59.695 58.100 0.198 0.000 1.123 730 Y CB -1.063 37.492 38.460 0.158 0.000 0.980 730 Y HN 0.014 nan 8.280 nan 0.000 0.493 731 G N -0.564 108.374 108.800 0.229 0.000 2.529 731 G HA2 -0.382 3.580 3.960 0.004 0.000 0.219 731 G HA3 -0.382 3.580 3.960 0.004 0.000 0.219 731 G C 1.499 176.440 174.900 0.067 0.000 1.177 731 G CA 1.107 46.303 45.100 0.161 0.000 0.773 731 G HN 0.663 nan 8.290 nan 0.000 0.573 732 W N 1.567 122.760 121.300 -0.178 0.000 2.335 732 W HA -0.062 4.600 4.660 0.003 0.000 0.311 732 W C 2.598 178.888 176.519 -0.381 0.000 1.213 732 W CA 1.897 58.883 57.345 -0.598 0.000 1.274 732 W CB -0.155 28.828 29.460 -0.795 0.000 1.148 732 W HN 0.187 nan 8.180 nan 0.000 0.498 733 K N -0.198 119.970 120.400 -0.387 0.000 2.288 733 K HA -0.106 4.216 4.320 0.004 0.000 0.201 733 K C 1.884 178.230 176.600 -0.423 0.000 1.048 733 K CA 0.924 56.886 56.287 -0.542 0.000 0.956 733 K CB -0.162 32.174 32.500 -0.274 0.000 0.746 733 K HN -0.106 nan 8.250 nan 0.000 0.461 734 K N -0.245 119.943 120.400 -0.353 0.000 2.362 734 K HA -0.038 4.284 4.320 0.004 0.000 0.200 734 K C 1.166 177.697 176.600 -0.114 0.000 1.046 734 K CA 1.066 57.209 56.287 -0.240 0.000 0.952 734 K CB -0.050 32.311 32.500 -0.231 0.000 0.753 734 K HN 0.416 nan 8.250 nan 0.000 0.466 735 G N 1.206 109.850 108.800 -0.260 0.000 2.132 735 G HA2 -0.236 3.726 3.960 0.004 0.000 0.234 735 G HA3 -0.236 3.726 3.960 0.004 0.000 0.234 735 G C 0.076 174.875 174.900 -0.167 0.000 0.989 735 G CA -0.072 44.824 45.100 -0.340 0.000 0.676 735 G HN 0.195 nan 8.290 nan 0.000 0.522 736 L N -0.537 120.715 121.223 0.049 0.000 2.506 736 L HA 0.190 4.533 4.340 0.004 0.000 0.281 736 L C 1.877 178.881 176.870 0.224 0.000 1.228 736 L CA 0.482 55.453 54.840 0.219 0.000 0.850 736 L CB 0.400 42.591 42.059 0.219 0.000 1.110 736 L HN 0.194 nan 8.230 nan 0.000 0.496 737 K N 0.584 121.109 120.400 0.208 0.000 2.056 737 K HA 0.050 4.373 4.320 0.004 0.000 0.205 737 K C 0.412 177.099 176.600 0.145 0.000 1.035 737 K CA 0.697 57.075 56.287 0.151 0.000 0.955 737 K CB 0.054 32.617 32.500 0.106 0.000 0.769 737 K HN 0.540 nan 8.250 nan 0.000 0.447 738 T N 1.285 115.890 114.554 0.085 0.000 2.863 738 T HA 0.127 4.480 4.350 0.004 0.000 0.299 738 T C 0.968 175.705 174.700 0.062 0.000 0.973 738 T CA -0.361 61.754 62.100 0.024 0.000 0.994 738 T CB 1.198 70.042 68.868 -0.040 0.000 0.961 738 T HN 0.387 nan 8.240 nan 0.000 0.552 739 G N 3.049 111.898 108.800 0.081 0.000 2.394 739 G HA2 0.070 4.033 3.960 0.004 0.000 0.215 739 G HA3 0.070 4.033 3.960 0.004 0.000 0.215 739 G C 0.363 175.380 174.900 0.196 0.000 1.165 739 G CA 0.349 45.611 45.100 0.270 0.000 0.784 739 G HN 0.578 nan 8.290 nan 0.000 0.535 740 M N -1.345 118.329 119.600 0.124 0.000 2.325 740 M HA 0.391 4.873 4.480 0.004 0.000 0.285 740 M C -0.783 175.597 176.300 0.132 0.000 1.119 740 M CA -0.927 54.462 55.300 0.149 0.000 0.959 740 M CB 1.751 34.495 32.600 0.240 0.000 1.737 740 M HN 0.106 nan 8.290 nan 0.000 0.486 741 Y N 4.133 124.374 120.300 -0.098 0.000 3.204 741 Y HA 0.317 4.870 4.550 0.004 0.000 0.213 741 Y C -0.676 175.089 175.900 -0.225 0.000 0.893 741 Y CA 0.595 58.482 58.100 -0.356 0.000 0.952 741 Y CB -0.319 37.956 38.460 -0.308 0.000 1.106 741 Y HN 0.581 nan 8.280 nan 0.000 0.467 742 Y N 1.164 121.199 120.300 -0.441 0.000 2.301 742 Y HA 0.273 4.826 4.550 0.004 0.000 0.328 742 Y C 0.273 176.069 175.900 -0.172 0.000 1.242 742 Y CA -0.347 57.601 58.100 -0.254 0.000 1.323 742 Y CB 0.523 38.720 38.460 -0.438 0.000 1.266 742 Y HN 0.145 nan 8.280 nan 0.000 0.527 743 L N 5.218 126.505 121.223 0.106 0.000 2.265 743 L HA 0.436 4.779 4.340 0.004 0.000 0.289 743 L C -0.868 176.003 176.870 0.001 0.000 1.033 743 L CA -0.603 54.243 54.840 0.009 0.000 0.814 743 L CB 0.346 42.436 42.059 0.051 0.000 1.203 743 L HN 0.678 nan 8.230 nan 0.000 0.423 744 R N 3.376 123.801 120.500 -0.124 0.000 2.407 744 R HA 0.526 4.869 4.340 0.004 0.000 0.303 744 R C -0.398 176.115 176.300 0.356 0.000 0.981 744 R CA -0.485 55.639 56.100 0.040 0.000 0.905 744 R CB 1.853 32.066 30.300 -0.145 0.000 1.099 744 R HN 0.581 nan 8.270 nan 0.000 0.459 745 T N 1.117 115.887 114.554 0.361 0.000 2.883 745 T HA 0.506 4.858 4.350 0.004 0.000 0.296 745 T C -1.238 173.464 174.700 0.003 0.000 1.117 745 T CA -0.251 61.986 62.100 0.228 0.000 1.006 745 T CB 1.515 70.451 68.868 0.114 0.000 1.191 745 T HN 0.621 nan 8.240 nan 0.000 0.508 746 Q N 0.000 119.741 119.800 -0.098 0.000 2.315 746 Q HA 0.000 4.343 4.340 0.004 0.000 0.214 746 Q CA 0.000 55.681 55.803 -0.203 0.000 1.022 746 Q CB 0.000 28.614 28.738 -0.207 0.000 1.108 746 Q HN 0.000 nan 8.270 nan 0.000 0.481