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 3kx2_1_B DATA FIRST_RESID 1 DATA SEQUENCE MGSKRRFSSE HPDPVETSIP EQAAEIAEEL SKQHPLPSEE PLVHHDAGEF DATA SEQUENCE KGLQRHHTSA EEAQKLEDGK INPFTGREFT PKYVDILKIR RELPVHAQRD DATA SEQUENCE EFLKLYQNNQ IMVFVGETGS GKTTQIPQFV LFDEMPHLEN TQVACTQPRR DATA SEQUENCE VAAMSVAQRV AEEMDVKLGE EVGYSIRFEN KTSNKTILKY MTDGMLLREA DATA SEQUENCE MEDHDLSRYS CIILDEAHER TLATDILMGL LKQVVKRRPD LKIIIMSATL DATA SEQUENCE DAEKFQRYFN DAPLLAVPGR TYPVELYYTP EFQRDYLDSA IRTVLQIHAT DATA SEQUENCE EEAGDILLFL TGEDEIEDAV RKISLEGDQL VREEGCGPLS VYPLYGSLPP DATA SEQUENCE HQQQRIFEPA PESHNGRPGR KVVISTNIAE TSLTIDGIVY VVDPGFSKQK DATA SEQUENCE VYNPRIRVES LLVSPISKAS AQQRAGRAGR TRPGKCFRLY TEEAFQKELI DATA SEQUENCE EQSYPEILRS NLSSTVLELK KLGIDDLVHF DFMDPPAPET MMRALEELNY DATA SEQUENCE LACLDDEGNL TPLGRLASQF PLDPMLAVML IGSFEFQCSQ EILTIVAMLS DATA SEQUENCE VPNVFIRPTK DKKRADDAKN IFAHPDGDHI TLLNVYHAFK SDEAYEYGIH DATA SEQUENCE KWCRDHYLNY RSLSAADNIR SQLERLMNRY NLELNTTDYE SPKYFDNIRK DATA SEQUENCE ALASGFFMQV AKKRSGAKGY ITVKDNQDVL IHPSTVLGHD AEWVIYNEFV DATA SEQUENCE LTSKNYIRTV TSVRPEWLIE IAPAYYDLSN FQKGDVKLSL ERIKEKVDRL DATA SEQUENCE NELKQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.284 176.300 -0.026 0.000 1.140 1 M CA 0.000 55.280 55.300 -0.034 0.000 0.988 1 M CB 0.000 32.587 32.600 -0.021 0.000 1.302 2 G N 2.187 110.971 108.800 -0.027 0.000 2.484 2 G HA2 -0.026 3.935 3.960 0.002 0.000 0.215 2 G HA3 -0.026 3.935 3.960 0.002 0.000 0.215 2 G C 0.633 175.520 174.900 -0.022 0.000 1.219 2 G CA 1.210 46.298 45.100 -0.020 0.000 0.791 2 G HN 0.450 nan 8.290 nan 0.000 0.550 3 S N 0.075 115.756 115.700 -0.031 0.000 2.632 3 S HA 0.428 4.899 4.470 0.002 0.000 0.271 3 S C 0.172 174.742 174.600 -0.049 0.000 1.260 3 S CA -0.680 57.499 58.200 -0.035 0.000 1.010 3 S CB 1.502 64.679 63.200 -0.037 0.000 0.965 3 S HN 0.160 nan 8.310 nan 0.000 0.534 4 K N 2.293 122.665 120.400 -0.047 0.000 2.447 4 K HA 0.014 4.335 4.320 0.002 0.000 0.281 4 K C 0.384 176.911 176.600 -0.123 0.000 1.031 4 K CA 0.085 56.336 56.287 -0.060 0.000 1.019 4 K CB 0.145 32.624 32.500 -0.035 0.000 0.918 4 K HN 0.572 nan 8.250 nan 0.000 0.476 5 R N 3.990 124.379 120.500 -0.186 0.000 2.570 5 R HA -0.010 4.331 4.340 0.002 0.000 0.277 5 R C -0.249 175.743 176.300 -0.514 0.000 1.039 5 R CA 0.309 56.194 56.100 -0.360 0.000 1.065 5 R CB 0.491 30.509 30.300 -0.469 0.000 0.964 5 R HN 0.482 nan 8.270 nan 0.000 0.428 6 R N 3.358 123.593 120.500 -0.442 0.000 2.404 6 R HA 0.282 4.622 4.340 0.002 0.000 0.291 6 R C -0.825 175.171 176.300 -0.506 0.000 1.025 6 R CA -0.328 55.568 56.100 -0.340 0.000 0.991 6 R CB 0.828 31.046 30.300 -0.137 0.000 1.053 6 R HN 0.383 nan 8.270 nan 0.000 0.479 7 F N -0.158 119.819 119.950 0.045 0.000 2.575 7 F HA 0.522 5.050 4.527 0.002 0.000 0.330 7 F C 0.441 176.276 175.800 0.059 0.000 1.056 7 F CA -0.434 57.604 58.000 0.063 0.000 0.964 7 F CB 2.106 41.133 39.000 0.045 0.000 1.258 7 F HN 0.593 nan 8.300 nan 0.000 0.484 8 S N -1.552 114.320 115.700 0.286 0.000 2.636 8 S HA 0.272 4.743 4.470 0.002 0.000 0.268 8 S C 0.307 174.959 174.600 0.086 0.000 1.159 8 S CA -0.213 58.070 58.200 0.139 0.000 0.815 8 S CB 0.896 64.151 63.200 0.091 0.000 1.130 8 S HN 0.719 nan 8.310 nan 0.000 0.471 9 S N 0.513 116.230 115.700 0.027 0.000 2.419 9 S HA -0.183 4.288 4.470 0.002 0.000 0.235 9 S C 1.360 175.937 174.600 -0.038 0.000 1.019 9 S CA 1.347 59.547 58.200 0.000 0.000 0.982 9 S CB -0.883 62.311 63.200 -0.010 0.000 0.789 9 S HN 0.814 nan 8.310 nan 0.000 0.490 10 E N 0.761 120.889 120.200 -0.120 0.000 2.170 10 E HA -0.065 4.286 4.350 0.002 0.000 0.191 10 E C -0.017 176.332 176.600 -0.419 0.000 0.981 10 E CA 0.662 56.880 56.400 -0.303 0.000 0.830 10 E CB -0.371 29.059 29.700 -0.448 0.000 0.775 10 E HN 0.705 nan 8.360 nan 0.000 0.470 11 H N 1.365 120.506 119.070 0.118 0.000 2.569 11 H HA 0.403 4.960 4.556 0.002 0.000 0.247 11 H C -2.536 172.947 175.328 0.259 0.000 1.346 11 H CA -2.433 53.716 56.048 0.169 0.000 1.502 11 H CB 0.939 30.787 29.762 0.145 0.000 1.512 11 H HN 0.093 nan 8.280 nan 0.000 0.502 12 P HA -0.003 nan 4.420 nan 0.000 0.276 12 P C 0.376 177.648 177.300 -0.047 0.000 1.252 12 P CA -0.428 62.750 63.100 0.130 0.000 0.802 12 P CB 1.171 32.900 31.700 0.047 0.000 1.035 13 D N 2.047 122.157 120.400 -0.483 0.000 2.339 13 D HA 0.052 4.693 4.640 0.002 0.000 0.256 13 D C -1.320 174.703 176.300 -0.461 0.000 1.214 13 D CA -2.162 51.154 54.000 -1.140 0.000 0.877 13 D CB 0.422 40.525 40.800 -1.162 0.000 1.111 13 D HN 0.141 nan 8.370 nan 0.000 0.478 14 P HA -0.158 nan 4.420 nan 0.000 0.218 14 P C 1.511 178.751 177.300 -0.100 0.000 1.148 14 P CA 0.537 63.582 63.100 -0.091 0.000 0.822 14 P CB 0.432 32.133 31.700 0.003 0.000 0.784 15 V N 0.878 120.699 119.914 -0.156 0.000 2.379 15 V HA -0.171 3.949 4.120 0.002 0.000 0.245 15 V C 2.725 178.757 176.094 -0.103 0.000 1.044 15 V CA 1.878 64.117 62.300 -0.101 0.000 1.036 15 V CB -1.271 30.496 31.823 -0.093 0.000 0.664 15 V HN 0.184 nan 8.190 nan 0.000 0.453 16 E N 0.727 120.835 120.200 -0.154 0.000 2.208 16 E HA -0.174 4.177 4.350 0.002 0.000 0.193 16 E C 1.787 178.331 176.600 -0.093 0.000 0.988 16 E CA 1.539 57.868 56.400 -0.118 0.000 0.828 16 E CB 0.054 29.671 29.700 -0.138 0.000 0.763 16 E HN 0.747 nan 8.360 nan 0.000 0.478 17 T N -1.574 112.922 114.554 -0.097 0.000 3.145 17 T HA 0.141 4.492 4.350 0.002 0.000 0.255 17 T C 0.504 175.166 174.700 -0.063 0.000 1.039 17 T CA -0.215 61.842 62.100 -0.073 0.000 0.928 17 T CB 0.555 69.385 68.868 -0.063 0.000 1.029 17 T HN -0.027 nan 8.240 nan 0.000 0.554 18 S N 0.696 116.363 115.700 -0.056 0.000 2.465 18 S HA 0.410 4.881 4.470 0.002 0.000 0.279 18 S C 1.171 175.740 174.600 -0.051 0.000 1.201 18 S CA -0.838 57.343 58.200 -0.032 0.000 1.053 18 S CB -0.099 63.096 63.200 -0.008 0.000 0.953 18 S HN 0.394 nan 8.310 nan 0.000 0.488 19 I N 6.137 126.678 120.570 -0.049 0.000 2.252 19 I HA -0.006 4.165 4.170 0.002 0.000 0.245 19 I C -0.889 175.149 176.117 -0.131 0.000 1.102 19 I CA 0.569 61.791 61.300 -0.130 0.000 1.385 19 I CB -1.009 36.864 38.000 -0.212 0.000 1.064 19 I HN 0.500 nan 8.210 nan 0.000 0.414 20 P HA -0.208 nan 4.420 nan 0.000 0.216 20 P C 1.396 178.660 177.300 -0.060 0.000 1.150 20 P CA 1.331 64.396 63.100 -0.058 0.000 0.837 20 P CB 0.036 31.738 31.700 0.004 0.000 0.786 21 E N 0.466 120.644 120.200 -0.036 0.000 2.097 21 E HA -0.256 4.095 4.350 0.002 0.000 0.196 21 E C 1.996 178.576 176.600 -0.034 0.000 1.000 21 E CA 1.697 58.082 56.400 -0.025 0.000 0.804 21 E CB -0.874 28.813 29.700 -0.023 0.000 0.740 21 E HN 0.262 nan 8.360 nan 0.000 0.454 22 Q N -0.257 119.502 119.800 -0.068 0.000 2.084 22 Q HA -0.144 4.197 4.340 0.002 0.000 0.202 22 Q C 2.272 178.239 176.000 -0.055 0.000 0.978 22 Q CA 1.586 57.347 55.803 -0.069 0.000 0.844 22 Q CB -0.293 28.377 28.738 -0.114 0.000 0.898 22 Q HN 0.444 nan 8.270 nan 0.000 0.426 23 A N 1.213 123.949 122.820 -0.141 0.000 1.877 23 A HA -0.132 4.189 4.320 0.002 0.000 0.216 23 A C 2.340 180.002 177.584 0.131 0.000 1.186 23 A CA 1.610 53.566 52.037 -0.135 0.000 0.620 23 A CB -0.903 17.798 19.000 -0.498 0.000 0.822 23 A HN 0.402 nan 8.150 nan 0.000 0.443 24 A N -0.209 122.653 122.820 0.070 0.000 1.940 24 A HA -0.204 4.117 4.320 0.002 0.000 0.219 24 A C 1.909 179.555 177.584 0.103 0.000 1.176 24 A CA 1.775 53.875 52.037 0.104 0.000 0.631 24 A CB -0.557 18.480 19.000 0.061 0.000 0.814 24 A HN 0.662 nan 8.150 nan 0.000 0.446 25 E N -0.395 119.849 120.200 0.074 0.000 2.072 25 E HA -0.134 4.217 4.350 0.002 0.000 0.191 25 E C 1.872 178.525 176.600 0.090 0.000 0.985 25 E CA 1.146 57.585 56.400 0.065 0.000 0.801 25 E CB -0.281 29.442 29.700 0.038 0.000 0.750 25 E HN 0.708 nan 8.360 nan 0.000 0.452 26 I N 1.110 121.758 120.570 0.129 0.000 2.226 26 I HA -0.283 3.887 4.170 0.002 0.000 0.245 26 I C 2.528 178.725 176.117 0.133 0.000 1.100 26 I CA 1.043 62.433 61.300 0.150 0.000 1.374 26 I CB -0.280 37.877 38.000 0.261 0.000 1.057 26 I HN 0.095 nan 8.210 nan 0.000 0.413 27 A N 0.097 123.024 122.820 0.177 0.000 1.898 27 A HA -0.244 4.077 4.320 0.002 0.000 0.216 27 A C 2.302 179.962 177.584 0.126 0.000 1.181 27 A CA 1.731 53.858 52.037 0.150 0.000 0.620 27 A CB -0.593 18.539 19.000 0.220 0.000 0.819 27 A HN 0.487 nan 8.150 nan 0.000 0.442 28 E N -0.397 119.873 120.200 0.117 0.000 2.077 28 E HA -0.235 4.116 4.350 0.002 0.000 0.193 28 E C 2.046 178.693 176.600 0.079 0.000 0.989 28 E CA 1.237 57.694 56.400 0.096 0.000 0.800 28 E CB -0.138 29.607 29.700 0.076 0.000 0.746 28 E HN 0.620 nan 8.360 nan 0.000 0.452 29 E N 0.543 120.784 120.200 0.069 0.000 2.110 29 E HA -0.178 4.173 4.350 0.002 0.000 0.193 29 E C 2.285 178.918 176.600 0.056 0.000 0.988 29 E CA 0.708 57.141 56.400 0.055 0.000 0.804 29 E CB -0.077 29.651 29.700 0.048 0.000 0.745 29 E HN 0.371 nan 8.360 nan 0.000 0.458 30 L N 0.353 121.611 121.223 0.059 0.000 2.017 30 L HA -0.187 4.154 4.340 0.002 0.000 0.208 30 L C 2.677 179.591 176.870 0.073 0.000 1.073 30 L CA 1.181 56.054 54.840 0.054 0.000 0.745 30 L CB -0.399 41.679 42.059 0.031 0.000 0.894 30 L HN 0.058 nan 8.230 nan 0.000 0.432 31 S N -0.499 115.251 115.700 0.084 0.000 2.368 31 S HA -0.217 4.254 4.470 0.002 0.000 0.225 31 S C 1.899 176.548 174.600 0.082 0.000 1.030 31 S CA 1.209 59.465 58.200 0.094 0.000 0.999 31 S CB -0.180 63.097 63.200 0.127 0.000 0.844 31 S HN 0.279 nan 8.310 nan 0.000 0.459 32 K N 0.469 120.909 120.400 0.066 0.000 2.519 32 K HA -0.048 4.273 4.320 0.002 0.000 0.196 32 K C 1.927 178.544 176.600 0.027 0.000 1.041 32 K CA 0.668 56.981 56.287 0.043 0.000 0.954 32 K CB 0.015 32.537 32.500 0.037 0.000 0.774 32 K HN 0.149 nan 8.250 nan 0.000 0.480 33 Q N -0.932 118.898 119.800 0.050 0.000 2.376 33 Q HA 0.043 4.384 4.340 0.002 0.000 0.206 33 Q C -0.260 175.737 176.000 -0.005 0.000 0.921 33 Q CA 0.821 56.647 55.803 0.039 0.000 0.911 33 Q CB 0.666 29.462 28.738 0.095 0.000 1.032 33 Q HN 0.219 nan 8.270 nan 0.000 0.510 34 H N -0.312 118.759 119.070 0.002 0.000 2.562 34 H HA 0.258 4.814 4.556 0.002 0.000 0.230 34 H C -2.402 172.924 175.328 -0.004 0.000 1.415 34 H CA -1.841 54.205 56.048 -0.004 0.000 1.454 34 H CB 0.963 30.719 29.762 -0.011 0.000 1.716 34 H HN 0.068 nan 8.280 nan 0.000 0.538 35 P HA -0.076 nan 4.420 nan 0.000 0.256 35 P C 0.737 178.059 177.300 0.037 0.000 1.173 35 P CA 0.209 63.330 63.100 0.035 0.000 0.768 35 P CB 0.278 31.982 31.700 0.006 0.000 0.758 36 L N 3.843 125.084 121.223 0.031 0.000 2.483 36 L HA 0.404 4.745 4.340 0.002 0.000 0.276 36 L C -1.841 175.031 176.870 0.004 0.000 1.213 36 L CA -1.735 53.109 54.840 0.006 0.000 0.843 36 L CB -0.863 41.175 42.059 -0.035 0.000 1.107 36 L HN 0.212 nan 8.230 nan 0.000 0.487 37 P HA 0.196 nan 4.420 nan 0.000 0.282 37 P C -0.580 176.716 177.300 -0.006 0.000 1.286 37 P CA -0.576 62.522 63.100 -0.003 0.000 0.777 37 P CB 0.475 32.171 31.700 -0.006 0.000 1.184 38 S N -1.498 114.198 115.700 -0.007 0.000 2.687 38 S HA 0.238 4.709 4.470 0.002 0.000 0.283 38 S C 0.058 174.651 174.600 -0.011 0.000 1.170 38 S CA -0.877 57.319 58.200 -0.008 0.000 1.008 38 S CB 0.523 63.717 63.200 -0.009 0.000 1.026 38 S HN 0.343 nan 8.310 nan 0.000 0.541 39 E N 1.977 122.170 120.200 -0.012 0.000 2.708 39 E HA -0.071 4.280 4.350 0.002 0.000 0.260 39 E C 0.376 176.966 176.600 -0.016 0.000 0.937 39 E CA 0.478 56.868 56.400 -0.015 0.000 0.953 39 E CB 0.212 29.900 29.700 -0.020 0.000 0.915 39 E HN 0.781 nan 8.360 nan 0.000 0.487 40 E N 4.518 124.709 120.200 -0.015 0.000 2.452 40 E HA 0.105 4.456 4.350 0.002 0.000 0.261 40 E C -2.009 174.583 176.600 -0.014 0.000 0.987 40 E CA -1.336 55.056 56.400 -0.013 0.000 0.926 40 E CB -0.160 29.533 29.700 -0.011 0.000 0.934 40 E HN 0.139 nan 8.360 nan 0.000 0.452 41 P HA -0.028 nan 4.420 nan 0.000 0.269 41 P C -0.171 177.129 177.300 0.001 0.000 1.209 41 P CA -0.041 63.056 63.100 -0.006 0.000 0.776 41 P CB 0.662 32.362 31.700 0.000 0.000 0.876 42 L N 1.514 122.739 121.223 0.003 0.000 2.473 42 L HA 0.270 4.611 4.340 0.002 0.000 0.268 42 L C 0.567 177.475 176.870 0.062 0.000 1.215 42 L CA -0.189 54.665 54.840 0.023 0.000 0.823 42 L CB 0.346 42.414 42.059 0.014 0.000 1.099 42 L HN 0.154 nan 8.230 nan 0.000 0.483 43 V N -0.068 119.897 119.914 0.085 0.000 2.971 43 V HA 0.475 4.596 4.120 0.002 0.000 0.309 43 V C -0.986 175.213 176.094 0.176 0.000 1.130 43 V CA -0.592 61.764 62.300 0.094 0.000 0.964 43 V CB 2.129 33.972 31.823 0.032 0.000 1.029 43 V HN 1.007 nan 8.190 nan 0.000 0.427 44 H N 0.914 120.033 119.070 0.082 0.000 2.960 44 H HA 0.770 5.327 4.556 0.001 0.000 0.338 44 H C -1.176 174.258 175.328 0.178 0.000 1.261 44 H CA -0.938 55.202 56.048 0.154 0.000 1.136 44 H CB 1.567 31.455 29.762 0.210 0.000 1.875 44 H HN 0.723 nan 8.280 nan 0.000 0.550 45 H N -0.006 119.190 119.070 0.211 0.000 2.466 45 H HA 0.420 4.977 4.556 0.002 0.000 0.338 45 H C -1.434 174.062 175.328 0.280 0.000 1.091 45 H CA -0.673 55.447 56.048 0.120 0.000 1.207 45 H CB 1.444 31.265 29.762 0.098 0.000 1.466 45 H HN 0.707 nan 8.280 nan 0.000 0.493 46 D N 3.504 123.715 120.400 -0.315 0.000 2.602 46 D HA 0.318 4.959 4.640 0.002 0.000 0.245 46 D C -0.990 175.131 176.300 -0.299 0.000 1.325 46 D CA -0.349 53.597 54.000 -0.090 0.000 0.952 46 D CB 1.176 42.039 40.800 0.106 0.000 1.317 46 D HN 0.654 nan 8.370 nan 0.000 0.577 47 A N 2.302 125.021 122.820 -0.168 0.000 2.631 47 A HA 0.614 4.935 4.320 0.002 0.000 0.294 47 A C 1.321 178.909 177.584 0.006 0.000 1.156 47 A CA 0.226 52.214 52.037 -0.081 0.000 0.963 47 A CB -0.227 18.790 19.000 0.029 0.000 1.202 47 A HN 1.121 nan 8.150 nan 0.000 0.523 48 G N 0.552 109.370 108.800 0.030 0.000 2.159 48 G HA2 -0.316 3.645 3.960 0.002 0.000 0.256 48 G HA3 -0.316 3.645 3.960 0.002 0.000 0.256 48 G C 0.722 175.645 174.900 0.038 0.000 0.977 48 G CA 0.553 45.678 45.100 0.041 0.000 0.652 48 G HN 0.721 nan 8.290 nan 0.000 0.531 49 E N -0.306 119.906 120.200 0.019 0.000 2.338 49 E HA 0.017 4.368 4.350 0.002 0.000 0.197 49 E C 1.589 178.073 176.600 -0.193 0.000 1.007 49 E CA 0.748 57.089 56.400 -0.099 0.000 0.849 49 E CB -0.259 29.338 29.700 -0.172 0.000 0.774 49 E HN 0.526 nan 8.360 nan 0.000 0.506 50 F N 1.397 121.357 119.950 0.017 0.000 2.749 50 F HA 0.157 4.685 4.527 0.002 0.000 0.300 50 F C 0.827 176.638 175.800 0.019 0.000 1.103 50 F CA -0.160 57.852 58.000 0.020 0.000 1.342 50 F CB 0.313 39.314 39.000 0.002 0.000 1.098 50 F HN -0.303 nan 8.300 nan 0.000 0.586 51 K N 0.644 121.131 120.400 0.144 0.000 2.489 51 K HA 0.203 4.524 4.320 0.002 0.000 0.278 51 K C 1.285 177.933 176.600 0.079 0.000 1.000 51 K CA 0.967 57.309 56.287 0.090 0.000 1.012 51 K CB -0.101 32.430 32.500 0.052 0.000 0.903 51 K HN 0.386 nan 8.250 nan 0.000 0.485 52 G N 1.139 109.983 108.800 0.073 0.000 2.213 52 G HA2 -0.248 3.713 3.960 0.002 0.000 0.236 52 G HA3 -0.248 3.713 3.960 0.002 0.000 0.236 52 G C -0.327 174.627 174.900 0.091 0.000 0.991 52 G CA -0.361 44.777 45.100 0.064 0.000 0.629 52 G HN 0.388 nan 8.290 nan 0.000 0.517 53 L N 1.097 122.402 121.223 0.138 0.000 2.282 53 L HA 0.638 4.979 4.340 0.002 0.000 0.288 53 L C 0.349 177.298 176.870 0.133 0.000 1.033 53 L CA -0.391 54.553 54.840 0.173 0.000 0.807 53 L CB 1.864 44.105 42.059 0.303 0.000 1.209 53 L HN 0.364 nan 8.230 nan 0.000 0.423 54 Q N 4.008 123.885 119.800 0.128 0.000 2.325 54 Q HA 0.352 4.693 4.340 0.002 0.000 0.262 54 Q C -0.189 175.890 176.000 0.131 0.000 0.968 54 Q CA -0.837 55.036 55.803 0.118 0.000 0.877 54 Q CB 1.033 29.844 28.738 0.122 0.000 1.253 54 Q HN 0.494 nan 8.270 nan 0.000 0.448 55 R N 3.074 123.596 120.500 0.037 0.000 2.504 55 R HA -0.123 4.218 4.340 0.002 0.000 0.291 55 R C -0.524 175.737 176.300 -0.065 0.000 0.974 55 R CA 1.227 57.262 56.100 -0.108 0.000 1.077 55 R CB -0.046 30.093 30.300 -0.267 0.000 0.926 55 R HN 1.046 nan 8.270 nan 0.000 0.407 56 H N 1.209 120.298 119.070 0.032 0.000 3.211 56 H HA -0.210 4.346 4.556 0.001 0.000 0.240 56 H C -0.441 174.657 175.328 -0.383 0.000 1.148 56 H CA 1.212 57.181 56.048 -0.132 0.000 1.160 56 H CB -1.195 28.430 29.762 -0.228 0.000 1.232 56 H HN 0.795 nan 8.280 nan 0.000 0.321 57 H N -1.189 117.970 119.070 0.149 0.000 2.665 57 H HA 0.244 4.801 4.556 0.001 0.000 0.248 57 H C 0.135 175.520 175.328 0.095 0.000 1.175 57 H CA 0.178 56.288 56.048 0.102 0.000 0.952 57 H CB 1.061 30.867 29.762 0.073 0.000 1.883 57 H HN 0.101 nan 8.280 nan 0.000 0.623 58 T N 0.942 115.601 114.554 0.176 0.000 2.882 58 T HA 0.420 4.771 4.350 0.002 0.000 0.287 58 T C 0.326 175.094 174.700 0.113 0.000 1.014 58 T CA -0.387 61.807 62.100 0.158 0.000 1.049 58 T CB 0.897 69.880 68.868 0.192 0.000 1.001 58 T HN 0.459 nan 8.240 nan 0.000 0.525 59 S N 0.661 116.411 115.700 0.083 0.000 2.634 59 S HA 0.704 5.175 4.470 0.002 0.000 0.296 59 S C 1.246 175.841 174.600 -0.009 0.000 1.104 59 S CA -0.362 57.862 58.200 0.039 0.000 0.920 59 S CB 1.468 64.689 63.200 0.034 0.000 1.111 59 S HN 0.714 nan 8.310 nan 0.000 0.493 60 A N 0.781 123.572 122.820 -0.049 0.000 1.902 60 A HA -0.067 4.254 4.320 0.002 0.000 0.217 60 A C 2.005 179.531 177.584 -0.097 0.000 1.181 60 A CA 1.728 53.694 52.037 -0.119 0.000 0.623 60 A CB -1.147 17.776 19.000 -0.130 0.000 0.818 60 A HN 0.980 nan 8.150 nan 0.000 0.443 61 E N -0.065 120.104 120.200 -0.051 0.000 2.058 61 E HA -0.250 4.101 4.350 0.002 0.000 0.194 61 E C 1.928 178.501 176.600 -0.044 0.000 0.997 61 E CA 1.602 57.978 56.400 -0.040 0.000 0.801 61 E CB -0.150 29.541 29.700 -0.016 0.000 0.746 61 E HN 0.767 nan 8.360 nan 0.000 0.450 62 E N 0.106 120.291 120.200 -0.025 0.000 2.077 62 E HA -0.200 4.151 4.350 0.002 0.000 0.193 62 E C 2.035 178.600 176.600 -0.057 0.000 0.989 62 E CA 1.000 57.396 56.400 -0.008 0.000 0.800 62 E CB -0.157 29.570 29.700 0.044 0.000 0.746 62 E HN 0.321 nan 8.360 nan 0.000 0.452 63 A N 1.407 124.147 122.820 -0.134 0.000 1.877 63 A HA -0.268 4.053 4.320 0.002 0.000 0.216 63 A C 2.098 179.446 177.584 -0.394 0.000 1.186 63 A CA 1.498 53.287 52.037 -0.413 0.000 0.620 63 A CB -0.553 18.114 19.000 -0.555 0.000 0.822 63 A HN 0.183 nan 8.150 nan 0.000 0.443 64 Q N -0.760 118.902 119.800 -0.231 0.000 2.112 64 Q HA -0.274 4.067 4.340 0.002 0.000 0.206 64 Q C 2.161 178.108 176.000 -0.088 0.000 0.987 64 Q CA 1.865 57.584 55.803 -0.140 0.000 0.858 64 Q CB -0.247 28.440 28.738 -0.086 0.000 0.905 64 Q HN 0.554 nan 8.270 nan 0.000 0.420 65 K N 0.666 121.025 120.400 -0.069 0.000 2.020 65 K HA -0.170 4.151 4.320 0.002 0.000 0.212 65 K C 1.890 178.486 176.600 -0.006 0.000 1.050 65 K CA 1.197 57.466 56.287 -0.029 0.000 0.929 65 K CB -0.297 32.192 32.500 -0.020 0.000 0.714 65 K HN 0.061 nan 8.250 nan 0.000 0.443 66 L N 1.192 122.404 121.223 -0.018 0.000 2.017 66 L HA -0.153 4.188 4.340 0.002 0.000 0.208 66 L C 2.109 179.086 176.870 0.179 0.000 1.073 66 L CA 1.867 56.740 54.840 0.055 0.000 0.745 66 L CB -1.331 40.775 42.059 0.078 0.000 0.894 66 L HN 0.352 nan 8.230 nan 0.000 0.432 67 E N -0.339 119.922 120.200 0.101 0.000 2.160 67 E HA -0.218 4.133 4.350 0.002 0.000 0.195 67 E C 1.516 178.146 176.600 0.049 0.000 0.991 67 E CA 1.182 57.665 56.400 0.137 0.000 0.810 67 E CB -0.043 29.677 29.700 0.033 0.000 0.742 67 E HN 0.468 nan 8.360 nan 0.000 0.466 68 D N 0.319 120.741 120.400 0.037 0.000 2.317 68 D HA 0.005 4.646 4.640 0.002 0.000 0.211 68 D C 0.976 177.327 176.300 0.085 0.000 0.966 68 D CA 0.427 54.444 54.000 0.027 0.000 0.876 68 D CB -0.301 40.502 40.800 0.004 0.000 0.927 68 D HN 0.096 nan 8.370 nan 0.000 0.519 69 G N 1.163 110.049 108.800 0.143 0.000 2.712 69 G HA2 0.029 3.990 3.960 0.002 0.000 0.258 69 G HA3 0.029 3.990 3.960 0.002 0.000 0.258 69 G C 1.182 176.231 174.900 0.248 0.000 1.241 69 G CA -0.210 44.986 45.100 0.160 0.000 0.923 69 G HN 0.061 nan 8.290 nan 0.000 0.548 70 K N -0.965 119.533 120.400 0.165 0.000 2.242 70 K HA 0.131 4.452 4.320 0.002 0.000 0.200 70 K C 0.847 177.501 176.600 0.089 0.000 1.050 70 K CA 0.271 56.649 56.287 0.152 0.000 0.981 70 K CB 0.309 32.850 32.500 0.070 0.000 0.795 70 K HN 0.378 nan 8.250 nan 0.000 0.477 71 I N 3.001 123.554 120.570 -0.029 0.000 2.404 71 I HA 0.235 4.406 4.170 0.002 0.000 0.293 71 I C -1.188 174.610 176.117 -0.532 0.000 0.992 71 I CA -0.685 60.463 61.300 -0.253 0.000 1.149 71 I CB 1.671 39.575 38.000 -0.160 0.000 1.315 71 I HN 0.017 nan 8.210 nan 0.000 0.446 72 N N 9.657 127.729 118.700 -1.047 0.000 2.434 72 N HA 0.119 4.860 4.740 0.002 0.000 0.268 72 N C -2.000 173.230 175.510 -0.466 0.000 1.256 72 N CA -1.430 50.903 53.050 -1.195 0.000 0.914 72 N CB 1.173 38.995 38.487 -1.107 0.000 1.088 72 N HN 0.394 nan 8.380 nan 0.000 0.478 73 P HA -0.062 nan 4.420 nan 0.000 0.217 73 P C 0.790 177.959 177.300 -0.219 0.000 1.150 73 P CA 1.272 64.122 63.100 -0.418 0.000 0.832 73 P CB 0.021 31.199 31.700 -0.870 0.000 0.787 74 F N -0.567 119.400 119.950 0.029 0.000 2.456 74 F HA -0.009 4.518 4.527 0.001 0.000 0.298 74 F C 1.780 177.552 175.800 -0.048 0.000 1.104 74 F CA 0.987 58.988 58.000 0.002 0.000 1.435 74 F CB -1.283 37.638 39.000 -0.131 0.000 1.078 74 F HN -0.022 nan 8.300 nan 0.000 0.546 75 T N -3.565 110.959 114.554 -0.051 0.000 2.768 75 T HA 0.608 4.959 4.350 0.002 0.000 0.268 75 T C 1.234 175.515 174.700 -0.698 0.000 0.969 75 T CA -0.131 61.781 62.100 -0.314 0.000 1.008 75 T CB 1.064 69.800 68.868 -0.220 0.000 1.371 75 T HN -0.051 nan 8.240 nan 0.000 0.587 76 G N -0.582 107.748 108.800 -0.783 0.000 3.126 76 G HA2 0.244 4.205 3.960 0.002 0.000 0.224 76 G HA3 0.244 4.205 3.960 0.002 0.000 0.224 76 G C 0.489 175.212 174.900 -0.294 0.000 1.142 76 G CA -0.517 44.242 45.100 -0.569 0.000 0.759 76 G HN 0.613 nan 8.290 nan 0.000 0.550 77 R N 0.674 120.994 120.500 -0.301 0.000 2.500 77 R HA 0.377 4.718 4.340 0.002 0.000 0.277 77 R C -0.397 175.736 176.300 -0.278 0.000 1.026 77 R CA -0.683 55.279 56.100 -0.229 0.000 1.058 77 R CB 1.180 31.372 30.300 -0.181 0.000 1.078 77 R HN 0.140 nan 8.270 nan 0.000 0.509 78 E N 1.578 121.674 120.200 -0.173 0.000 2.415 78 E HA -0.050 4.301 4.350 0.002 0.000 0.263 78 E C -0.905 175.619 176.600 -0.126 0.000 0.995 78 E CA -0.032 56.291 56.400 -0.129 0.000 0.915 78 E CB 0.305 29.979 29.700 -0.043 0.000 0.951 78 E HN 0.197 nan 8.360 nan 0.000 0.449 79 F N 3.208 123.089 119.950 -0.115 0.000 2.572 79 F HA 0.052 4.580 4.527 0.002 0.000 0.370 79 F C 1.134 176.903 175.800 -0.052 0.000 1.103 79 F CA 0.115 58.004 58.000 -0.186 0.000 1.286 79 F CB 0.443 39.290 39.000 -0.255 0.000 1.105 79 F HN 0.447 nan 8.300 nan 0.000 0.583 80 T N 1.793 116.494 114.554 0.245 0.000 2.874 80 T HA 0.317 4.668 4.350 0.002 0.000 0.281 80 T C -1.924 172.892 174.700 0.194 0.000 0.994 80 T CA -1.801 60.406 62.100 0.178 0.000 1.015 80 T CB 1.592 70.546 68.868 0.142 0.000 1.028 80 T HN 0.260 nan 8.240 nan 0.000 0.523 81 P HA -0.074 nan 4.420 nan 0.000 0.215 81 P C 1.584 178.934 177.300 0.084 0.000 1.153 81 P CA 1.033 64.188 63.100 0.092 0.000 0.853 81 P CB 0.054 31.790 31.700 0.060 0.000 0.788 82 K N -0.971 119.482 120.400 0.090 0.000 2.044 82 K HA -0.252 4.069 4.320 0.002 0.000 0.210 82 K C 2.245 178.887 176.600 0.070 0.000 1.049 82 K CA 1.641 57.970 56.287 0.069 0.000 0.927 82 K CB -0.780 31.765 32.500 0.075 0.000 0.713 82 K HN 0.058 nan 8.250 nan 0.000 0.443 83 Y N 1.425 121.733 120.300 0.014 0.000 2.128 83 Y HA -0.257 4.294 4.550 0.002 0.000 0.284 83 Y C 1.984 177.829 175.900 -0.091 0.000 1.154 83 Y CA 1.995 60.081 58.100 -0.023 0.000 1.149 83 Y CB -0.599 37.883 38.460 0.037 0.000 0.976 83 Y HN 0.012 nan 8.280 nan 0.000 0.505 84 V N -1.263 118.615 119.914 -0.060 0.000 2.407 84 V HA -0.203 3.918 4.120 0.002 0.000 0.248 84 V C 1.827 177.830 176.094 -0.153 0.000 1.055 84 V CA 2.373 64.588 62.300 -0.142 0.000 1.049 84 V CB -0.742 31.078 31.823 -0.004 0.000 0.662 84 V HN 0.323 nan 8.190 nan 0.000 0.455 85 D N 0.699 121.042 120.400 -0.094 0.000 2.117 85 D HA -0.018 4.623 4.640 0.002 0.000 0.198 85 D C 2.122 178.355 176.300 -0.113 0.000 0.982 85 D CA 1.923 55.875 54.000 -0.080 0.000 0.828 85 D CB -0.239 40.535 40.800 -0.042 0.000 0.967 85 D HN 0.536 nan 8.370 nan 0.000 0.464 86 I N 0.379 120.865 120.570 -0.140 0.000 2.315 86 I HA -0.216 3.955 4.170 0.002 0.000 0.248 86 I C 2.269 178.264 176.117 -0.203 0.000 1.117 86 I CA 0.357 61.566 61.300 -0.153 0.000 1.404 86 I CB -0.071 37.843 38.000 -0.142 0.000 1.071 86 I HN 0.011 nan 8.210 nan 0.000 0.419 87 L N 1.962 122.995 121.223 -0.317 0.000 2.012 87 L HA -0.245 4.096 4.340 0.002 0.000 0.210 87 L C 2.522 179.261 176.870 -0.218 0.000 1.073 87 L CA 2.209 56.853 54.840 -0.327 0.000 0.748 87 L CB -0.718 41.054 42.059 -0.479 0.000 0.891 87 L HN 0.271 nan 8.230 nan 0.000 0.431 88 K N -0.894 119.399 120.400 -0.178 0.000 2.217 88 K HA -0.088 4.233 4.320 0.002 0.000 0.202 88 K C 1.925 178.447 176.600 -0.130 0.000 1.051 88 K CA 1.882 58.085 56.287 -0.141 0.000 0.952 88 K CB -0.545 31.893 32.500 -0.102 0.000 0.736 88 K HN 0.432 nan 8.250 nan 0.000 0.453 89 I N 2.219 122.718 120.570 -0.118 0.000 2.193 89 I HA -0.214 3.957 4.170 0.002 0.000 0.240 89 I C 2.713 178.770 176.117 -0.100 0.000 1.084 89 I CA 1.391 62.635 61.300 -0.092 0.000 1.365 89 I CB -0.325 37.630 38.000 -0.076 0.000 1.064 89 I HN 0.264 nan 8.210 nan 0.000 0.410 90 R N 1.269 121.702 120.500 -0.113 0.000 2.189 90 R HA -0.106 4.235 4.340 0.002 0.000 0.223 90 R C 2.019 178.198 176.300 -0.201 0.000 1.092 90 R CA 0.986 57.037 56.100 -0.082 0.000 0.989 90 R CB -0.570 29.714 30.300 -0.027 0.000 0.876 90 R HN 0.292 nan 8.270 nan 0.000 0.457 91 R N 0.558 120.832 120.500 -0.378 0.000 2.285 91 R HA -0.060 4.281 4.340 0.002 0.000 0.213 91 R C 1.248 177.337 176.300 -0.351 0.000 1.068 91 R CA 1.019 56.688 56.100 -0.718 0.000 1.004 91 R CB 0.034 30.061 30.300 -0.454 0.000 0.873 91 R HN 0.259 nan 8.270 nan 0.000 0.467 92 E N 0.282 120.386 120.200 -0.160 0.000 2.371 92 E HA 0.044 4.395 4.350 0.002 0.000 0.194 92 E C -0.225 176.387 176.600 0.019 0.000 1.012 92 E CA 0.116 56.485 56.400 -0.052 0.000 0.860 92 E CB 0.219 29.898 29.700 -0.035 0.000 0.811 92 E HN 0.160 nan 8.360 nan 0.000 0.502 93 L N 1.537 122.797 121.223 0.061 0.000 2.490 93 L HA 0.033 4.374 4.340 0.002 0.000 0.274 93 L C -1.462 175.509 176.870 0.168 0.000 1.201 93 L CA -1.094 53.821 54.840 0.125 0.000 0.869 93 L CB 0.282 42.435 42.059 0.157 0.000 1.123 93 L HN 0.008 nan 8.230 nan 0.000 0.484 94 P HA -0.186 nan 4.420 nan 0.000 0.218 94 P C 1.657 179.045 177.300 0.147 0.000 1.146 94 P CA 0.809 63.970 63.100 0.102 0.000 0.820 94 P CB 0.198 31.935 31.700 0.062 0.000 0.778 95 V N -0.826 119.190 119.914 0.171 0.000 2.490 95 V HA -0.255 3.866 4.120 0.002 0.000 0.250 95 V C 2.333 178.581 176.094 0.255 0.000 1.061 95 V CA 1.690 64.110 62.300 0.200 0.000 1.064 95 V CB -1.235 30.633 31.823 0.075 0.000 0.670 95 V HN 0.303 nan 8.190 nan 0.000 0.461 96 H N -0.142 119.070 119.070 0.236 0.000 2.421 96 H HA -0.061 4.496 4.556 0.002 0.000 0.298 96 H C 2.293 177.681 175.328 0.100 0.000 1.087 96 H CA 1.457 57.629 56.048 0.207 0.000 1.330 96 H CB -0.019 29.833 29.762 0.149 0.000 1.388 96 H HN 0.480 nan 8.280 nan 0.000 0.526 97 A N 0.602 123.541 122.820 0.200 0.000 2.125 97 A HA -0.130 4.191 4.320 0.002 0.000 0.219 97 A C 1.826 179.471 177.584 0.101 0.000 1.156 97 A CA 1.132 53.240 52.037 0.118 0.000 0.671 97 A CB -0.066 18.986 19.000 0.087 0.000 0.794 97 A HN 0.435 nan 8.150 nan 0.000 0.459 98 Q N -1.814 118.067 119.800 0.134 0.000 2.135 98 Q HA 0.198 4.539 4.340 0.002 0.000 0.222 98 Q C 1.529 177.640 176.000 0.185 0.000 0.808 98 Q CA -0.285 55.605 55.803 0.145 0.000 1.049 98 Q CB 0.469 29.300 28.738 0.155 0.000 1.168 98 Q HN 0.672 nan 8.270 nan 0.000 0.483 99 R N 1.030 121.582 120.500 0.087 0.000 2.096 99 R HA -0.200 4.141 4.340 0.002 0.000 0.240 99 R C 1.048 177.382 176.300 0.056 0.000 1.139 99 R CA 2.028 58.089 56.100 -0.065 0.000 0.952 99 R CB 0.167 30.157 30.300 -0.517 0.000 0.854 99 R HN 0.189 nan 8.270 nan 0.000 0.436 100 D N -0.020 120.397 120.400 0.029 0.000 2.117 100 D HA -0.184 4.457 4.640 0.002 0.000 0.197 100 D C 1.692 178.043 176.300 0.085 0.000 0.987 100 D CA 1.219 55.246 54.000 0.044 0.000 0.829 100 D CB -0.158 40.657 40.800 0.023 0.000 0.961 100 D HN 0.442 nan 8.370 nan 0.000 0.460 101 E N -0.520 119.747 120.200 0.112 0.000 2.110 101 E HA -0.191 4.160 4.350 0.002 0.000 0.193 101 E C 2.041 178.744 176.600 0.173 0.000 0.988 101 E CA 0.560 57.029 56.400 0.116 0.000 0.804 101 E CB -0.174 29.590 29.700 0.107 0.000 0.745 101 E HN 0.236 nan 8.360 nan 0.000 0.458 102 F N 1.268 121.304 119.950 0.144 0.000 2.113 102 F HA -0.125 4.403 4.527 0.002 0.000 0.297 102 F C 1.878 177.795 175.800 0.195 0.000 1.103 102 F CA 1.253 59.391 58.000 0.229 0.000 1.248 102 F CB -0.338 38.867 39.000 0.341 0.000 0.999 102 F HN -0.025 nan 8.300 nan 0.000 0.475 103 L N 0.556 121.751 121.223 -0.047 0.000 2.012 103 L HA -0.280 4.061 4.340 0.002 0.000 0.210 103 L C 2.665 179.477 176.870 -0.097 0.000 1.073 103 L CA 2.041 56.806 54.840 -0.126 0.000 0.748 103 L CB -0.862 41.225 42.059 0.046 0.000 0.891 103 L HN 0.185 nan 8.230 nan 0.000 0.431 104 K N 0.106 120.482 120.400 -0.040 0.000 2.020 104 K HA -0.259 4.062 4.320 0.002 0.000 0.212 104 K C 2.149 178.706 176.600 -0.071 0.000 1.050 104 K CA 1.682 57.949 56.287 -0.033 0.000 0.929 104 K CB -0.156 32.343 32.500 -0.001 0.000 0.714 104 K HN 0.042 nan 8.250 nan 0.000 0.443 105 L N 0.395 121.572 121.223 -0.076 0.000 2.093 105 L HA -0.153 4.188 4.340 0.002 0.000 0.208 105 L C 2.187 178.982 176.870 -0.126 0.000 1.085 105 L CA 1.570 56.368 54.840 -0.071 0.000 0.755 105 L CB -0.779 41.279 42.059 -0.002 0.000 0.904 105 L HN 0.289 nan 8.230 nan 0.000 0.435 106 Y N 0.044 120.111 120.300 -0.388 0.000 2.181 106 Y HA -0.279 4.272 4.550 0.002 0.000 0.288 106 Y C 2.560 178.290 175.900 -0.285 0.000 1.146 106 Y CA 1.857 59.723 58.100 -0.389 0.000 1.164 106 Y CB -0.142 37.940 38.460 -0.629 0.000 0.982 106 Y HN 0.311 nan 8.280 nan 0.000 0.515 107 Q N -0.432 119.237 119.800 -0.218 0.000 2.167 107 Q HA -0.131 4.210 4.340 0.002 0.000 0.202 107 Q C 1.004 176.798 176.000 -0.343 0.000 0.970 107 Q CA 1.315 56.934 55.803 -0.307 0.000 0.855 107 Q CB 0.007 28.650 28.738 -0.158 0.000 0.911 107 Q HN 0.467 nan 8.270 nan 0.000 0.438 108 N N 0.168 118.725 118.700 -0.239 0.000 2.187 108 N HA 0.123 4.864 4.740 0.002 0.000 0.212 108 N C -0.732 174.677 175.510 -0.168 0.000 1.152 108 N CA 0.161 53.103 53.050 -0.179 0.000 0.872 108 N CB 0.668 39.092 38.487 -0.105 0.000 1.025 108 N HN 0.161 nan 8.380 nan 0.000 0.514 109 N N 0.257 118.826 118.700 -0.218 0.000 2.264 109 N HA 0.067 4.808 4.740 0.002 0.000 0.288 109 N C 0.355 175.730 175.510 -0.225 0.000 1.094 109 N CA -0.320 52.629 53.050 -0.170 0.000 0.817 109 N CB 2.529 40.955 38.487 -0.102 0.000 1.604 109 N HN -0.021 nan 8.380 nan 0.000 0.473 110 Q N 1.132 120.834 119.800 -0.164 0.000 2.212 110 Q HA 0.218 4.559 4.340 0.002 0.000 0.199 110 Q C -0.216 175.710 176.000 -0.123 0.000 0.950 110 Q CA 0.990 56.696 55.803 -0.161 0.000 0.863 110 Q CB 0.442 29.117 28.738 -0.106 0.000 0.944 110 Q HN 0.573 nan 8.270 nan 0.000 0.465 111 I N 1.746 122.262 120.570 -0.090 0.000 2.545 111 I HA 0.361 4.532 4.170 0.002 0.000 0.292 111 I C -0.592 175.495 176.117 -0.050 0.000 1.040 111 I CA -0.982 60.261 61.300 -0.094 0.000 1.068 111 I CB 2.046 39.974 38.000 -0.121 0.000 1.251 111 I HN 0.136 nan 8.210 nan 0.000 0.424 112 M N 5.819 125.407 119.600 -0.021 0.000 2.531 112 M HA 0.776 5.257 4.480 0.002 0.000 0.286 112 M C -1.270 175.087 176.300 0.095 0.000 1.232 112 M CA -0.928 54.408 55.300 0.060 0.000 0.877 112 M CB 2.484 35.155 32.600 0.118 0.000 1.726 112 M HN 0.289 nan 8.290 nan 0.000 0.463 113 V N -0.150 119.846 119.914 0.137 0.000 2.581 113 V HA 0.801 4.922 4.120 0.002 0.000 0.303 113 V C -1.679 174.537 176.094 0.204 0.000 1.041 113 V CA -0.378 62.018 62.300 0.161 0.000 0.907 113 V CB 1.717 33.638 31.823 0.163 0.000 0.994 113 V HN 0.862 nan 8.190 nan 0.000 0.442 114 F N 4.255 124.240 119.950 0.058 0.000 2.539 114 F HA 0.803 5.331 4.527 0.001 0.000 0.328 114 F C -0.746 175.058 175.800 0.006 0.000 1.148 114 F CA -0.561 57.475 58.000 0.060 0.000 0.940 114 F CB 1.917 40.965 39.000 0.080 0.000 1.194 114 F HN 0.546 nan 8.300 nan 0.000 0.438 115 V N 4.533 124.352 119.914 -0.159 0.000 2.604 115 V HA 0.977 5.098 4.120 0.002 0.000 0.305 115 V C -0.138 175.888 176.094 -0.115 0.000 1.043 115 V CA -0.519 61.737 62.300 -0.073 0.000 0.888 115 V CB 1.568 33.330 31.823 -0.103 0.000 0.995 115 V HN 1.013 nan 8.190 nan 0.000 0.429 116 G N 2.412 111.208 108.800 -0.006 0.000 2.655 116 G HA2 0.469 4.430 3.960 0.002 0.000 0.296 116 G HA3 0.469 4.430 3.960 0.002 0.000 0.296 116 G C -1.183 173.715 174.900 -0.003 0.000 1.485 116 G CA -0.741 44.359 45.100 -0.000 0.000 0.869 116 G HN 0.611 nan 8.290 nan 0.000 0.540 117 E N 0.484 120.672 120.200 -0.020 0.000 2.459 117 E HA 0.227 4.578 4.350 0.002 0.000 0.264 117 E C 1.066 177.666 176.600 -0.001 0.000 1.055 117 E CA 0.662 57.047 56.400 -0.025 0.000 0.957 117 E CB 0.606 30.294 29.700 -0.020 0.000 0.952 117 E HN 0.591 nan 8.360 nan 0.000 0.448 118 T N 0.107 114.659 114.554 -0.002 0.000 2.930 118 T HA 0.327 4.678 4.350 0.002 0.000 0.306 118 T C 1.062 175.782 174.700 0.034 0.000 1.045 118 T CA 0.269 62.385 62.100 0.026 0.000 1.134 118 T CB 0.718 69.613 68.868 0.045 0.000 0.961 118 T HN 0.710 nan 8.240 nan 0.000 0.545 119 G N 2.509 111.330 108.800 0.036 0.000 2.213 119 G HA2 -0.332 3.629 3.960 0.002 0.000 0.226 119 G HA3 -0.332 3.629 3.960 0.002 0.000 0.226 119 G C 1.148 176.066 174.900 0.030 0.000 0.992 119 G CA 0.759 45.880 45.100 0.035 0.000 0.632 119 G HN 1.736 nan 8.290 nan 0.000 0.511 120 S N 0.069 115.789 115.700 0.033 0.000 2.522 120 S HA 0.413 4.884 4.470 0.002 0.000 0.227 120 S C 2.063 176.688 174.600 0.041 0.000 0.986 120 S CA 1.531 59.757 58.200 0.044 0.000 0.929 120 S CB 0.216 63.449 63.200 0.055 0.000 0.769 120 S HN 2.408 nan 8.310 nan 0.000 0.529 121 G N 1.088 109.891 108.800 0.005 0.000 2.143 121 G HA2 -0.201 3.760 3.960 0.002 0.000 0.175 121 G HA3 -0.201 3.760 3.960 0.002 0.000 0.175 121 G C 0.657 175.467 174.900 -0.151 0.000 1.004 121 G CA 0.163 45.231 45.100 -0.053 0.000 0.671 121 G HN 0.461 nan 8.290 nan 0.000 0.512 122 K N -0.204 120.132 120.400 -0.107 0.000 1.991 122 K HA -0.087 4.234 4.320 0.002 0.000 0.212 122 K C 2.503 178.957 176.600 -0.244 0.000 1.049 122 K CA 2.031 58.190 56.287 -0.213 0.000 0.932 122 K CB -0.389 32.072 32.500 -0.065 0.000 0.717 122 K HN 0.298 nan 8.250 nan 0.000 0.441 123 T N 0.574 115.058 114.554 -0.117 0.000 2.857 123 T HA -0.111 4.240 4.350 0.002 0.000 0.266 123 T C 2.126 176.809 174.700 -0.030 0.000 1.048 123 T CA 1.813 63.888 62.100 -0.042 0.000 1.139 123 T CB -0.295 68.566 68.868 -0.012 0.000 0.874 123 T HN 0.519 nan 8.240 nan 0.000 0.455 124 T N 0.312 114.797 114.554 -0.115 0.000 2.852 124 T HA 0.001 4.352 4.350 0.002 0.000 0.256 124 T C 1.956 176.555 174.700 -0.169 0.000 1.038 124 T CA 0.426 62.459 62.100 -0.111 0.000 1.141 124 T CB -0.107 68.687 68.868 -0.124 0.000 0.869 124 T HN 0.125 nan 8.240 nan 0.000 0.439 125 Q N 0.751 120.348 119.800 -0.339 0.000 2.134 125 Q HA 0.215 4.556 4.340 0.002 0.000 0.195 125 Q C 2.614 177.984 176.000 -1.048 0.000 0.958 125 Q CA 0.580 55.987 55.803 -0.660 0.000 0.840 125 Q CB -0.459 27.792 28.738 -0.812 0.000 0.918 125 Q HN 0.415 nan 8.270 nan 0.000 0.467 126 I N 1.664 121.639 120.570 -0.993 0.000 2.151 126 I HA -0.211 3.960 4.170 0.002 0.000 0.243 126 I C -0.578 175.194 176.117 -0.576 0.000 1.080 126 I CA 1.431 62.105 61.300 -1.043 0.000 1.339 126 I CB -2.475 34.891 38.000 -1.057 0.000 1.039 126 I HN 0.092 nan 8.210 nan 0.000 0.409 127 P HA -0.139 nan 4.420 nan 0.000 0.220 127 P C 1.757 178.976 177.300 -0.135 0.000 1.148 127 P CA 1.293 64.257 63.100 -0.226 0.000 0.803 127 P CB -0.066 31.495 31.700 -0.232 0.000 0.782 128 Q N -1.917 117.809 119.800 -0.122 0.000 2.123 128 Q HA -0.106 4.235 4.340 0.002 0.000 0.199 128 Q C 1.760 177.981 176.000 0.368 0.000 0.966 128 Q CA 1.073 56.920 55.803 0.074 0.000 0.845 128 Q CB -0.446 28.369 28.738 0.129 0.000 0.907 128 Q HN 0.205 nan 8.270 nan 0.000 0.439 129 F N -0.035 119.964 119.950 0.082 0.000 2.171 129 F HA -0.172 4.355 4.527 0.001 0.000 0.300 129 F C 2.238 178.159 175.800 0.202 0.000 1.090 129 F CA 0.500 58.597 58.000 0.163 0.000 1.293 129 F CB -1.006 37.990 39.000 -0.007 0.000 1.013 129 F HN -0.102 nan 8.300 nan 0.000 0.486 130 V N 0.236 120.288 119.914 0.230 0.000 2.427 130 V HA -0.254 3.867 4.120 0.002 0.000 0.248 130 V C 2.543 178.697 176.094 0.100 0.000 1.051 130 V CA 1.151 63.460 62.300 0.015 0.000 1.048 130 V CB -0.691 31.048 31.823 -0.141 0.000 0.666 130 V HN 0.265 nan 8.190 nan 0.000 0.456 131 L N -1.355 119.934 121.223 0.109 0.000 2.079 131 L HA -0.192 4.149 4.340 0.002 0.000 0.210 131 L C 2.448 179.414 176.870 0.160 0.000 1.081 131 L CA 1.781 56.669 54.840 0.080 0.000 0.752 131 L CB -0.707 41.294 42.059 -0.097 0.000 0.896 131 L HN 0.271 nan 8.230 nan 0.000 0.433 132 F N 0.384 120.553 119.950 0.364 0.000 2.113 132 F HA -0.211 4.317 4.527 0.002 0.000 0.297 132 F C 2.351 178.282 175.800 0.219 0.000 1.103 132 F CA 1.826 60.046 58.000 0.368 0.000 1.248 132 F CB -0.417 38.804 39.000 0.368 0.000 0.999 132 F HN 0.120 nan 8.300 nan 0.000 0.475 133 D N -0.656 119.959 120.400 0.359 0.000 2.234 133 D HA -0.152 4.489 4.640 0.002 0.000 0.205 133 D C 1.934 178.340 176.300 0.177 0.000 0.962 133 D CA 0.829 54.986 54.000 0.261 0.000 0.855 133 D CB 0.131 41.097 40.800 0.276 0.000 0.951 133 D HN 0.177 nan 8.370 nan 0.000 0.500 134 E N -0.415 119.878 120.200 0.155 0.000 2.389 134 E HA 0.140 4.491 4.350 0.002 0.000 0.199 134 E C 0.513 177.082 176.600 -0.051 0.000 0.978 134 E CA 0.110 56.561 56.400 0.086 0.000 0.912 134 E CB -0.116 29.713 29.700 0.215 0.000 0.907 134 E HN 0.164 nan 8.360 nan 0.000 0.494 135 M N 1.315 120.873 119.600 -0.069 0.000 2.140 135 M HA -0.194 4.287 4.480 0.002 0.000 0.191 135 M C -1.855 174.342 176.300 -0.172 0.000 0.454 135 M CA 0.337 55.504 55.300 -0.223 0.000 0.403 135 M CB -0.751 31.539 32.600 -0.516 0.000 1.031 135 M HN 0.189 nan 8.290 nan 0.000 0.937 136 P HA -0.238 nan 4.420 nan 0.000 0.216 136 P C 1.200 178.465 177.300 -0.059 0.000 1.150 136 P CA 2.170 65.267 63.100 -0.005 0.000 0.843 136 P CB -0.469 31.265 31.700 0.056 0.000 0.787 137 H N -0.021 118.954 119.070 -0.159 0.000 2.421 137 H HA 0.003 4.560 4.556 0.002 0.000 0.298 137 H C 1.933 176.935 175.328 -0.543 0.000 1.087 137 H CA 0.747 56.662 56.048 -0.221 0.000 1.330 137 H CB -1.475 28.252 29.762 -0.058 0.000 1.388 137 H HN 0.174 nan 8.280 nan 0.000 0.526 138 L N 1.156 121.803 121.223 -0.960 0.000 2.395 138 L HA -0.034 4.307 4.340 0.002 0.000 0.218 138 L C 1.825 178.418 176.870 -0.463 0.000 1.130 138 L CA 1.281 55.632 54.840 -0.815 0.000 0.826 138 L CB -0.186 41.479 42.059 -0.656 0.000 0.941 138 L HN 0.435 nan 8.230 nan 0.000 0.451 139 E N -1.092 118.903 120.200 -0.340 0.000 2.558 139 E HA 0.015 4.366 4.350 0.002 0.000 0.205 139 E C -0.022 176.492 176.600 -0.142 0.000 1.006 139 E CA -0.197 56.088 56.400 -0.191 0.000 0.961 139 E CB -0.035 29.580 29.700 -0.142 0.000 1.044 139 E HN 0.237 nan 8.360 nan 0.000 0.465 140 N N 0.687 119.282 118.700 -0.175 0.000 2.758 140 N HA -0.154 4.587 4.740 0.002 0.000 0.248 140 N C -1.182 174.283 175.510 -0.075 0.000 1.076 140 N CA 1.415 54.411 53.050 -0.090 0.000 0.696 140 N CB -1.287 37.172 38.487 -0.046 0.000 0.979 140 N HN 0.658 nan 8.380 nan 0.000 0.550 141 T N -3.946 110.562 114.554 -0.077 0.000 2.804 141 T HA 0.731 5.082 4.350 0.002 0.000 0.290 141 T C -0.371 174.295 174.700 -0.056 0.000 1.099 141 T CA -0.881 61.173 62.100 -0.077 0.000 1.011 141 T CB 2.226 71.069 68.868 -0.042 0.000 1.291 141 T HN 0.150 nan 8.240 nan 0.000 0.523 142 Q N -0.492 119.264 119.800 -0.073 0.000 2.552 142 Q HA 0.725 5.066 4.340 0.002 0.000 0.289 142 Q C -1.247 174.857 176.000 0.174 0.000 1.097 142 Q CA -1.280 54.530 55.803 0.011 0.000 0.812 142 Q CB 2.650 31.358 28.738 -0.050 0.000 1.460 142 Q HN 0.731 nan 8.270 nan 0.000 0.452 143 V N -1.170 118.839 119.914 0.159 0.000 2.495 143 V HA 0.914 5.035 4.120 0.002 0.000 0.298 143 V C -1.167 174.963 176.094 0.061 0.000 1.031 143 V CA -0.460 61.930 62.300 0.150 0.000 0.871 143 V CB 1.131 32.975 31.823 0.034 0.000 0.988 143 V HN 0.832 nan 8.190 nan 0.000 0.432 144 A N 5.095 127.862 122.820 -0.087 0.000 2.306 144 A HA 0.776 5.096 4.320 0.002 0.000 0.314 144 A C -0.196 177.235 177.584 -0.255 0.000 1.164 144 A CA -0.192 51.664 52.037 -0.302 0.000 0.822 144 A CB 1.086 19.625 19.000 -0.769 0.000 1.130 144 A HN 1.764 nan 8.150 nan 0.000 0.496 145 C N 1.947 121.086 119.300 -0.268 0.000 2.381 145 C HA 0.717 5.178 4.460 0.002 0.000 0.328 145 C C 0.190 175.149 174.990 -0.052 0.000 1.190 145 C CA -0.144 58.753 59.018 -0.203 0.000 1.369 145 C CB 0.107 27.623 27.740 -0.374 0.000 2.029 145 C HN 0.925 nan 8.230 nan 0.000 0.448 146 T N 5.433 119.975 114.554 -0.021 0.000 2.795 146 T HA 0.539 4.890 4.350 0.002 0.000 0.282 146 T C -0.710 174.019 174.700 0.048 0.000 0.980 146 T CA -0.126 61.982 62.100 0.013 0.000 1.012 146 T CB 0.664 69.528 68.868 -0.008 0.000 0.936 146 T HN 0.821 nan 8.240 nan 0.000 0.457 147 Q N 4.508 124.343 119.800 0.058 0.000 2.353 147 Q HA 0.310 4.651 4.340 0.002 0.000 0.268 147 Q C -2.019 174.000 176.000 0.031 0.000 1.045 147 Q CA -2.282 53.550 55.803 0.048 0.000 0.811 147 Q CB 1.855 30.626 28.738 0.056 0.000 1.305 147 Q HN 0.360 nan 8.270 nan 0.000 0.447 148 P HA -0.065 nan 4.420 nan 0.000 0.220 148 P C -0.306 177.008 177.300 0.022 0.000 1.148 148 P CA 1.179 64.287 63.100 0.014 0.000 0.803 148 P CB 0.439 32.134 31.700 -0.009 0.000 0.782 149 R N -0.635 119.879 120.500 0.023 0.000 2.387 149 R HA 0.322 4.663 4.340 0.002 0.000 0.314 149 R C 1.396 177.704 176.300 0.013 0.000 0.958 149 R CA -0.638 55.478 56.100 0.026 0.000 0.846 149 R CB 1.227 31.547 30.300 0.033 0.000 1.147 149 R HN -0.105 nan 8.270 nan 0.000 0.447 150 R N 2.138 122.646 120.500 0.014 0.000 2.113 150 R HA -0.184 4.157 4.340 0.002 0.000 0.244 150 R C 1.213 177.480 176.300 -0.055 0.000 1.142 150 R CA 1.974 58.067 56.100 -0.010 0.000 0.953 150 R CB -0.143 30.163 30.300 0.010 0.000 0.860 150 R HN 0.475 nan 8.270 nan 0.000 0.438 151 V N 0.901 120.793 119.914 -0.035 0.000 2.427 151 V HA -0.203 3.918 4.120 0.002 0.000 0.248 151 V C 2.490 178.548 176.094 -0.059 0.000 1.051 151 V CA 1.807 64.073 62.300 -0.057 0.000 1.048 151 V CB -0.623 31.179 31.823 -0.035 0.000 0.666 151 V HN 0.578 nan 8.190 nan 0.000 0.456 152 A N 0.056 122.857 122.820 -0.032 0.000 1.873 152 A HA -0.088 4.233 4.320 0.002 0.000 0.215 152 A C 2.449 179.984 177.584 -0.082 0.000 1.186 152 A CA 1.985 54.003 52.037 -0.032 0.000 0.616 152 A CB -0.806 18.194 19.000 0.001 0.000 0.823 152 A HN 0.547 nan 8.150 nan 0.000 0.442 153 A N -0.413 122.369 122.820 -0.063 0.000 1.883 153 A HA -0.158 4.163 4.320 0.002 0.000 0.217 153 A C 2.297 179.778 177.584 -0.172 0.000 1.186 153 A CA 1.987 53.991 52.037 -0.054 0.000 0.624 153 A CB -0.567 18.442 19.000 0.016 0.000 0.822 153 A HN 0.547 nan 8.150 nan 0.000 0.444 154 M N 0.080 119.495 119.600 -0.309 0.000 2.099 154 M HA -0.129 4.352 4.480 0.002 0.000 0.262 154 M C 2.572 178.708 176.300 -0.274 0.000 1.067 154 M CA 1.895 56.853 55.300 -0.571 0.000 1.124 154 M CB -0.427 31.793 32.600 -0.634 0.000 1.353 154 M HN 0.625 nan 8.290 nan 0.000 0.410 155 S N -0.380 115.221 115.700 -0.166 0.000 2.383 155 S HA -0.083 4.388 4.470 0.002 0.000 0.227 155 S C 1.896 176.395 174.600 -0.167 0.000 1.026 155 S CA 1.114 59.264 58.200 -0.084 0.000 0.981 155 S CB -0.843 62.396 63.200 0.065 0.000 0.818 155 S HN 0.316 nan 8.310 nan 0.000 0.472 156 V N 1.819 121.591 119.914 -0.237 0.000 2.453 156 V HA 0.075 4.196 4.120 0.002 0.000 0.247 156 V C 2.907 178.702 176.094 -0.499 0.000 1.048 156 V CA 1.502 63.572 62.300 -0.384 0.000 1.049 156 V CB -0.933 30.615 31.823 -0.459 0.000 0.672 156 V HN 0.638 nan 8.190 nan 0.000 0.457 157 A N -0.598 121.973 122.820 -0.416 0.000 1.902 157 A HA -0.287 4.034 4.320 0.002 0.000 0.217 157 A C 2.094 179.659 177.584 -0.033 0.000 1.181 157 A CA 2.133 54.069 52.037 -0.170 0.000 0.623 157 A CB -0.614 18.501 19.000 0.193 0.000 0.818 157 A HN 0.618 nan 8.150 nan 0.000 0.443 158 Q N 0.054 119.840 119.800 -0.023 0.000 2.061 158 Q HA -0.225 4.116 4.340 0.002 0.000 0.204 158 Q C 2.144 178.102 176.000 -0.070 0.000 0.984 158 Q CA 2.380 58.180 55.803 -0.006 0.000 0.846 158 Q CB -0.310 28.427 28.738 -0.002 0.000 0.902 158 Q HN 0.544 nan 8.270 nan 0.000 0.421 159 R N -0.593 119.812 120.500 -0.158 0.000 2.073 159 R HA -0.050 4.291 4.340 0.002 0.000 0.234 159 R C 2.034 178.265 176.300 -0.116 0.000 1.134 159 R CA 1.906 57.895 56.100 -0.186 0.000 0.952 159 R CB -0.916 29.213 30.300 -0.285 0.000 0.850 159 R HN 0.245 nan 8.270 nan 0.000 0.433 160 V N 1.129 120.972 119.914 -0.118 0.000 2.515 160 V HA -0.133 3.988 4.120 0.002 0.000 0.250 160 V C 2.383 178.494 176.094 0.028 0.000 1.058 160 V CA 1.675 63.956 62.300 -0.032 0.000 1.064 160 V CB -0.938 30.901 31.823 0.025 0.000 0.675 160 V HN 0.545 nan 8.190 nan 0.000 0.461 161 A N -0.025 122.813 122.820 0.029 0.000 1.908 161 A HA -0.274 4.047 4.320 0.002 0.000 0.218 161 A C 2.179 179.800 177.584 0.062 0.000 1.181 161 A CA 2.056 54.121 52.037 0.047 0.000 0.627 161 A CB -0.445 18.582 19.000 0.046 0.000 0.818 161 A HN 0.638 nan 8.150 nan 0.000 0.445 162 E N -0.314 119.909 120.200 0.038 0.000 2.077 162 E HA -0.190 4.161 4.350 0.002 0.000 0.193 162 E C 1.918 178.572 176.600 0.090 0.000 0.989 162 E CA 1.274 57.706 56.400 0.053 0.000 0.800 162 E CB -0.220 29.480 29.700 0.000 0.000 0.746 162 E HN 0.737 nan 8.360 nan 0.000 0.452 163 E N 0.076 120.308 120.200 0.053 0.000 2.268 163 E HA -0.086 4.265 4.350 0.002 0.000 0.195 163 E C 1.605 178.326 176.600 0.201 0.000 0.995 163 E CA 0.700 57.132 56.400 0.053 0.000 0.836 163 E CB 0.054 29.761 29.700 0.011 0.000 0.763 163 E HN 0.287 nan 8.360 nan 0.000 0.491 164 M N 0.245 119.986 119.600 0.235 0.000 2.383 164 M HA 0.037 4.518 4.480 0.002 0.000 0.247 164 M C -0.271 176.261 176.300 0.387 0.000 1.117 164 M CA -0.007 55.491 55.300 0.330 0.000 0.995 164 M CB 0.500 33.168 32.600 0.115 0.000 1.480 164 M HN -0.155 nan 8.290 nan 0.000 0.485 165 D N 1.863 122.486 120.400 0.372 0.000 2.689 165 D HA -0.120 4.521 4.640 0.002 0.000 0.237 165 D C -0.620 175.763 176.300 0.138 0.000 1.148 165 D CA 0.539 54.709 54.000 0.284 0.000 0.656 165 D CB -0.506 40.497 40.800 0.339 0.000 1.050 165 D HN 0.340 nan 8.370 nan 0.000 0.426 166 V N -2.885 117.089 119.914 0.100 0.000 3.126 166 V HA 0.633 4.754 4.120 0.002 0.000 0.314 166 V C 0.171 176.286 176.094 0.036 0.000 1.138 166 V CA -1.127 61.199 62.300 0.043 0.000 1.034 166 V CB 2.092 33.925 31.823 0.017 0.000 1.075 166 V HN 0.117 nan 8.190 nan 0.000 0.442 167 K N 1.509 121.921 120.400 0.018 0.000 2.249 167 K HA 0.492 4.812 4.320 0.002 0.000 0.280 167 K C -0.538 176.072 176.600 0.017 0.000 1.033 167 K CA -0.726 55.572 56.287 0.019 0.000 0.946 167 K CB 1.255 33.761 32.500 0.010 0.000 1.005 167 K HN 0.792 nan 8.250 nan 0.000 0.469 168 L N 4.370 125.609 121.223 0.026 0.000 2.499 168 L HA 0.162 4.503 4.340 0.002 0.000 0.273 168 L C 0.996 177.859 176.870 -0.012 0.000 1.195 168 L CA 2.030 56.886 54.840 0.028 0.000 0.882 168 L CB 0.400 42.497 42.059 0.063 0.000 1.133 168 L HN 0.993 nan 8.230 nan 0.000 0.483 169 G N 2.511 111.284 108.800 -0.044 0.000 2.234 169 G HA2 -0.224 3.737 3.960 0.002 0.000 0.235 169 G HA3 -0.224 3.737 3.960 0.002 0.000 0.235 169 G C 0.679 175.552 174.900 -0.045 0.000 0.997 169 G CA 0.379 45.430 45.100 -0.082 0.000 0.623 169 G HN 0.624 nan 8.290 nan 0.000 0.514 170 E N 0.018 120.204 120.200 -0.022 0.000 3.388 170 E HA 0.330 4.681 4.350 0.002 0.000 0.390 170 E C 1.781 178.371 176.600 -0.015 0.000 0.432 170 E CA 0.150 56.541 56.400 -0.014 0.000 2.109 170 E CB 0.065 29.760 29.700 -0.007 0.000 2.195 170 E HN 0.164 nan 8.360 nan 0.000 0.488 171 E N 0.452 120.640 120.200 -0.020 0.000 2.118 171 E HA -0.066 4.285 4.350 0.002 0.000 0.195 171 E C 0.080 176.644 176.600 -0.060 0.000 0.992 171 E CA 0.632 57.002 56.400 -0.050 0.000 0.804 171 E CB 0.112 29.764 29.700 -0.080 0.000 0.741 171 E HN -0.045 nan 8.360 nan 0.000 0.458 172 V N 0.100 119.999 119.914 -0.024 0.000 2.459 172 V HA 0.710 4.831 4.120 0.002 0.000 0.295 172 V C 0.387 176.511 176.094 0.050 0.000 1.029 172 V CA -0.214 62.102 62.300 0.025 0.000 0.874 172 V CB 1.486 33.350 31.823 0.067 0.000 0.985 172 V HN 0.219 nan 8.190 nan 0.000 0.438 173 G N 3.193 112.040 108.800 0.079 0.000 2.766 173 G HA2 0.769 4.730 3.960 0.002 0.000 0.288 173 G HA3 0.769 4.730 3.960 0.002 0.000 0.288 173 G C -1.790 173.203 174.900 0.155 0.000 1.408 173 G CA -0.624 44.496 45.100 0.033 0.000 0.852 173 G HN 0.777 nan 8.290 nan 0.000 0.487 174 Y N -1.532 118.831 120.300 0.104 0.000 2.545 174 Y HA 0.844 5.395 4.550 0.002 0.000 0.348 174 Y C -0.410 175.543 175.900 0.088 0.000 1.002 174 Y CA -1.960 56.209 58.100 0.115 0.000 1.039 174 Y CB 2.071 40.593 38.460 0.104 0.000 1.271 174 Y HN 0.625 nan 8.280 nan 0.000 0.467 175 S N 3.745 119.647 115.700 0.337 0.000 2.647 175 S HA 0.808 5.279 4.470 0.002 0.000 0.300 175 S C -1.536 173.202 174.600 0.231 0.000 1.129 175 S CA -0.541 57.798 58.200 0.232 0.000 1.029 175 S CB 0.108 63.388 63.200 0.133 0.000 1.007 175 S HN 0.593 nan 8.310 nan 0.000 0.484 176 I N 3.273 123.983 120.570 0.232 0.000 2.892 176 I HA 0.509 4.679 4.170 0.002 0.000 0.306 176 I C 0.456 176.617 176.117 0.074 0.000 1.078 176 I CA -1.092 60.292 61.300 0.141 0.000 1.032 176 I CB 1.689 39.779 38.000 0.151 0.000 1.229 176 I HN 0.739 nan 8.210 nan 0.000 0.435 177 R N 3.024 123.513 120.500 -0.018 0.000 2.480 177 R HA 0.031 4.372 4.340 0.002 0.000 0.303 177 R C -0.465 175.760 176.300 -0.126 0.000 0.985 177 R CA 0.424 56.393 56.100 -0.218 0.000 1.051 177 R CB -0.122 29.987 30.300 -0.318 0.000 0.935 177 R HN 0.549 nan 8.270 nan 0.000 0.410 178 F N 0.963 120.967 119.950 0.091 0.000 2.705 178 F HA -0.271 4.257 4.527 0.001 0.000 0.413 178 F C -0.375 175.485 175.800 0.100 0.000 0.588 178 F CA 1.440 59.493 58.000 0.088 0.000 1.187 178 F CB -1.298 37.751 39.000 0.082 0.000 1.737 178 F HN 0.702 nan 8.300 nan 0.000 0.285 179 E N 0.636 120.992 120.200 0.259 0.000 2.580 179 E HA 0.233 4.584 4.350 0.002 0.000 0.248 179 E C -0.388 176.355 176.600 0.237 0.000 1.018 179 E CA -0.516 56.037 56.400 0.254 0.000 0.775 179 E CB 1.090 30.964 29.700 0.290 0.000 1.378 179 E HN 0.210 nan 8.360 nan 0.000 0.401 180 N N 2.787 121.568 118.700 0.134 0.000 2.456 180 N HA 0.197 4.938 4.740 0.002 0.000 0.288 180 N C -0.695 174.749 175.510 -0.110 0.000 1.059 180 N CA -0.450 52.623 53.050 0.038 0.000 0.946 180 N CB 1.253 39.759 38.487 0.031 0.000 1.150 180 N HN 0.131 nan 8.380 nan 0.000 0.479 181 K N 2.078 122.272 120.400 -0.344 0.000 3.029 181 K HA 0.234 4.555 4.320 0.002 0.000 0.169 181 K C -1.253 175.146 176.600 -0.334 0.000 1.090 181 K CA -0.435 55.554 56.287 -0.497 0.000 0.883 181 K CB -0.097 31.686 32.500 -1.196 0.000 1.080 181 K HN 0.727 nan 8.250 nan 0.000 0.613 182 T N -2.482 111.978 114.554 -0.157 0.000 2.804 182 T HA 0.857 5.208 4.350 0.002 0.000 0.290 182 T C -0.391 174.278 174.700 -0.051 0.000 1.099 182 T CA -0.434 61.617 62.100 -0.083 0.000 1.011 182 T CB 1.640 70.487 68.868 -0.035 0.000 1.291 182 T HN 0.281 nan 8.240 nan 0.000 0.523 183 S N -0.319 115.363 115.700 -0.030 0.000 2.703 183 S HA 0.357 4.827 4.470 0.002 0.000 0.273 183 S C 0.371 174.965 174.600 -0.010 0.000 1.178 183 S CA -0.255 57.933 58.200 -0.019 0.000 0.838 183 S CB 0.612 63.801 63.200 -0.018 0.000 1.178 183 S HN 0.939 nan 8.310 nan 0.000 0.494 184 N N 0.828 119.526 118.700 -0.004 0.000 2.519 184 N HA -0.072 4.669 4.740 0.002 0.000 0.186 184 N C 0.794 176.315 175.510 0.018 0.000 1.062 184 N CA 0.875 53.927 53.050 0.003 0.000 0.910 184 N CB -0.522 37.968 38.487 0.005 0.000 0.958 184 N HN 0.647 nan 8.380 nan 0.000 0.445 185 K N -0.014 120.396 120.400 0.017 0.000 2.393 185 K HA 0.025 4.346 4.320 0.002 0.000 0.193 185 K C 0.415 177.027 176.600 0.021 0.000 1.026 185 K CA 0.354 56.660 56.287 0.032 0.000 1.064 185 K CB 0.118 32.634 32.500 0.026 0.000 0.833 185 K HN 0.386 nan 8.250 nan 0.000 0.521 186 T N -0.849 113.707 114.554 0.003 0.000 2.834 186 T HA 0.240 4.591 4.350 0.002 0.000 0.298 186 T C 1.142 175.835 174.700 -0.012 0.000 0.966 186 T CA -0.291 61.803 62.100 -0.009 0.000 1.141 186 T CB 0.531 69.394 68.868 -0.008 0.000 0.905 186 T HN -0.002 nan 8.240 nan 0.000 0.535 187 I N 2.242 122.788 120.570 -0.039 0.000 2.947 187 I HA 0.270 4.440 4.170 0.002 0.000 0.263 187 I C 0.482 176.563 176.117 -0.060 0.000 1.130 187 I CA -0.119 61.150 61.300 -0.051 0.000 1.448 187 I CB 0.117 38.041 38.000 -0.126 0.000 1.222 187 I HN 0.438 nan 8.210 nan 0.000 0.453 188 L N 1.996 123.160 121.223 -0.099 0.000 2.305 188 L HA 0.425 4.766 4.340 0.002 0.000 0.284 188 L C -0.378 176.432 176.870 -0.100 0.000 1.013 188 L CA -0.245 54.513 54.840 -0.138 0.000 0.819 188 L CB 0.862 42.800 42.059 -0.201 0.000 1.227 188 L HN -0.024 nan 8.230 nan 0.000 0.417 189 K N 4.708 125.043 120.400 -0.109 0.000 2.507 189 K HA 0.393 4.714 4.320 0.002 0.000 0.253 189 K C -1.565 174.980 176.600 -0.093 0.000 0.969 189 K CA -0.460 55.821 56.287 -0.009 0.000 0.908 189 K CB 0.565 33.136 32.500 0.118 0.000 1.127 189 K HN 0.539 nan 8.250 nan 0.000 0.437 190 Y N 4.794 125.134 120.300 0.066 0.000 2.299 190 Y HA 0.348 4.899 4.550 0.002 0.000 0.326 190 Y C 0.554 176.509 175.900 0.091 0.000 1.164 190 Y CA -0.186 57.947 58.100 0.054 0.000 1.234 190 Y CB 1.159 39.649 38.460 0.051 0.000 1.219 190 Y HN 0.464 nan 8.280 nan 0.000 0.497 191 M N -0.003 119.714 119.600 0.194 0.000 2.643 191 M HA 0.462 4.943 4.480 0.002 0.000 0.276 191 M C -1.028 175.325 176.300 0.089 0.000 1.200 191 M CA -1.059 54.324 55.300 0.139 0.000 0.863 191 M CB 1.815 34.471 32.600 0.093 0.000 1.711 191 M HN 0.525 nan 8.290 nan 0.000 0.492 192 T N -1.698 112.898 114.554 0.071 0.000 2.860 192 T HA 0.191 4.542 4.350 0.002 0.000 0.299 192 T C 0.661 175.380 174.700 0.033 0.000 1.045 192 T CA 0.343 62.471 62.100 0.046 0.000 1.071 192 T CB 0.406 69.296 68.868 0.036 0.000 0.985 192 T HN 0.763 nan 8.240 nan 0.000 0.537 193 D N 1.466 121.883 120.400 0.029 0.000 2.178 193 D HA -0.036 4.605 4.640 0.002 0.000 0.201 193 D C 2.219 178.534 176.300 0.025 0.000 0.980 193 D CA 1.355 55.371 54.000 0.027 0.000 0.842 193 D CB -1.174 39.648 40.800 0.037 0.000 0.948 193 D HN 0.721 nan 8.370 nan 0.000 0.472 194 G N 0.298 109.111 108.800 0.021 0.000 2.469 194 G HA2 -0.262 3.699 3.960 0.002 0.000 0.219 194 G HA3 -0.262 3.699 3.960 0.002 0.000 0.219 194 G C 1.554 176.458 174.900 0.008 0.000 1.150 194 G CA 1.194 46.302 45.100 0.012 0.000 0.763 194 G HN 0.115 nan 8.290 nan 0.000 0.561 195 M N -0.316 119.291 119.600 0.012 0.000 2.156 195 M HA 0.135 4.616 4.480 0.002 0.000 0.264 195 M C 2.467 178.785 176.300 0.029 0.000 1.067 195 M CA 0.656 55.966 55.300 0.016 0.000 1.131 195 M CB -1.098 31.521 32.600 0.032 0.000 1.368 195 M HN 0.271 nan 8.290 nan 0.000 0.416 196 L N 0.508 121.742 121.223 0.018 0.000 2.083 196 L HA -0.136 4.205 4.340 0.002 0.000 0.209 196 L C 2.208 179.097 176.870 0.032 0.000 1.083 196 L CA 1.442 56.286 54.840 0.006 0.000 0.752 196 L CB -0.820 41.205 42.059 -0.057 0.000 0.899 196 L HN 0.221 nan 8.230 nan 0.000 0.433 197 L N -0.722 120.519 121.223 0.031 0.000 2.012 197 L HA -0.284 4.057 4.340 0.002 0.000 0.210 197 L C 2.768 179.663 176.870 0.042 0.000 1.073 197 L CA 1.679 56.541 54.840 0.038 0.000 0.748 197 L CB -0.291 41.785 42.059 0.030 0.000 0.891 197 L HN 0.343 nan 8.230 nan 0.000 0.431 198 R N -0.412 120.107 120.500 0.033 0.000 2.096 198 R HA -0.174 4.167 4.340 0.002 0.000 0.235 198 R C 2.014 178.348 176.300 0.058 0.000 1.127 198 R CA 1.379 57.499 56.100 0.033 0.000 0.968 198 R CB -0.259 30.047 30.300 0.010 0.000 0.861 198 R HN 0.537 nan 8.270 nan 0.000 0.440 199 E N 0.637 120.882 120.200 0.075 0.000 2.110 199 E HA -0.169 4.182 4.350 0.002 0.000 0.193 199 E C 2.032 178.705 176.600 0.122 0.000 0.988 199 E CA 1.152 57.616 56.400 0.107 0.000 0.804 199 E CB -0.076 29.719 29.700 0.158 0.000 0.745 199 E HN 0.351 nan 8.360 nan 0.000 0.458 200 A N 0.949 123.841 122.820 0.121 0.000 1.969 200 A HA -0.166 4.155 4.320 0.002 0.000 0.218 200 A C 2.112 179.821 177.584 0.209 0.000 1.169 200 A CA 1.174 53.302 52.037 0.152 0.000 0.635 200 A CB -0.426 18.642 19.000 0.114 0.000 0.810 200 A HN 0.143 nan 8.150 nan 0.000 0.445 201 M N -0.825 118.863 119.600 0.146 0.000 2.202 201 M HA -0.137 4.344 4.480 0.002 0.000 0.262 201 M C 1.825 178.243 176.300 0.197 0.000 1.063 201 M CA 1.251 56.650 55.300 0.166 0.000 1.097 201 M CB -0.172 32.476 32.600 0.080 0.000 1.382 201 M HN 0.315 nan 8.290 nan 0.000 0.413 202 E N -0.252 120.020 120.200 0.120 0.000 2.190 202 E HA -0.021 4.330 4.350 0.002 0.000 0.191 202 E C -0.065 176.530 176.600 -0.008 0.000 0.978 202 E CA 0.782 57.213 56.400 0.053 0.000 0.839 202 E CB 0.183 29.912 29.700 0.049 0.000 0.787 202 E HN 0.279 nan 8.360 nan 0.000 0.473 203 D N -0.414 120.016 120.400 0.051 0.000 2.389 203 D HA 0.078 4.719 4.640 0.002 0.000 0.256 203 D C 0.380 176.760 176.300 0.134 0.000 1.239 203 D CA -0.354 53.654 54.000 0.014 0.000 0.925 203 D CB 0.280 41.103 40.800 0.038 0.000 1.145 203 D HN -0.147 nan 8.370 nan 0.000 0.542 204 H N 1.605 120.705 119.070 0.049 0.000 2.489 204 H HA -0.016 4.541 4.556 0.001 0.000 0.295 204 H C 0.489 175.853 175.328 0.060 0.000 1.082 204 H CA 0.862 56.942 56.048 0.053 0.000 1.295 204 H CB 0.259 30.047 29.762 0.044 0.000 1.380 204 H HN 0.432 nan 8.280 nan 0.000 0.548 205 D N -0.002 120.496 120.400 0.164 0.000 2.369 205 D HA 0.081 4.722 4.640 0.002 0.000 0.211 205 D C 0.855 177.230 176.300 0.126 0.000 1.077 205 D CA -0.129 53.944 54.000 0.121 0.000 0.842 205 D CB 0.268 41.118 40.800 0.082 0.000 0.947 205 D HN 0.169 nan 8.370 nan 0.000 0.509 206 L N 1.346 122.658 121.223 0.150 0.000 3.742 206 L HA -0.285 4.056 4.340 0.002 0.000 0.431 206 L C 1.618 178.598 176.870 0.184 0.000 1.220 206 L CA 0.262 55.230 54.840 0.213 0.000 0.863 206 L CB -1.926 40.283 42.059 0.250 0.000 1.751 206 L HN 0.064 nan 8.230 nan 0.000 0.922 207 S N -0.923 114.829 115.700 0.087 0.000 2.465 207 S HA -0.230 4.241 4.470 0.002 0.000 0.241 207 S C 1.707 176.294 174.600 -0.023 0.000 1.000 207 S CA 1.205 59.427 58.200 0.037 0.000 0.964 207 S CB -0.150 63.057 63.200 0.012 0.000 0.763 207 S HN 0.718 nan 8.310 nan 0.000 0.512 208 R N -0.095 120.339 120.500 -0.111 0.000 2.189 208 R HA 0.090 4.431 4.340 0.002 0.000 0.218 208 R C -0.501 175.548 176.300 -0.418 0.000 1.074 208 R CA 0.576 56.485 56.100 -0.318 0.000 0.991 208 R CB -0.013 29.994 30.300 -0.488 0.000 0.883 208 R HN 0.507 nan 8.270 nan 0.000 0.457 209 Y N -0.737 119.573 120.300 0.017 0.000 2.361 209 Y HA 0.169 4.720 4.550 0.002 0.000 0.332 209 Y C 1.291 177.207 175.900 0.027 0.000 1.101 209 Y CA -0.580 57.531 58.100 0.018 0.000 1.137 209 Y CB 2.056 40.528 38.460 0.019 0.000 1.207 209 Y HN -0.036 nan 8.280 nan 0.000 0.463 210 S N -0.609 115.199 115.700 0.180 0.000 2.497 210 S HA 0.121 4.592 4.470 0.002 0.000 0.218 210 S C 0.315 175.017 174.600 0.170 0.000 1.023 210 S CA -0.198 58.085 58.200 0.139 0.000 0.913 210 S CB 0.182 63.443 63.200 0.101 0.000 0.800 210 S HN 0.590 nan 8.310 nan 0.000 0.505 211 C N 1.199 120.615 119.300 0.193 0.000 2.535 211 C HA 0.767 5.228 4.460 0.002 0.000 0.319 211 C C -1.274 173.776 174.990 0.100 0.000 1.171 211 C CA -1.062 58.065 59.018 0.180 0.000 1.394 211 C CB 0.417 28.304 27.740 0.245 0.000 1.990 211 C HN 0.589 nan 8.230 nan 0.000 0.466 212 I N 6.436 127.035 120.570 0.048 0.000 2.418 212 I HA 0.461 4.631 4.170 0.002 0.000 0.287 212 I C -0.482 175.619 176.117 -0.026 0.000 1.008 212 I CA -0.342 60.927 61.300 -0.051 0.000 1.104 212 I CB 1.519 39.473 38.000 -0.076 0.000 1.264 212 I HN 0.525 nan 8.210 nan 0.000 0.438 213 I N 7.402 127.936 120.570 -0.060 0.000 2.359 213 I HA 0.312 4.483 4.170 0.002 0.000 0.284 213 I C -0.451 175.648 176.117 -0.030 0.000 1.018 213 I CA -0.509 60.769 61.300 -0.037 0.000 1.173 213 I CB 0.945 38.903 38.000 -0.070 0.000 1.326 213 I HN 0.301 nan 8.210 nan 0.000 0.462 214 L N 5.657 126.884 121.223 0.008 0.000 2.268 214 L HA 0.350 4.691 4.340 0.002 0.000 0.289 214 L C -0.181 176.722 176.870 0.056 0.000 1.064 214 L CA -0.187 54.678 54.840 0.041 0.000 0.824 214 L CB 0.450 42.564 42.059 0.091 0.000 1.202 214 L HN 0.530 nan 8.230 nan 0.000 0.433 215 D N 3.132 123.558 120.400 0.044 0.000 2.268 215 D HA 0.139 4.780 4.640 0.002 0.000 0.249 215 D C 0.330 176.653 176.300 0.038 0.000 1.008 215 D CA -0.111 53.917 54.000 0.046 0.000 0.939 215 D CB 1.121 41.947 40.800 0.042 0.000 1.170 215 D HN 0.412 nan 8.370 nan 0.000 0.468 216 E N 0.824 121.058 120.200 0.057 0.000 2.360 216 E HA -0.251 4.100 4.350 0.002 0.000 0.238 216 E C 0.703 177.171 176.600 -0.220 0.000 1.186 216 E CA 0.709 57.064 56.400 -0.074 0.000 0.719 216 E CB -1.719 27.914 29.700 -0.112 0.000 1.236 216 E HN 0.513 nan 8.360 nan 0.000 0.386 217 A N 0.881 123.699 122.820 -0.005 0.000 1.978 217 A HA -0.246 4.075 4.320 0.002 0.000 0.220 217 A C 1.906 179.525 177.584 0.059 0.000 1.170 217 A CA 1.807 53.895 52.037 0.085 0.000 0.636 217 A CB -0.864 18.256 19.000 0.200 0.000 0.810 217 A HN 0.659 nan 8.150 nan 0.000 0.448 218 H N -0.655 118.415 119.070 -0.000 0.000 2.518 218 H HA -0.079 4.478 4.556 0.002 0.000 0.294 218 H C 1.220 176.589 175.328 0.069 0.000 1.083 218 H CA 1.354 57.413 56.048 0.018 0.000 1.264 218 H CB -0.439 29.301 29.762 -0.036 0.000 1.370 218 H HN 0.621 nan 8.280 nan 0.000 0.560 219 E N 0.926 120.902 120.200 -0.374 0.000 2.274 219 E HA -0.050 4.301 4.350 0.002 0.000 0.194 219 E C 0.305 176.896 176.600 -0.016 0.000 0.996 219 E CA -0.125 56.178 56.400 -0.162 0.000 0.840 219 E CB 0.133 29.711 29.700 -0.203 0.000 0.772 219 E HN 0.233 nan 8.360 nan 0.000 0.491 220 R N 1.413 121.933 120.500 0.033 0.000 3.322 220 R HA -0.127 4.213 4.340 0.002 0.000 0.253 220 R C 0.063 176.386 176.300 0.038 0.000 0.987 220 R CA 1.134 57.278 56.100 0.074 0.000 0.666 220 R CB -3.035 27.317 30.300 0.088 0.000 1.072 220 R HN 0.381 nan 8.270 nan 0.000 0.447 221 T N -3.280 111.290 114.554 0.028 0.000 2.802 221 T HA 0.260 4.611 4.350 0.002 0.000 0.305 221 T C 1.946 176.662 174.700 0.026 0.000 1.053 221 T CA -0.508 61.605 62.100 0.022 0.000 1.058 221 T CB 1.166 70.046 68.868 0.020 0.000 0.988 221 T HN 0.270 nan 8.240 nan 0.000 0.539 222 L N 1.186 122.414 121.223 0.009 0.000 1.989 222 L HA -0.082 4.259 4.340 0.002 0.000 0.211 222 L C 3.081 179.983 176.870 0.053 0.000 1.071 222 L CA 1.951 56.793 54.840 0.004 0.000 0.749 222 L CB -1.071 40.973 42.059 -0.025 0.000 0.890 222 L HN 1.002 nan 8.230 nan 0.000 0.431 223 A N -0.703 122.144 122.820 0.046 0.000 1.908 223 A HA -0.279 4.042 4.320 0.002 0.000 0.218 223 A C 2.366 180.003 177.584 0.088 0.000 1.181 223 A CA 2.490 54.563 52.037 0.059 0.000 0.627 223 A CB -1.091 17.933 19.000 0.039 0.000 0.818 223 A HN 0.574 nan 8.150 nan 0.000 0.445 224 T N -2.160 112.446 114.554 0.087 0.000 2.904 224 T HA -0.128 4.223 4.350 0.002 0.000 0.267 224 T C 1.382 176.175 174.700 0.155 0.000 1.059 224 T CA 1.745 63.915 62.100 0.117 0.000 1.137 224 T CB -0.495 68.440 68.868 0.112 0.000 0.879 224 T HN 0.327 nan 8.240 nan 0.000 0.467 225 D N 1.189 121.675 120.400 0.144 0.000 2.117 225 D HA 0.013 4.654 4.640 0.002 0.000 0.197 225 D C 2.003 178.492 176.300 0.314 0.000 0.987 225 D CA 1.026 55.136 54.000 0.183 0.000 0.829 225 D CB -0.351 40.542 40.800 0.155 0.000 0.961 225 D HN 0.498 nan 8.370 nan 0.000 0.460 226 I N 0.188 120.946 120.570 0.312 0.000 2.179 226 I HA -0.226 3.945 4.170 0.002 0.000 0.242 226 I C 2.336 178.616 176.117 0.271 0.000 1.088 226 I CA 0.649 62.142 61.300 0.321 0.000 1.357 226 I CB -0.187 37.913 38.000 0.167 0.000 1.051 226 I HN 0.005 nan 8.210 nan 0.000 0.409 227 L N -0.168 121.174 121.223 0.199 0.000 2.042 227 L HA -0.260 4.081 4.340 0.002 0.000 0.210 227 L C 2.718 179.729 176.870 0.235 0.000 1.076 227 L CA 1.539 56.486 54.840 0.179 0.000 0.749 227 L CB -0.447 41.690 42.059 0.130 0.000 0.893 227 L HN 0.283 nan 8.230 nan 0.000 0.432 228 M N -0.724 119.048 119.600 0.285 0.000 2.108 228 M HA -0.168 4.313 4.480 0.002 0.000 0.261 228 M C 2.286 178.795 176.300 0.349 0.000 1.066 228 M CA 1.931 57.486 55.300 0.426 0.000 1.107 228 M CB -0.981 31.860 32.600 0.402 0.000 1.356 228 M HN 0.400 nan 8.290 nan 0.000 0.406 229 G N 0.720 109.662 108.800 0.237 0.000 2.604 229 G HA2 -0.198 3.762 3.960 0.002 0.000 0.216 229 G HA3 -0.198 3.762 3.960 0.002 0.000 0.216 229 G C 1.406 176.312 174.900 0.011 0.000 1.265 229 G CA 0.702 45.787 45.100 -0.025 0.000 0.804 229 G HN 0.342 nan 8.290 nan 0.000 0.579 230 L N 0.069 121.413 121.223 0.202 0.000 2.034 230 L HA -0.172 4.169 4.340 0.002 0.000 0.217 230 L C 2.974 179.907 176.870 0.104 0.000 1.077 230 L CA 1.030 55.970 54.840 0.166 0.000 0.769 230 L CB -0.476 41.691 42.059 0.179 0.000 0.890 230 L HN 0.194 nan 8.230 nan 0.000 0.435 231 L N -0.571 120.739 121.223 0.145 0.000 2.201 231 L HA -0.192 4.149 4.340 0.002 0.000 0.212 231 L C 2.573 179.521 176.870 0.129 0.000 1.105 231 L CA 0.937 55.858 54.840 0.135 0.000 0.775 231 L CB -0.429 41.721 42.059 0.152 0.000 0.913 231 L HN 0.258 nan 8.230 nan 0.000 0.440 232 K N -0.424 120.063 120.400 0.144 0.000 2.280 232 K HA -0.182 4.139 4.320 0.002 0.000 0.202 232 K C 2.060 178.647 176.600 -0.021 0.000 1.047 232 K CA 1.013 57.340 56.287 0.067 0.000 0.942 232 K CB 0.259 32.694 32.500 -0.109 0.000 0.739 232 K HN 0.264 nan 8.250 nan 0.000 0.457 233 Q N -0.495 119.290 119.800 -0.025 0.000 2.324 233 Q HA 0.013 4.354 4.340 0.002 0.000 0.207 233 Q C 2.117 178.122 176.000 0.008 0.000 0.928 233 Q CA 0.622 56.407 55.803 -0.031 0.000 0.890 233 Q CB 0.104 28.813 28.738 -0.048 0.000 1.001 233 Q HN 0.117 nan 8.270 nan 0.000 0.517 234 V N 0.740 120.675 119.914 0.035 0.000 2.469 234 V HA -0.167 3.954 4.120 0.002 0.000 0.251 234 V C 2.329 178.445 176.094 0.036 0.000 1.064 234 V CA 1.249 63.578 62.300 0.049 0.000 1.066 234 V CB -0.495 31.371 31.823 0.071 0.000 0.667 234 V HN 0.099 nan 8.190 nan 0.000 0.461 235 V N -0.397 119.536 119.914 0.031 0.000 2.626 235 V HA -0.214 3.907 4.120 0.002 0.000 0.252 235 V C 2.366 178.463 176.094 0.005 0.000 1.067 235 V CA 1.847 64.159 62.300 0.019 0.000 1.081 235 V CB -0.386 31.450 31.823 0.022 0.000 0.686 235 V HN 0.582 nan 8.190 nan 0.000 0.468 236 K N -0.520 119.880 120.400 0.000 0.000 2.217 236 K HA -0.038 4.283 4.320 0.002 0.000 0.202 236 K C 2.142 178.742 176.600 -0.000 0.000 1.051 236 K CA 0.961 57.243 56.287 -0.007 0.000 0.952 236 K CB -0.091 32.399 32.500 -0.017 0.000 0.736 236 K HN 0.418 nan 8.250 nan 0.000 0.453 237 R N 0.851 121.357 120.500 0.010 0.000 2.223 237 R HA 0.059 4.400 4.340 0.002 0.000 0.198 237 R C 0.163 176.474 176.300 0.018 0.000 0.984 237 R CA 0.333 56.442 56.100 0.016 0.000 1.018 237 R CB 0.292 30.608 30.300 0.027 0.000 0.945 237 R HN 0.124 nan 8.270 nan 0.000 0.479 238 R N 0.448 120.960 120.500 0.019 0.000 2.468 238 R HA 0.318 4.659 4.340 0.002 0.000 0.302 238 R C -2.692 173.613 176.300 0.008 0.000 1.041 238 R CA -1.960 54.151 56.100 0.018 0.000 0.899 238 R CB 1.516 31.834 30.300 0.030 0.000 1.167 238 R HN -0.216 nan 8.270 nan 0.000 0.483 239 P HA -0.152 nan 4.420 nan 0.000 0.223 239 P C 0.352 177.645 177.300 -0.012 0.000 1.151 239 P CA 1.008 64.101 63.100 -0.013 0.000 0.787 239 P CB 0.179 31.873 31.700 -0.011 0.000 0.788 240 D N -1.251 119.154 120.400 0.009 0.000 2.349 240 D HA -0.013 4.627 4.640 0.002 0.000 0.224 240 D C 0.365 176.686 176.300 0.035 0.000 1.029 240 D CA 0.051 54.067 54.000 0.028 0.000 0.879 240 D CB -0.367 40.453 40.800 0.033 0.000 0.906 240 D HN 0.133 nan 8.370 nan 0.000 0.528 241 L N 0.459 121.695 121.223 0.021 0.000 2.282 241 L HA 0.423 4.764 4.340 0.002 0.000 0.288 241 L C -0.547 176.320 176.870 -0.004 0.000 1.033 241 L CA -0.482 54.379 54.840 0.035 0.000 0.807 241 L CB 1.292 43.380 42.059 0.048 0.000 1.209 241 L HN -0.268 nan 8.230 nan 0.000 0.423 242 K N 5.444 125.851 120.400 0.011 0.000 2.203 242 K HA 0.682 5.003 4.320 0.002 0.000 0.251 242 K C -1.269 175.353 176.600 0.037 0.000 0.944 242 K CA -0.619 55.644 56.287 -0.040 0.000 0.829 242 K CB 1.992 34.390 32.500 -0.170 0.000 1.125 242 K HN 0.568 nan 8.250 nan 0.000 0.430 243 I N 3.592 124.165 120.570 0.004 0.000 2.534 243 I HA 0.381 4.551 4.170 0.002 0.000 0.288 243 I C -0.911 175.209 176.117 0.006 0.000 1.077 243 I CA -0.676 60.620 61.300 -0.007 0.000 1.051 243 I CB 1.756 39.709 38.000 -0.079 0.000 1.234 243 I HN 0.404 nan 8.210 nan 0.000 0.425 244 I N 6.488 127.085 120.570 0.045 0.000 2.436 244 I HA 0.421 4.592 4.170 0.002 0.000 0.289 244 I C -0.670 175.466 176.117 0.031 0.000 1.010 244 I CA -0.776 60.575 61.300 0.085 0.000 1.098 244 I CB 2.020 40.123 38.000 0.170 0.000 1.266 244 I HN 0.260 nan 8.210 nan 0.000 0.434 245 I N 6.697 127.287 120.570 0.034 0.000 2.330 245 I HA 0.419 4.590 4.170 0.002 0.000 0.289 245 I C -0.099 176.089 176.117 0.119 0.000 1.001 245 I CA -0.331 61.012 61.300 0.072 0.000 1.193 245 I CB 1.116 39.181 38.000 0.109 0.000 1.345 245 I HN 0.500 nan 8.210 nan 0.000 0.461 246 M N 4.559 124.221 119.600 0.102 0.000 2.436 246 M HA 0.499 4.980 4.480 0.002 0.000 0.331 246 M C -0.094 176.268 176.300 0.104 0.000 1.135 246 M CA -0.364 55.011 55.300 0.126 0.000 0.987 246 M CB 2.365 35.010 32.600 0.075 0.000 1.687 246 M HN 0.572 nan 8.290 nan 0.000 0.445 247 S N 0.370 116.133 115.700 0.104 0.000 2.550 247 S HA 0.712 5.183 4.470 0.002 0.000 0.270 247 S C -0.010 174.598 174.600 0.013 0.000 1.145 247 S CA -0.150 58.118 58.200 0.112 0.000 0.852 247 S CB 1.900 65.029 63.200 -0.119 0.000 1.119 247 S HN 0.772 nan 8.310 nan 0.000 0.465 248 A N 1.743 124.445 122.820 -0.198 0.000 2.081 248 A HA 0.251 4.572 4.320 0.002 0.000 0.214 248 A C 1.099 178.507 177.584 -0.294 0.000 1.158 248 A CA 1.114 52.946 52.037 -0.341 0.000 0.724 248 A CB -0.810 17.829 19.000 -0.602 0.000 0.826 248 A HN 1.139 nan 8.150 nan 0.000 0.463 249 T N -0.761 113.617 114.554 -0.295 0.000 2.752 249 T HA 0.436 4.787 4.350 0.002 0.000 0.295 249 T C 0.757 175.387 174.700 -0.118 0.000 0.923 249 T CA -0.488 61.509 62.100 -0.171 0.000 1.112 249 T CB 0.424 69.226 68.868 -0.109 0.000 0.884 249 T HN 0.218 nan 8.240 nan 0.000 0.525 250 L N 1.501 122.670 121.223 -0.089 0.000 2.642 250 L HA 0.036 4.377 4.340 0.002 0.000 0.236 250 L C 1.494 178.335 176.870 -0.048 0.000 1.169 250 L CA 0.398 55.197 54.840 -0.069 0.000 0.851 250 L CB -0.695 41.330 42.059 -0.057 0.000 0.968 250 L HN 0.777 nan 8.230 nan 0.000 0.453 251 D N 0.819 121.195 120.400 -0.041 0.000 2.351 251 D HA 0.235 4.876 4.640 0.002 0.000 0.251 251 D C 0.393 176.688 176.300 -0.008 0.000 1.137 251 D CA 0.585 54.581 54.000 -0.007 0.000 0.879 251 D CB 2.228 43.036 40.800 0.013 0.000 1.181 251 D HN 0.097 nan 8.370 nan 0.000 0.448 252 A N 3.761 126.606 122.820 0.042 0.000 2.150 252 A HA 0.073 4.394 4.320 0.002 0.000 0.191 252 A C 1.591 179.284 177.584 0.183 0.000 1.591 252 A CA 0.179 52.266 52.037 0.083 0.000 1.142 252 A CB -0.022 19.004 19.000 0.044 0.000 1.326 252 A HN 0.507 nan 8.150 nan 0.000 0.470 253 E N 1.726 122.006 120.200 0.133 0.000 2.119 253 E HA -0.293 4.058 4.350 0.002 0.000 0.221 253 E C 1.600 178.306 176.600 0.177 0.000 1.062 253 E CA 2.303 58.781 56.400 0.130 0.000 0.894 253 E CB -0.407 29.346 29.700 0.089 0.000 0.785 253 E HN 0.645 nan 8.360 nan 0.000 0.472 254 K N -0.417 120.100 120.400 0.195 0.000 2.074 254 K HA -0.164 4.157 4.320 0.002 0.000 0.209 254 K C 2.168 178.885 176.600 0.196 0.000 1.048 254 K CA 1.617 58.005 56.287 0.168 0.000 0.926 254 K CB -0.373 32.215 32.500 0.146 0.000 0.713 254 K HN 0.094 nan 8.250 nan 0.000 0.444 255 F N 1.622 121.652 119.950 0.134 0.000 2.146 255 F HA -0.175 4.353 4.527 0.002 0.000 0.298 255 F C 2.601 178.596 175.800 0.325 0.000 1.096 255 F CA 1.117 59.263 58.000 0.242 0.000 1.275 255 F CB -0.101 39.060 39.000 0.268 0.000 1.008 255 F HN 0.061 nan 8.300 nan 0.000 0.480 256 Q N 0.039 120.082 119.800 0.406 0.000 2.084 256 Q HA -0.176 4.165 4.340 0.002 0.000 0.202 256 Q C 2.319 178.452 176.000 0.222 0.000 0.978 256 Q CA 1.145 57.126 55.803 0.297 0.000 0.844 256 Q CB -0.226 28.629 28.738 0.195 0.000 0.898 256 Q HN 0.338 nan 8.270 nan 0.000 0.426 257 R N 0.103 120.703 120.500 0.166 0.000 2.083 257 R HA -0.185 4.156 4.340 0.002 0.000 0.237 257 R C 2.150 178.487 176.300 0.061 0.000 1.137 257 R CA 1.470 57.627 56.100 0.095 0.000 0.951 257 R CB -1.062 29.283 30.300 0.076 0.000 0.851 257 R HN 0.380 nan 8.270 nan 0.000 0.434 258 Y N 0.818 121.060 120.300 -0.096 0.000 2.207 258 Y HA -0.159 4.392 4.550 0.002 0.000 0.287 258 Y C 0.925 176.613 175.900 -0.353 0.000 1.156 258 Y CA 1.245 59.168 58.100 -0.295 0.000 1.182 258 Y CB -0.170 37.980 38.460 -0.515 0.000 0.979 258 Y HN -0.125 nan 8.280 nan 0.000 0.521 259 F N 2.120 122.085 119.950 0.026 0.000 2.974 259 F HA 0.226 4.754 4.527 0.002 0.000 0.292 259 F C 0.132 175.907 175.800 -0.042 0.000 1.209 259 F CA -0.625 57.350 58.000 -0.041 0.000 1.366 259 F CB -0.909 38.147 39.000 0.092 0.000 1.033 259 F HN 0.049 nan 8.300 nan 0.000 0.516 260 N N 1.070 119.785 118.700 0.025 0.000 2.738 260 N HA -0.242 4.499 4.740 0.002 0.000 0.249 260 N C -0.593 174.947 175.510 0.050 0.000 1.047 260 N CA 1.103 54.160 53.050 0.012 0.000 0.707 260 N CB -1.292 37.193 38.487 -0.004 0.000 0.937 260 N HN 0.440 nan 8.380 nan 0.000 0.545 261 D N -3.018 117.426 120.400 0.072 0.000 2.800 261 D HA -0.184 4.457 4.640 0.002 0.000 0.232 261 D C 0.655 177.005 176.300 0.084 0.000 1.137 261 D CA 1.365 55.409 54.000 0.073 0.000 0.718 261 D CB -1.362 39.463 40.800 0.040 0.000 1.084 261 D HN 0.812 nan 8.370 nan 0.000 0.432 262 A N 0.410 123.305 122.820 0.126 0.000 2.507 262 A HA 0.399 4.720 4.320 0.002 0.000 0.235 262 A C -1.618 176.021 177.584 0.093 0.000 1.070 262 A CA -0.429 51.672 52.037 0.108 0.000 0.768 262 A CB 0.205 19.291 19.000 0.143 0.000 1.011 262 A HN 0.078 nan 8.150 nan 0.000 0.502 263 P HA 0.421 nan 4.420 nan 0.000 0.276 263 P C -0.992 176.349 177.300 0.069 0.000 1.244 263 P CA -0.298 62.835 63.100 0.055 0.000 0.801 263 P CB 0.965 32.685 31.700 0.033 0.000 1.006 264 L N 2.214 123.468 121.223 0.051 0.000 2.362 264 L HA 0.578 4.918 4.340 0.002 0.000 0.275 264 L C -1.307 175.558 176.870 -0.008 0.000 0.998 264 L CA -0.809 54.052 54.840 0.035 0.000 0.820 264 L CB 1.447 43.521 42.059 0.026 0.000 1.270 264 L HN 0.242 nan 8.230 nan 0.000 0.415 265 L N 5.137 126.326 121.223 -0.057 0.000 2.305 265 L HA 0.908 5.249 4.340 0.002 0.000 0.284 265 L C -0.630 176.012 176.870 -0.379 0.000 1.013 265 L CA -0.261 54.472 54.840 -0.177 0.000 0.819 265 L CB 1.426 43.402 42.059 -0.138 0.000 1.227 265 L HN 0.875 nan 8.230 nan 0.000 0.417 266 A N 5.015 127.672 122.820 -0.272 0.000 2.318 266 A HA 0.702 5.023 4.320 0.002 0.000 0.324 266 A C -0.979 176.462 177.584 -0.238 0.000 1.170 266 A CA -0.530 51.351 52.037 -0.260 0.000 0.810 266 A CB 1.552 20.469 19.000 -0.138 0.000 1.198 266 A HN 0.451 nan 8.150 nan 0.000 0.484 267 V N 4.347 124.118 119.914 -0.238 0.000 2.406 267 V HA 0.291 4.412 4.120 0.002 0.000 0.272 267 V C -2.055 173.996 176.094 -0.072 0.000 1.043 267 V CA -1.259 60.968 62.300 -0.121 0.000 0.915 267 V CB 0.914 32.703 31.823 -0.056 0.000 0.988 267 V HN 0.810 nan 8.190 nan 0.000 0.466 268 P HA 0.186 nan 4.420 nan 0.000 0.268 268 P C 0.356 177.631 177.300 -0.042 0.000 1.205 268 P CA 0.200 63.274 63.100 -0.044 0.000 0.771 268 P CB 0.510 32.190 31.700 -0.035 0.000 0.858 269 G N 2.062 110.833 108.800 -0.048 0.000 2.442 269 G HA2 0.140 4.100 3.960 0.002 0.000 0.249 269 G HA3 0.140 4.100 3.960 0.002 0.000 0.249 269 G C 0.205 175.060 174.900 -0.075 0.000 1.263 269 G CA -0.476 44.592 45.100 -0.053 0.000 0.846 269 G HN 0.449 nan 8.290 nan 0.000 0.555 270 R N 0.764 121.211 120.500 -0.089 0.000 2.659 270 R HA 0.124 4.465 4.340 0.002 0.000 0.418 270 R C 0.029 176.188 176.300 -0.235 0.000 1.076 270 R CA -0.222 55.782 56.100 -0.160 0.000 1.093 270 R CB 0.727 30.951 30.300 -0.127 0.000 1.400 270 R HN 0.507 nan 8.270 nan 0.000 0.583 271 T N 1.090 115.552 114.554 -0.154 0.000 2.884 271 T HA 0.164 4.515 4.350 0.002 0.000 0.298 271 T C -0.028 174.586 174.700 -0.143 0.000 0.998 271 T CA 0.232 62.269 62.100 -0.105 0.000 1.124 271 T CB 0.469 69.320 68.868 -0.028 0.000 0.931 271 T HN 0.014 nan 8.240 nan 0.000 0.531 272 Y N 2.671 122.962 120.300 -0.016 0.000 2.299 272 Y HA 0.287 4.839 4.550 0.003 0.000 0.335 272 Y C -1.640 174.246 175.900 -0.024 0.000 1.287 272 Y CA -2.091 55.998 58.100 -0.020 0.000 1.424 272 Y CB -0.119 38.326 38.460 -0.025 0.000 1.326 272 Y HN 0.472 nan 8.280 nan 0.000 0.567 273 P HA 0.048 nan 4.420 nan 0.000 0.266 273 P C -1.251 176.077 177.300 0.046 0.000 1.195 273 P CA 0.113 63.253 63.100 0.067 0.000 0.768 273 P CB 0.512 32.245 31.700 0.056 0.000 0.838 274 V N 2.796 122.714 119.914 0.007 0.000 2.443 274 V HA 0.195 4.316 4.120 0.002 0.000 0.293 274 V C 0.209 176.269 176.094 -0.057 0.000 1.021 274 V CA -0.651 61.637 62.300 -0.019 0.000 0.848 274 V CB 1.368 33.178 31.823 -0.022 0.000 0.998 274 V HN 0.524 nan 8.190 nan 0.000 0.424 275 E N 4.765 124.932 120.200 -0.055 0.000 2.316 275 E HA 0.399 4.750 4.350 0.002 0.000 0.275 275 E C -1.170 175.315 176.600 -0.193 0.000 1.029 275 E CA -0.395 55.934 56.400 -0.119 0.000 0.871 275 E CB 0.817 30.473 29.700 -0.074 0.000 1.022 275 E HN 0.568 nan 8.360 nan 0.000 0.418 276 L N 5.453 126.487 121.223 -0.315 0.000 2.282 276 L HA 0.355 4.696 4.340 0.002 0.000 0.288 276 L C -0.899 175.634 176.870 -0.562 0.000 1.033 276 L CA -0.760 53.827 54.840 -0.422 0.000 0.807 276 L CB 0.732 42.526 42.059 -0.442 0.000 1.209 276 L HN 0.577 nan 8.230 nan 0.000 0.423 277 Y N 2.057 121.975 120.300 -0.637 0.000 2.352 277 Y HA 0.506 5.057 4.550 0.001 0.000 0.339 277 Y C -0.555 175.041 175.900 -0.507 0.000 0.992 277 Y CA -0.634 57.196 58.100 -0.449 0.000 1.100 277 Y CB 1.538 39.733 38.460 -0.441 0.000 1.192 277 Y HN 0.330 nan 8.280 nan 0.000 0.458 278 Y N 0.109 120.393 120.300 -0.028 0.000 2.549 278 Y HA 0.401 4.952 4.550 0.002 0.000 0.339 278 Y C 0.389 176.298 175.900 0.015 0.000 1.053 278 Y CA -1.368 56.689 58.100 -0.072 0.000 1.105 278 Y CB 1.903 40.315 38.460 -0.079 0.000 1.258 278 Y HN 0.563 nan 8.280 nan 0.000 0.478 279 T N -0.855 113.809 114.554 0.183 0.000 2.907 279 T HA 0.205 4.556 4.350 0.002 0.000 0.298 279 T C -2.164 172.632 174.700 0.159 0.000 1.017 279 T CA -1.657 60.536 62.100 0.154 0.000 1.118 279 T CB 1.396 70.342 68.868 0.129 0.000 0.948 279 T HN 0.362 nan 8.240 nan 0.000 0.531 280 P HA 0.056 nan 4.420 nan 0.000 0.217 280 P C 0.327 177.699 177.300 0.119 0.000 1.151 280 P CA 1.043 64.208 63.100 0.108 0.000 0.828 280 P CB 0.248 32.002 31.700 0.089 0.000 0.788 281 E N -1.127 119.152 120.200 0.131 0.000 2.281 281 E HA 0.254 4.605 4.350 0.002 0.000 0.262 281 E C -0.445 176.283 176.600 0.214 0.000 0.933 281 E CA -1.296 55.202 56.400 0.163 0.000 0.809 281 E CB 0.859 30.641 29.700 0.137 0.000 1.242 281 E HN -0.058 nan 8.360 nan 0.000 0.418 282 F N 1.436 121.459 119.950 0.123 0.000 2.595 282 F HA -0.017 4.511 4.527 0.002 0.000 0.359 282 F C 0.234 176.127 175.800 0.156 0.000 1.147 282 F CA 0.355 58.445 58.000 0.150 0.000 1.341 282 F CB 0.534 39.611 39.000 0.128 0.000 1.104 282 F HN 0.204 nan 8.300 nan 0.000 0.603 283 Q N 4.516 123.816 119.800 -0.833 0.000 2.425 283 Q HA 0.260 4.600 4.340 0.002 0.000 0.254 283 Q C 0.700 176.176 176.000 -0.872 0.000 1.032 283 Q CA -0.540 54.930 55.803 -0.556 0.000 0.798 283 Q CB 1.230 29.879 28.738 -0.149 0.000 1.210 283 Q HN 0.696 nan 8.270 nan 0.000 0.491 284 R N 1.927 122.085 120.500 -0.570 0.000 2.092 284 R HA 0.008 4.349 4.340 0.002 0.000 0.231 284 R C -0.588 175.642 176.300 -0.115 0.000 1.119 284 R CA 1.481 57.438 56.100 -0.237 0.000 0.970 284 R CB 0.524 30.865 30.300 0.068 0.000 0.864 284 R HN 0.478 nan 8.270 nan 0.000 0.440 285 D N 0.151 120.484 120.400 -0.112 0.000 2.438 285 D HA 0.052 4.693 4.640 0.002 0.000 0.257 285 D C 0.033 176.277 176.300 -0.094 0.000 1.148 285 D CA -0.344 53.577 54.000 -0.132 0.000 0.902 285 D CB 0.822 41.559 40.800 -0.105 0.000 1.062 285 D HN 0.250 nan 8.370 nan 0.000 0.518 286 Y N 0.831 121.105 120.300 -0.044 0.000 2.395 286 Y HA -0.036 4.515 4.550 0.001 0.000 0.293 286 Y C 1.740 177.649 175.900 0.016 0.000 1.123 286 Y CA 0.198 58.307 58.100 0.014 0.000 1.227 286 Y CB -0.373 38.151 38.460 0.107 0.000 1.012 286 Y HN 0.244 nan 8.280 nan 0.000 0.552 287 L N 1.601 122.722 121.223 -0.169 0.000 1.989 287 L HA -0.184 4.156 4.340 0.002 0.000 0.211 287 L C 1.688 178.575 176.870 0.028 0.000 1.071 287 L CA 2.191 57.027 54.840 -0.007 0.000 0.749 287 L CB -1.032 40.931 42.059 -0.159 0.000 0.890 287 L HN 0.196 nan 8.230 nan 0.000 0.431 288 D N -1.330 119.055 120.400 -0.025 0.000 2.144 288 D HA -0.155 4.486 4.640 0.002 0.000 0.200 288 D C 2.372 178.675 176.300 0.005 0.000 0.978 288 D CA 1.325 55.316 54.000 -0.015 0.000 0.833 288 D CB -0.096 40.685 40.800 -0.032 0.000 0.961 288 D HN 0.421 nan 8.370 nan 0.000 0.470 289 S N 0.142 115.858 115.700 0.026 0.000 2.356 289 S HA -0.148 4.323 4.470 0.002 0.000 0.223 289 S C 2.066 176.690 174.600 0.040 0.000 1.032 289 S CA 1.498 59.720 58.200 0.036 0.000 1.005 289 S CB -0.166 63.071 63.200 0.063 0.000 0.867 289 S HN 0.239 nan 8.310 nan 0.000 0.449 290 A N 1.466 124.341 122.820 0.093 0.000 1.883 290 A HA -0.048 4.273 4.320 0.002 0.000 0.217 290 A C 2.148 179.740 177.584 0.014 0.000 1.186 290 A CA 1.694 53.778 52.037 0.078 0.000 0.624 290 A CB -0.871 18.223 19.000 0.155 0.000 0.822 290 A HN 0.635 nan 8.150 nan 0.000 0.444 291 I N -1.294 119.285 120.570 0.014 0.000 2.179 291 I HA -0.258 3.913 4.170 0.002 0.000 0.242 291 I C 2.752 178.842 176.117 -0.045 0.000 1.088 291 I CA 1.706 62.996 61.300 -0.016 0.000 1.357 291 I CB -0.321 37.672 38.000 -0.012 0.000 1.051 291 I HN 0.357 nan 8.210 nan 0.000 0.409 292 R N 0.322 120.797 120.500 -0.043 0.000 2.081 292 R HA -0.209 4.132 4.340 0.002 0.000 0.235 292 R C 2.469 178.704 176.300 -0.108 0.000 1.131 292 R CA 2.135 58.198 56.100 -0.062 0.000 0.960 292 R CB -0.326 29.947 30.300 -0.045 0.000 0.856 292 R HN 0.399 nan 8.270 nan 0.000 0.436 293 T N -1.265 113.210 114.554 -0.132 0.000 2.904 293 T HA -0.016 4.335 4.350 0.002 0.000 0.267 293 T C 1.845 176.358 174.700 -0.312 0.000 1.059 293 T CA 1.138 63.085 62.100 -0.256 0.000 1.137 293 T CB -0.076 68.613 68.868 -0.297 0.000 0.879 293 T HN 0.067 nan 8.240 nan 0.000 0.467 294 V N 1.579 121.374 119.914 -0.198 0.000 2.287 294 V HA -0.091 4.030 4.120 0.002 0.000 0.248 294 V C 2.758 178.764 176.094 -0.148 0.000 1.053 294 V CA 1.890 64.086 62.300 -0.173 0.000 1.027 294 V CB -0.639 31.122 31.823 -0.104 0.000 0.646 294 V HN 0.502 nan 8.190 nan 0.000 0.447 295 L N -0.603 120.554 121.223 -0.111 0.000 2.093 295 L HA -0.204 4.137 4.340 0.002 0.000 0.208 295 L C 2.595 179.412 176.870 -0.089 0.000 1.085 295 L CA 1.720 56.524 54.840 -0.061 0.000 0.755 295 L CB -0.583 41.447 42.059 -0.048 0.000 0.904 295 L HN 0.391 nan 8.230 nan 0.000 0.435 296 Q N 0.799 120.507 119.800 -0.153 0.000 2.050 296 Q HA -0.214 4.126 4.340 0.002 0.000 0.202 296 Q C 2.335 178.185 176.000 -0.250 0.000 0.980 296 Q CA 1.706 57.396 55.803 -0.188 0.000 0.840 296 Q CB -0.068 28.543 28.738 -0.212 0.000 0.898 296 Q HN 0.468 nan 8.270 nan 0.000 0.424 297 I N 0.215 120.572 120.570 -0.355 0.000 2.151 297 I HA -0.375 3.796 4.170 0.002 0.000 0.243 297 I C 2.635 178.576 176.117 -0.293 0.000 1.080 297 I CA 1.808 62.840 61.300 -0.446 0.000 1.339 297 I CB -0.610 37.050 38.000 -0.567 0.000 1.039 297 I HN 0.460 nan 8.210 nan 0.000 0.409 298 H N 0.817 119.726 119.070 -0.268 0.000 2.421 298 H HA -0.115 4.442 4.556 0.002 0.000 0.298 298 H C 2.134 177.374 175.328 -0.146 0.000 1.087 298 H CA 1.354 57.291 56.048 -0.185 0.000 1.330 298 H CB 0.345 30.027 29.762 -0.134 0.000 1.388 298 H HN 0.378 nan 8.280 nan 0.000 0.526 299 A N 0.001 122.667 122.820 -0.257 0.000 2.081 299 A HA -0.036 4.285 4.320 0.002 0.000 0.214 299 A C 2.264 179.722 177.584 -0.210 0.000 1.158 299 A CA 1.268 53.137 52.037 -0.280 0.000 0.724 299 A CB -0.253 18.645 19.000 -0.170 0.000 0.826 299 A HN 0.619 nan 8.150 nan 0.000 0.463 300 T N -3.873 110.567 114.554 -0.189 0.000 2.954 300 T HA 0.192 4.543 4.350 0.002 0.000 0.252 300 T C 0.338 174.963 174.700 -0.125 0.000 0.983 300 T CA -0.201 61.815 62.100 -0.140 0.000 0.941 300 T CB 0.118 68.915 68.868 -0.119 0.000 1.141 300 T HN 0.206 nan 8.240 nan 0.000 0.500 301 E N 2.462 122.555 120.200 -0.178 0.000 2.250 301 E HA 0.343 4.694 4.350 0.002 0.000 0.269 301 E C -0.043 176.532 176.600 -0.043 0.000 1.018 301 E CA -0.471 55.849 56.400 -0.135 0.000 0.873 301 E CB 1.347 30.820 29.700 -0.379 0.000 1.134 301 E HN 0.694 nan 8.360 nan 0.000 0.403 302 E N 0.252 120.497 120.200 0.074 0.000 2.376 302 E HA 0.437 4.788 4.350 0.002 0.000 0.254 302 E C -0.098 176.602 176.600 0.165 0.000 1.213 302 E CA -0.773 55.680 56.400 0.089 0.000 0.945 302 E CB 0.377 30.124 29.700 0.078 0.000 1.057 302 E HN 0.481 nan 8.360 nan 0.000 0.479 303 A N 0.342 123.228 122.820 0.109 0.000 2.624 303 A HA 0.361 4.682 4.320 0.002 0.000 0.231 303 A C 0.676 178.367 177.584 0.179 0.000 1.034 303 A CA 0.955 53.063 52.037 0.119 0.000 0.754 303 A CB -0.700 18.335 19.000 0.057 0.000 0.953 303 A HN 0.924 nan 8.150 nan 0.000 0.509 304 G N 2.108 111.025 108.800 0.195 0.000 2.249 304 G HA2 0.388 4.349 3.960 0.002 0.000 0.252 304 G HA3 0.388 4.349 3.960 0.002 0.000 0.252 304 G C -1.243 173.813 174.900 0.260 0.000 1.697 304 G CA -0.572 44.623 45.100 0.159 0.000 0.916 304 G HN 0.759 nan 8.290 nan 0.000 0.725 305 D N 0.290 120.768 120.400 0.130 0.000 2.348 305 D HA 0.605 5.246 4.640 0.002 0.000 0.249 305 D C 0.644 177.048 176.300 0.174 0.000 1.110 305 D CA 0.090 54.166 54.000 0.127 0.000 0.967 305 D CB 1.631 42.463 40.800 0.053 0.000 1.139 305 D HN 0.401 nan 8.370 nan 0.000 0.466 306 I N 1.058 121.697 120.570 0.115 0.000 2.433 306 I HA 0.232 4.403 4.170 0.002 0.000 0.292 306 I C -0.703 175.425 176.117 0.018 0.000 1.001 306 I CA -1.001 60.365 61.300 0.109 0.000 1.119 306 I CB 1.813 39.844 38.000 0.051 0.000 1.289 306 I HN -0.019 nan 8.210 nan 0.000 0.438 307 L N 7.502 128.729 121.223 0.006 0.000 2.298 307 L HA 0.528 4.869 4.340 0.002 0.000 0.284 307 L C -1.149 175.640 176.870 -0.135 0.000 1.013 307 L CA -0.498 54.266 54.840 -0.126 0.000 0.824 307 L CB 1.379 43.335 42.059 -0.171 0.000 1.221 307 L HN 0.483 nan 8.230 nan 0.000 0.418 308 L N 5.444 126.564 121.223 -0.172 0.000 2.296 308 L HA 0.592 4.933 4.340 0.002 0.000 0.286 308 L C -1.309 175.462 176.870 -0.165 0.000 1.023 308 L CA 0.125 54.919 54.840 -0.075 0.000 0.812 308 L CB 0.951 43.001 42.059 -0.016 0.000 1.223 308 L HN 0.429 nan 8.230 nan 0.000 0.421 309 F N 6.006 125.995 119.950 0.064 0.000 2.404 309 F HA 0.485 5.013 4.527 0.001 0.000 0.358 309 F C 0.234 176.077 175.800 0.072 0.000 1.120 309 F CA -0.063 57.977 58.000 0.067 0.000 1.144 309 F CB 0.799 39.838 39.000 0.065 0.000 1.133 309 F HN 0.397 nan 8.300 nan 0.000 0.495 310 L N 1.184 122.543 121.223 0.227 0.000 2.422 310 L HA 0.503 4.843 4.340 0.002 0.000 0.263 310 L C 0.944 177.937 176.870 0.205 0.000 1.110 310 L CA -0.522 54.440 54.840 0.203 0.000 1.065 310 L CB 1.338 43.503 42.059 0.178 0.000 1.701 310 L HN 0.419 nan 8.230 nan 0.000 0.548 311 T N -1.444 113.218 114.554 0.180 0.000 2.987 311 T HA 0.352 4.703 4.350 0.002 0.000 0.248 311 T C 0.024 174.794 174.700 0.116 0.000 0.997 311 T CA 0.376 62.574 62.100 0.163 0.000 1.013 311 T CB 0.910 69.889 68.868 0.185 0.000 1.077 311 T HN 0.716 nan 8.240 nan 0.000 0.483 312 G N 0.361 109.207 108.800 0.077 0.000 2.576 312 G HA2 0.427 4.388 3.960 0.002 0.000 0.290 312 G HA3 0.427 4.388 3.960 0.002 0.000 0.290 312 G C 0.173 175.008 174.900 -0.108 0.000 1.442 312 G CA -0.221 44.878 45.100 -0.001 0.000 0.792 312 G HN 0.148 nan 8.290 nan 0.000 0.491 313 E N -0.107 119.901 120.200 -0.320 0.000 2.077 313 E HA -0.156 4.195 4.350 0.002 0.000 0.193 313 E C 0.961 177.352 176.600 -0.348 0.000 0.989 313 E CA 1.550 57.511 56.400 -0.732 0.000 0.800 313 E CB -0.060 28.851 29.700 -1.314 0.000 0.746 313 E HN 0.300 nan 8.360 nan 0.000 0.452 314 D N 1.306 121.589 120.400 -0.195 0.000 2.084 314 D HA -0.203 4.438 4.640 0.002 0.000 0.194 314 D C 1.911 178.186 176.300 -0.042 0.000 0.990 314 D CA 1.483 55.429 54.000 -0.090 0.000 0.826 314 D CB -0.375 40.393 40.800 -0.055 0.000 0.971 314 D HN 0.401 nan 8.370 nan 0.000 0.453 315 E N 0.255 120.440 120.200 -0.025 0.000 2.085 315 E HA -0.169 4.182 4.350 0.002 0.000 0.194 315 E C 2.281 178.902 176.600 0.035 0.000 0.994 315 E CA 0.747 57.155 56.400 0.014 0.000 0.801 315 E CB -0.111 29.619 29.700 0.050 0.000 0.743 315 E HN 0.253 nan 8.360 nan 0.000 0.453 316 I N 1.053 121.644 120.570 0.036 0.000 2.202 316 I HA -0.231 3.940 4.170 0.002 0.000 0.242 316 I C 2.442 178.610 176.117 0.086 0.000 1.091 316 I CA 0.954 62.306 61.300 0.087 0.000 1.368 316 I CB -0.247 37.855 38.000 0.170 0.000 1.058 316 I HN 0.099 nan 8.210 nan 0.000 0.410 317 E N 0.475 120.719 120.200 0.073 0.000 2.110 317 E HA -0.276 4.075 4.350 0.002 0.000 0.193 317 E C 1.631 178.254 176.600 0.040 0.000 0.988 317 E CA 1.457 57.903 56.400 0.078 0.000 0.804 317 E CB -0.375 29.366 29.700 0.067 0.000 0.745 317 E HN 0.488 nan 8.360 nan 0.000 0.458 318 D N 0.335 120.749 120.400 0.024 0.000 2.144 318 D HA -0.094 4.547 4.640 0.002 0.000 0.199 318 D C 1.798 178.104 176.300 0.011 0.000 0.984 318 D CA 1.514 55.521 54.000 0.013 0.000 0.834 318 D CB 0.028 40.831 40.800 0.005 0.000 0.955 318 D HN 0.123 nan 8.370 nan 0.000 0.465 319 A N -0.389 122.443 122.820 0.021 0.000 1.970 319 A HA 0.005 4.326 4.320 0.002 0.000 0.216 319 A C 2.425 180.009 177.584 0.000 0.000 1.170 319 A CA 0.904 52.950 52.037 0.015 0.000 0.645 319 A CB -0.526 18.495 19.000 0.035 0.000 0.816 319 A HN 0.198 nan 8.150 nan 0.000 0.447 320 V N 1.475 121.394 119.914 0.007 0.000 2.295 320 V HA -0.318 3.803 4.120 0.002 0.000 0.246 320 V C 2.805 178.880 176.094 -0.032 0.000 1.049 320 V CA 2.428 64.718 62.300 -0.016 0.000 1.024 320 V CB -0.871 30.953 31.823 0.001 0.000 0.648 320 V HN 0.834 nan 8.190 nan 0.000 0.447 321 R N 0.617 121.107 120.500 -0.016 0.000 2.075 321 R HA -0.144 4.197 4.340 0.002 0.000 0.232 321 R C 2.204 178.488 176.300 -0.027 0.000 1.126 321 R CA 1.579 57.666 56.100 -0.022 0.000 0.963 321 R CB -0.528 29.766 30.300 -0.011 0.000 0.858 321 R HN 0.373 nan 8.270 nan 0.000 0.435 322 K N 0.733 121.120 120.400 -0.021 0.000 2.026 322 K HA -0.033 4.288 4.320 0.002 0.000 0.208 322 K C 2.147 178.726 176.600 -0.034 0.000 1.048 322 K CA 1.658 57.931 56.287 -0.024 0.000 0.929 322 K CB -0.161 32.328 32.500 -0.018 0.000 0.713 322 K HN 0.196 nan 8.250 nan 0.000 0.439 323 I N 0.415 120.961 120.570 -0.041 0.000 2.353 323 I HA -0.233 3.938 4.170 0.002 0.000 0.248 323 I C 2.438 178.511 176.117 -0.072 0.000 1.119 323 I CA 0.736 62.002 61.300 -0.057 0.000 1.417 323 I CB -0.114 37.847 38.000 -0.064 0.000 1.078 323 I HN 0.092 nan 8.210 nan 0.000 0.421 324 S N 0.810 116.465 115.700 -0.076 0.000 2.348 324 S HA -0.194 4.277 4.470 0.002 0.000 0.221 324 S C 1.951 176.512 174.600 -0.064 0.000 1.033 324 S CA 1.572 59.719 58.200 -0.088 0.000 1.010 324 S CB -0.318 62.829 63.200 -0.089 0.000 0.891 324 S HN 0.331 nan 8.310 nan 0.000 0.442 325 L N 1.847 123.041 121.223 -0.048 0.000 2.046 325 L HA -0.045 4.296 4.340 0.002 0.000 0.208 325 L C 2.004 178.855 176.870 -0.032 0.000 1.077 325 L CA 1.932 56.750 54.840 -0.036 0.000 0.747 325 L CB -0.659 41.383 42.059 -0.028 0.000 0.896 325 L HN 0.299 nan 8.230 nan 0.000 0.432 326 E N -0.720 119.460 120.200 -0.033 0.000 2.208 326 E HA -0.080 4.271 4.350 0.002 0.000 0.193 326 E C 2.074 178.662 176.600 -0.021 0.000 0.988 326 E CA 0.697 57.081 56.400 -0.026 0.000 0.828 326 E CB -0.372 29.312 29.700 -0.027 0.000 0.763 326 E HN 0.694 nan 8.360 nan 0.000 0.478 327 G N 1.900 110.679 108.800 -0.035 0.000 2.433 327 G HA2 -0.282 3.679 3.960 0.002 0.000 0.216 327 G HA3 -0.282 3.679 3.960 0.002 0.000 0.216 327 G C 1.154 176.049 174.900 -0.009 0.000 1.186 327 G CA 0.994 46.077 45.100 -0.029 0.000 0.779 327 G HN 0.112 nan 8.290 nan 0.000 0.543 328 D N 0.407 120.792 120.400 -0.025 0.000 2.123 328 D HA -0.100 4.541 4.640 0.002 0.000 0.196 328 D C 2.696 178.992 176.300 -0.006 0.000 0.992 328 D CA 0.978 54.968 54.000 -0.016 0.000 0.833 328 D CB -0.302 40.484 40.800 -0.024 0.000 0.954 328 D HN 0.417 nan 8.370 nan 0.000 0.455 329 Q N -0.253 119.541 119.800 -0.010 0.000 2.124 329 Q HA -0.059 4.282 4.340 0.002 0.000 0.202 329 Q C 2.412 178.410 176.000 -0.003 0.000 0.977 329 Q CA 0.633 56.431 55.803 -0.008 0.000 0.850 329 Q CB -0.030 28.701 28.738 -0.012 0.000 0.901 329 Q HN 0.333 nan 8.270 nan 0.000 0.429 330 L N -0.328 120.898 121.223 0.005 0.000 2.141 330 L HA -0.145 4.196 4.340 0.002 0.000 0.209 330 L C 2.239 179.115 176.870 0.010 0.000 1.094 330 L CA 0.511 55.356 54.840 0.008 0.000 0.763 330 L CB -0.301 41.776 42.059 0.031 0.000 0.908 330 L HN 0.116 nan 8.230 nan 0.000 0.437 331 V N 0.049 119.977 119.914 0.023 0.000 2.261 331 V HA -0.283 3.838 4.120 0.002 0.000 0.246 331 V C 2.582 178.680 176.094 0.007 0.000 1.047 331 V CA 1.836 64.149 62.300 0.022 0.000 1.015 331 V CB -0.564 31.276 31.823 0.028 0.000 0.642 331 V HN 0.432 nan 8.190 nan 0.000 0.446 332 R N -0.298 120.204 120.500 0.004 0.000 2.092 332 R HA -0.118 4.223 4.340 0.002 0.000 0.231 332 R C 2.228 178.525 176.300 -0.005 0.000 1.119 332 R CA 1.531 57.630 56.100 -0.000 0.000 0.970 332 R CB -0.179 30.119 30.300 -0.002 0.000 0.864 332 R HN 0.624 nan 8.270 nan 0.000 0.440 333 E N -0.115 120.080 120.200 -0.007 0.000 2.140 333 E HA -0.058 4.293 4.350 0.002 0.000 0.191 333 E C 1.308 177.899 176.600 -0.015 0.000 0.973 333 E CA 0.612 57.005 56.400 -0.011 0.000 0.829 333 E CB 0.395 30.088 29.700 -0.012 0.000 0.781 333 E HN 0.226 nan 8.360 nan 0.000 0.466 334 E N -0.795 119.394 120.200 -0.018 0.000 2.539 334 E HA 0.135 4.486 4.350 0.002 0.000 0.215 334 E C 0.802 177.384 176.600 -0.030 0.000 0.965 334 E CA 0.535 56.919 56.400 -0.027 0.000 1.019 334 E CB 1.479 31.157 29.700 -0.037 0.000 1.059 334 E HN 0.272 nan 8.360 nan 0.000 0.496 335 G N 1.954 110.741 108.800 -0.022 0.000 2.160 335 G HA2 -0.298 3.663 3.960 0.002 0.000 0.244 335 G HA3 -0.298 3.663 3.960 0.002 0.000 0.244 335 G C 0.516 175.394 174.900 -0.036 0.000 1.022 335 G CA 0.235 45.323 45.100 -0.020 0.000 0.741 335 G HN 0.290 nan 8.290 nan 0.000 0.508 336 C N 0.122 119.395 119.300 -0.045 0.000 2.705 336 C HA 0.607 5.068 4.460 0.002 0.000 0.382 336 C C 1.883 176.860 174.990 -0.022 0.000 1.322 336 C CA 0.405 59.365 59.018 -0.096 0.000 2.290 336 C CB 0.282 27.944 27.740 -0.130 0.000 2.650 336 C HN 0.943 nan 8.230 nan 0.000 0.695 337 G N 1.993 110.769 108.800 -0.039 0.000 2.667 337 G HA2 0.429 4.390 3.960 0.002 0.000 0.250 337 G HA3 0.429 4.390 3.960 0.002 0.000 0.250 337 G C -2.635 172.379 174.900 0.189 0.000 1.212 337 G CA -0.444 44.699 45.100 0.071 0.000 0.874 337 G HN 0.577 nan 8.290 nan 0.000 0.561 338 P HA 0.235 nan 4.420 nan 0.000 0.269 338 P C -0.667 176.620 177.300 -0.021 0.000 1.215 338 P CA -0.365 62.763 63.100 0.046 0.000 0.780 338 P CB 0.977 32.684 31.700 0.012 0.000 0.898 339 L N 1.970 123.111 121.223 -0.137 0.000 2.415 339 L HA 0.393 4.733 4.340 0.002 0.000 0.268 339 L C -0.325 176.412 176.870 -0.222 0.000 0.984 339 L CA -0.277 54.377 54.840 -0.312 0.000 0.853 339 L CB 0.992 42.729 42.059 -0.537 0.000 1.215 339 L HN 0.406 nan 8.230 nan 0.000 0.419 340 S N 3.629 119.213 115.700 -0.193 0.000 2.610 340 S HA 0.888 5.359 4.470 0.002 0.000 0.273 340 S C -0.406 173.975 174.600 -0.364 0.000 1.274 340 S CA -0.653 57.382 58.200 -0.276 0.000 1.023 340 S CB 1.788 64.872 63.200 -0.194 0.000 0.962 340 S HN 0.438 nan 8.310 nan 0.000 0.523 341 V N 2.438 122.003 119.914 -0.580 0.000 2.623 341 V HA 0.490 4.611 4.120 0.002 0.000 0.304 341 V C -1.702 174.051 176.094 -0.570 0.000 1.054 341 V CA -0.704 61.350 62.300 -0.410 0.000 0.882 341 V CB 0.972 32.649 31.823 -0.242 0.000 1.002 341 V HN 0.946 nan 8.190 nan 0.000 0.424 342 Y N 4.976 125.221 120.300 -0.091 0.000 2.442 342 Y HA 0.654 5.204 4.550 0.001 0.000 0.344 342 Y C -2.482 173.354 175.900 -0.106 0.000 0.976 342 Y CA -2.552 55.485 58.100 -0.104 0.000 1.040 342 Y CB 2.819 41.196 38.460 -0.139 0.000 1.228 342 Y HN 0.414 nan 8.280 nan 0.000 0.451 343 P HA 0.368 nan 4.420 nan 0.000 0.281 343 P C -1.337 175.873 177.300 -0.150 0.000 1.249 343 P CA -0.431 62.664 63.100 -0.009 0.000 0.810 343 P CB 2.152 33.861 31.700 0.016 0.000 1.008 344 L N 4.341 125.482 121.223 -0.137 0.000 2.476 344 L HA 0.570 4.910 4.340 0.002 0.000 0.269 344 L C -1.516 175.318 176.870 -0.059 0.000 0.965 344 L CA -0.641 54.069 54.840 -0.216 0.000 0.845 344 L CB 0.940 42.900 42.059 -0.165 0.000 1.259 344 L HN 0.477 nan 8.230 nan 0.000 0.403 345 Y N 1.625 121.918 120.300 -0.011 0.000 2.713 345 Y HA 0.623 5.174 4.550 0.002 0.000 0.335 345 Y C 0.825 176.732 175.900 0.011 0.000 1.222 345 Y CA -0.885 57.222 58.100 0.012 0.000 1.061 345 Y CB 0.542 39.016 38.460 0.024 0.000 1.314 345 Y HN 0.386 nan 8.280 nan 0.000 0.453 346 G N 0.347 109.320 108.800 0.288 0.000 2.507 346 G HA2 -0.236 3.725 3.960 0.002 0.000 0.221 346 G HA3 -0.236 3.725 3.960 0.002 0.000 0.221 346 G C 1.068 176.064 174.900 0.161 0.000 1.119 346 G CA 1.591 46.793 45.100 0.170 0.000 0.751 346 G HN 1.076 nan 8.290 nan 0.000 0.574 347 S N -0.724 115.147 115.700 0.285 0.000 2.540 347 S HA 0.380 4.851 4.470 0.002 0.000 0.218 347 S C 0.813 175.502 174.600 0.149 0.000 0.977 347 S CA -0.572 57.753 58.200 0.209 0.000 0.918 347 S CB 0.053 63.381 63.200 0.213 0.000 0.806 347 S HN 0.170 nan 8.310 nan 0.000 0.496 348 L N 2.845 124.075 121.223 0.011 0.000 2.540 348 L HA 0.205 4.546 4.340 0.002 0.000 0.276 348 L C -2.253 174.562 176.870 -0.092 0.000 1.212 348 L CA -1.450 53.292 54.840 -0.163 0.000 0.893 348 L CB 0.247 42.063 42.059 -0.405 0.000 1.138 348 L HN 0.098 nan 8.230 nan 0.000 0.491 349 P HA 0.069 nan 4.420 nan 0.000 0.269 349 P C -2.068 175.145 177.300 -0.144 0.000 1.215 349 P CA -1.103 61.957 63.100 -0.067 0.000 0.780 349 P CB 0.109 31.769 31.700 -0.067 0.000 0.898 350 P HA -0.236 nan 4.420 nan 0.000 0.215 350 P C 1.519 178.820 177.300 0.001 0.000 1.157 350 P CA 1.710 64.811 63.100 0.001 0.000 0.868 350 P CB -0.631 31.128 31.700 0.099 0.000 0.788 351 H N 0.337 119.435 119.070 0.047 0.000 2.265 351 H HA -0.164 4.392 4.556 0.001 0.000 0.295 351 H C 1.652 176.994 175.328 0.023 0.000 1.084 351 H CA 1.620 57.694 56.048 0.044 0.000 1.261 351 H CB -1.279 28.516 29.762 0.054 0.000 1.360 351 H HN 0.210 nan 8.280 nan 0.000 0.487 352 Q N 0.827 120.344 119.800 -0.471 0.000 2.124 352 Q HA -0.143 4.198 4.340 0.002 0.000 0.202 352 Q C 2.599 178.485 176.000 -0.191 0.000 0.977 352 Q CA 1.401 57.031 55.803 -0.288 0.000 0.850 352 Q CB -0.092 28.438 28.738 -0.347 0.000 0.901 352 Q HN 0.668 nan 8.270 nan 0.000 0.429 353 Q N 0.529 120.217 119.800 -0.186 0.000 2.077 353 Q HA -0.268 4.073 4.340 0.002 0.000 0.206 353 Q C 2.068 178.009 176.000 -0.098 0.000 0.989 353 Q CA 1.479 57.192 55.803 -0.150 0.000 0.853 353 Q CB -0.158 28.527 28.738 -0.089 0.000 0.907 353 Q HN 0.214 nan 8.270 nan 0.000 0.418 354 Q N 0.507 120.313 119.800 0.010 0.000 2.291 354 Q HA -0.093 4.248 4.340 0.002 0.000 0.206 354 Q C 1.610 177.631 176.000 0.035 0.000 0.976 354 Q CA 1.194 57.083 55.803 0.143 0.000 0.875 354 Q CB 0.076 28.881 28.738 0.113 0.000 0.927 354 Q HN 0.226 nan 8.270 nan 0.000 0.450 355 R N -0.048 120.381 120.500 -0.119 0.000 2.148 355 R HA -0.067 4.274 4.340 0.002 0.000 0.227 355 R C 2.180 178.043 176.300 -0.728 0.000 1.103 355 R CA 1.338 57.277 56.100 -0.269 0.000 0.983 355 R CB -0.617 29.626 30.300 -0.096 0.000 0.874 355 R HN 0.524 nan 8.270 nan 0.000 0.451 356 I N -2.368 117.780 120.570 -0.703 0.000 2.700 356 I HA -0.145 4.026 4.170 0.002 0.000 0.261 356 I C 0.848 176.482 176.117 -0.804 0.000 1.219 356 I CA 1.390 62.159 61.300 -0.884 0.000 1.463 356 I CB -0.297 37.229 38.000 -0.791 0.000 1.092 356 I HN -0.106 nan 8.210 nan 0.000 0.452 357 F N 1.862 121.623 119.950 -0.315 0.000 2.765 357 F HA 0.296 4.824 4.527 0.001 0.000 0.302 357 F C 1.081 176.772 175.800 -0.182 0.000 1.111 357 F CA -0.392 57.487 58.000 -0.201 0.000 1.359 357 F CB -0.449 38.468 39.000 -0.139 0.000 1.097 357 F HN 0.061 nan 8.300 nan 0.000 0.577 358 E N 2.103 122.215 120.200 -0.147 0.000 2.392 358 E HA 0.083 4.433 4.350 0.002 0.000 0.264 358 E C -2.150 174.436 176.600 -0.025 0.000 1.024 358 E CA -1.898 54.458 56.400 -0.073 0.000 0.903 358 E CB 0.062 29.712 29.700 -0.084 0.000 0.963 358 E HN -0.068 nan 8.360 nan 0.000 0.432 359 P HA -0.036 nan 4.420 nan 0.000 0.266 359 P C -0.899 176.431 177.300 0.050 0.000 1.195 359 P CA 0.053 63.170 63.100 0.029 0.000 0.768 359 P CB 0.531 32.246 31.700 0.026 0.000 0.838 360 A N 5.330 128.177 122.820 0.046 0.000 2.520 360 A HA 0.272 4.593 4.320 0.002 0.000 0.235 360 A C -1.748 175.857 177.584 0.034 0.000 1.065 360 A CA -0.737 51.331 52.037 0.052 0.000 0.764 360 A CB -1.307 17.716 19.000 0.039 0.000 1.002 360 A HN 0.460 nan 8.150 nan 0.000 0.502 361 P HA 0.195 nan 4.420 nan 0.000 0.271 361 P C -0.755 176.525 177.300 -0.034 0.000 1.216 361 P CA -0.014 63.090 63.100 0.007 0.000 0.776 361 P CB 0.487 32.189 31.700 0.002 0.000 0.881 362 E N 0.559 120.713 120.200 -0.076 0.000 2.338 362 E HA 0.259 4.609 4.350 0.002 0.000 0.272 362 E C 0.339 176.740 176.600 -0.331 0.000 1.029 362 E CA -0.273 56.022 56.400 -0.176 0.000 0.872 362 E CB 0.272 29.852 29.700 -0.201 0.000 1.015 362 E HN 0.248 nan 8.360 nan 0.000 0.417 363 S N 1.831 117.367 115.700 -0.273 0.000 2.537 363 S HA 0.172 4.643 4.470 0.002 0.000 0.275 363 S C -0.602 173.766 174.600 -0.386 0.000 1.272 363 S CA -0.626 57.420 58.200 -0.256 0.000 1.050 363 S CB 0.217 63.361 63.200 -0.094 0.000 0.961 363 S HN 0.564 nan 8.310 nan 0.000 0.496 364 H N 3.762 122.838 119.070 0.011 0.000 2.507 364 H HA 0.410 4.967 4.556 0.001 0.000 0.271 364 H C 0.532 175.861 175.328 0.003 0.000 1.224 364 H CA -0.430 55.621 56.048 0.006 0.000 1.000 364 H CB 0.227 29.992 29.762 0.005 0.000 1.663 364 H HN 0.450 nan 8.280 nan 0.000 0.548 365 N N -0.442 118.288 118.700 0.049 0.000 2.200 365 N HA 0.052 4.793 4.740 0.002 0.000 0.233 365 N C 1.574 177.089 175.510 0.008 0.000 1.236 365 N CA 1.020 54.089 53.050 0.031 0.000 0.845 365 N CB 1.192 39.690 38.487 0.017 0.000 1.257 365 N HN 0.510 nan 8.380 nan 0.000 0.472 366 G N 0.821 109.619 108.800 -0.003 0.000 2.241 366 G HA2 -0.230 3.731 3.960 0.002 0.000 0.244 366 G HA3 -0.230 3.731 3.960 0.002 0.000 0.244 366 G C 0.145 175.031 174.900 -0.023 0.000 0.998 366 G CA 0.015 45.109 45.100 -0.010 0.000 0.621 366 G HN 0.276 nan 8.290 nan 0.000 0.519 367 R N 0.923 121.405 120.500 -0.031 0.000 2.604 367 R HA 0.480 4.821 4.340 0.002 0.000 0.287 367 R C -2.713 173.563 176.300 -0.040 0.000 0.970 367 R CA -1.878 54.191 56.100 -0.051 0.000 0.946 367 R CB 1.365 31.616 30.300 -0.081 0.000 1.127 367 R HN 0.056 nan 8.270 nan 0.000 0.473 368 P HA 0.004 nan 4.420 nan 0.000 0.267 368 P C -0.011 177.327 177.300 0.065 0.000 1.205 368 P CA 0.084 63.187 63.100 0.006 0.000 0.765 368 P CB 0.579 32.290 31.700 0.019 0.000 0.828 369 G N 2.876 111.706 108.800 0.049 0.000 2.572 369 G HA2 0.498 4.459 3.960 0.002 0.000 0.261 369 G HA3 0.498 4.459 3.960 0.002 0.000 0.261 369 G C -0.636 174.316 174.900 0.086 0.000 1.197 369 G CA -0.277 44.865 45.100 0.070 0.000 0.870 369 G HN 0.589 nan 8.290 nan 0.000 0.548 370 R N -0.280 120.246 120.500 0.044 0.000 2.664 370 R HA 0.360 4.701 4.340 0.002 0.000 0.260 370 R C -1.404 174.870 176.300 -0.043 0.000 1.062 370 R CA -0.794 55.320 56.100 0.024 0.000 0.902 370 R CB 1.557 31.908 30.300 0.084 0.000 1.258 370 R HN 0.579 nan 8.270 nan 0.000 0.465 371 K N 2.705 123.110 120.400 0.008 0.000 2.164 371 K HA 0.543 4.864 4.320 0.002 0.000 0.258 371 K C -1.371 175.233 176.600 0.006 0.000 0.951 371 K CA -0.650 55.657 56.287 0.034 0.000 0.844 371 K CB 1.885 34.452 32.500 0.112 0.000 1.099 371 K HN 0.293 nan 8.250 nan 0.000 0.435 372 V N 3.854 123.761 119.914 -0.011 0.000 2.444 372 V HA 0.339 4.460 4.120 0.002 0.000 0.294 372 V C -0.641 175.466 176.094 0.022 0.000 1.022 372 V CA -1.042 61.243 62.300 -0.025 0.000 0.850 372 V CB 1.510 33.285 31.823 -0.080 0.000 0.992 372 V HN 0.515 nan 8.190 nan 0.000 0.426 373 V N 6.178 126.084 119.914 -0.014 0.000 2.370 373 V HA 0.478 4.599 4.120 0.002 0.000 0.283 373 V C -0.066 175.971 176.094 -0.095 0.000 1.023 373 V CA -0.331 61.945 62.300 -0.041 0.000 0.857 373 V CB 1.657 33.406 31.823 -0.123 0.000 0.985 373 V HN 0.706 nan 8.190 nan 0.000 0.443 374 I N 4.298 124.833 120.570 -0.059 0.000 2.330 374 I HA 0.440 4.611 4.170 0.002 0.000 0.286 374 I C 0.164 176.256 176.117 -0.040 0.000 1.025 374 I CA 0.237 61.507 61.300 -0.050 0.000 1.197 374 I CB 1.362 39.364 38.000 0.003 0.000 1.358 374 I HN 0.604 nan 8.210 nan 0.000 0.467 375 S N 3.992 119.625 115.700 -0.111 0.000 2.568 375 S HA 0.498 4.969 4.470 0.002 0.000 0.293 375 S C -0.184 174.443 174.600 0.045 0.000 1.089 375 S CA -0.314 57.837 58.200 -0.082 0.000 0.945 375 S CB 2.111 65.172 63.200 -0.232 0.000 1.077 375 S HN 0.613 nan 8.310 nan 0.000 0.485 376 T N 1.532 116.171 114.554 0.140 0.000 2.729 376 T HA 0.158 4.508 4.350 0.002 0.000 0.298 376 T C 1.337 176.230 174.700 0.322 0.000 1.013 376 T CA 0.082 62.316 62.100 0.222 0.000 0.957 376 T CB -0.146 68.838 68.868 0.193 0.000 1.130 376 T HN 0.807 nan 8.240 nan 0.000 0.526 377 N N 0.934 119.821 118.700 0.311 0.000 2.627 377 N HA 0.000 4.741 4.740 0.002 0.000 0.196 377 N C 1.521 177.178 175.510 0.246 0.000 1.268 377 N CA 0.591 53.828 53.050 0.311 0.000 0.904 377 N CB -0.878 37.695 38.487 0.142 0.000 1.016 377 N HN 0.619 nan 8.380 nan 0.000 0.448 378 I N -0.013 120.677 120.570 0.199 0.000 2.264 378 I HA -0.250 3.921 4.170 0.002 0.000 0.248 378 I C 1.956 178.170 176.117 0.163 0.000 1.111 378 I CA 1.416 62.800 61.300 0.140 0.000 1.382 378 I CB -0.285 37.767 38.000 0.086 0.000 1.060 378 I HN 0.324 nan 8.210 nan 0.000 0.418 379 A N -0.458 122.496 122.820 0.223 0.000 2.259 379 A HA -0.056 4.265 4.320 0.002 0.000 0.208 379 A C 2.061 179.895 177.584 0.417 0.000 1.201 379 A CA 0.359 52.523 52.037 0.211 0.000 0.824 379 A CB -0.441 18.544 19.000 -0.024 0.000 0.838 379 A HN 0.438 nan 8.150 nan 0.000 0.485 380 E N -0.199 120.241 120.200 0.401 0.000 2.016 380 E HA -0.132 4.219 4.350 0.002 0.000 0.190 380 E C 1.758 178.454 176.600 0.160 0.000 0.985 380 E CA 1.806 58.338 56.400 0.220 0.000 0.802 380 E CB 0.168 29.901 29.700 0.056 0.000 0.762 380 E HN 0.625 nan 8.360 nan 0.000 0.448 381 T N -3.726 110.926 114.554 0.164 0.000 3.041 381 T HA 0.213 4.564 4.350 0.002 0.000 0.276 381 T C 1.524 176.315 174.700 0.152 0.000 0.948 381 T CA 0.048 62.242 62.100 0.157 0.000 0.885 381 T CB 0.349 69.358 68.868 0.234 0.000 1.175 381 T HN -0.077 nan 8.240 nan 0.000 0.529 382 S N 1.649 117.431 115.700 0.136 0.000 2.436 382 S HA 0.399 4.870 4.470 0.002 0.000 0.228 382 S C 0.387 175.034 174.600 0.077 0.000 1.014 382 S CA 0.464 58.724 58.200 0.100 0.000 0.950 382 S CB -0.441 62.808 63.200 0.080 0.000 0.784 382 S HN 0.760 nan 8.310 nan 0.000 0.504 383 L N -2.286 118.989 121.223 0.087 0.000 2.720 383 L HA 0.798 5.139 4.340 0.002 0.000 0.261 383 L C -0.794 176.136 176.870 0.100 0.000 1.046 383 L CA -0.828 54.065 54.840 0.088 0.000 0.886 383 L CB 1.529 43.653 42.059 0.109 0.000 1.493 383 L HN -0.105 nan 8.230 nan 0.000 0.407 384 T N -0.880 113.748 114.554 0.122 0.000 2.893 384 T HA 0.814 5.165 4.350 0.002 0.000 0.293 384 T C -0.913 173.896 174.700 0.182 0.000 1.027 384 T CA -0.409 61.759 62.100 0.114 0.000 0.988 384 T CB 1.147 70.064 68.868 0.082 0.000 1.043 384 T HN 0.670 nan 8.240 nan 0.000 0.461 385 I N 3.706 124.334 120.570 0.096 0.000 2.328 385 I HA 0.290 4.460 4.170 0.002 0.000 0.287 385 I C -0.065 176.094 176.117 0.070 0.000 1.012 385 I CA -0.827 60.521 61.300 0.080 0.000 1.195 385 I CB 1.062 39.003 38.000 -0.100 0.000 1.350 385 I HN 0.616 nan 8.210 nan 0.000 0.464 386 D N 5.423 125.884 120.400 0.102 0.000 2.488 386 D HA 0.199 4.840 4.640 0.002 0.000 0.238 386 D C 1.142 177.459 176.300 0.030 0.000 1.138 386 D CA 1.280 55.313 54.000 0.056 0.000 0.873 386 D CB 1.265 42.095 40.800 0.050 0.000 1.183 386 D HN 0.927 nan 8.370 nan 0.000 0.458 387 G N 1.873 110.679 108.800 0.011 0.000 2.195 387 G HA2 -0.221 3.740 3.960 0.002 0.000 0.224 387 G HA3 -0.221 3.740 3.960 0.002 0.000 0.224 387 G C 0.397 175.288 174.900 -0.015 0.000 0.990 387 G CA -0.528 44.569 45.100 -0.004 0.000 0.639 387 G HN 0.461 nan 8.290 nan 0.000 0.514 388 I N 1.392 121.954 120.570 -0.013 0.000 2.683 388 I HA 0.227 4.398 4.170 0.002 0.000 0.286 388 I C 1.554 177.622 176.117 -0.081 0.000 1.175 388 I CA 0.534 61.822 61.300 -0.019 0.000 1.429 388 I CB 1.199 39.197 38.000 -0.003 0.000 1.371 388 I HN -0.017 nan 8.210 nan 0.000 0.569 389 V N 6.693 126.503 119.914 -0.174 0.000 3.426 389 V HA 0.125 4.246 4.120 0.002 0.000 0.271 389 V C -0.675 175.055 176.094 -0.608 0.000 1.530 389 V CA 0.062 62.095 62.300 -0.444 0.000 1.021 389 V CB 0.072 31.484 31.823 -0.685 0.000 0.824 389 V HN 0.560 nan 8.190 nan 0.000 0.432 390 Y N -0.532 119.810 120.300 0.070 0.000 2.361 390 Y HA 0.727 5.277 4.550 0.000 0.000 0.337 390 Y C -0.366 175.606 175.900 0.120 0.000 0.965 390 Y CA -1.018 57.157 58.100 0.125 0.000 1.091 390 Y CB 1.904 40.443 38.460 0.132 0.000 1.182 390 Y HN -0.210 nan 8.280 nan 0.000 0.450 391 V N 4.169 124.262 119.914 0.299 0.000 2.513 391 V HA 0.557 4.678 4.120 0.002 0.000 0.299 391 V C -0.639 175.639 176.094 0.306 0.000 1.035 391 V CA -0.943 61.513 62.300 0.260 0.000 0.889 391 V CB 2.017 33.992 31.823 0.253 0.000 0.988 391 V HN 0.540 nan 8.190 nan 0.000 0.440 392 V N 3.271 123.334 119.914 0.248 0.000 2.384 392 V HA 0.442 4.563 4.120 0.002 0.000 0.287 392 V C -0.700 175.546 176.094 0.254 0.000 1.020 392 V CA -0.408 62.022 62.300 0.217 0.000 0.850 392 V CB 1.748 33.633 31.823 0.104 0.000 0.987 392 V HN 0.937 nan 8.190 nan 0.000 0.436 393 D N 6.545 127.065 120.400 0.199 0.000 2.446 393 D HA 0.446 5.086 4.640 0.002 0.000 0.251 393 D C -1.952 174.467 176.300 0.198 0.000 1.137 393 D CA -2.043 52.077 54.000 0.200 0.000 0.890 393 D CB 2.433 43.313 40.800 0.132 0.000 1.071 393 D HN 0.165 nan 8.370 nan 0.000 0.528 394 P HA 0.128 nan 4.420 nan 0.000 0.223 394 P C 0.712 178.108 177.300 0.159 0.000 1.151 394 P CA 1.038 64.211 63.100 0.122 0.000 0.787 394 P CB 0.353 31.946 31.700 -0.179 0.000 0.788 395 G N -3.183 105.657 108.800 0.066 0.000 2.131 395 G HA2 -0.208 3.753 3.960 0.002 0.000 0.223 395 G HA3 -0.208 3.753 3.960 0.002 0.000 0.223 395 G C -0.170 174.366 174.900 -0.607 0.000 0.990 395 G CA -0.602 44.346 45.100 -0.253 0.000 0.671 395 G HN 0.227 nan 8.290 nan 0.000 0.521 396 F N 0.701 120.570 119.950 -0.135 0.000 2.577 396 F HA 0.801 5.329 4.527 0.001 0.000 0.318 396 F C 0.526 176.306 175.800 -0.033 0.000 1.065 396 F CA -0.143 57.800 58.000 -0.094 0.000 0.929 396 F CB 2.530 41.441 39.000 -0.149 0.000 1.237 396 F HN 0.476 nan 8.300 nan 0.000 0.468 397 S N 0.487 116.314 115.700 0.211 0.000 2.596 397 S HA 0.484 4.955 4.470 0.002 0.000 0.270 397 S C -1.493 173.202 174.600 0.159 0.000 1.155 397 S CA -1.240 57.054 58.200 0.157 0.000 0.827 397 S CB 1.942 65.199 63.200 0.095 0.000 1.130 397 S HN 0.610 nan 8.310 nan 0.000 0.467 398 K N 1.037 121.517 120.400 0.133 0.000 2.285 398 K HA 0.311 4.631 4.320 0.002 0.000 0.286 398 K C -0.803 175.858 176.600 0.102 0.000 1.072 398 K CA -0.032 56.324 56.287 0.116 0.000 0.913 398 K CB 0.409 32.969 32.500 0.099 0.000 1.067 398 K HN 0.640 nan 8.250 nan 0.000 0.479 399 Q N 2.970 122.831 119.800 0.102 0.000 2.353 399 Q HA 0.227 4.568 4.340 0.002 0.000 0.268 399 Q C -1.104 174.949 176.000 0.089 0.000 1.045 399 Q CA -0.869 54.989 55.803 0.091 0.000 0.811 399 Q CB 2.593 31.385 28.738 0.091 0.000 1.305 399 Q HN 0.367 nan 8.270 nan 0.000 0.447 400 K N 1.799 122.248 120.400 0.081 0.000 2.368 400 K HA 0.332 4.653 4.320 0.002 0.000 0.282 400 K C -1.157 175.497 176.600 0.090 0.000 1.035 400 K CA -0.069 56.267 56.287 0.082 0.000 0.973 400 K CB 0.624 33.164 32.500 0.066 0.000 0.957 400 K HN 0.367 nan 8.250 nan 0.000 0.474 401 V N 4.965 124.940 119.914 0.102 0.000 2.735 401 V HA 0.306 4.427 4.120 0.002 0.000 0.310 401 V C -1.373 174.811 176.094 0.149 0.000 1.061 401 V CA -0.882 61.480 62.300 0.103 0.000 0.913 401 V CB 1.602 33.472 31.823 0.079 0.000 1.005 401 V HN 0.729 nan 8.190 nan 0.000 0.428 402 Y N 3.619 123.906 120.300 -0.022 0.000 2.468 402 Y HA 0.528 5.079 4.550 0.001 0.000 0.342 402 Y C -0.153 175.717 175.900 -0.050 0.000 1.021 402 Y CA -1.158 56.919 58.100 -0.037 0.000 1.079 402 Y CB 1.985 40.413 38.460 -0.053 0.000 1.226 402 Y HN 0.691 nan 8.280 nan 0.000 0.460 403 N N 6.486 124.711 118.700 -0.792 0.000 2.524 403 N HA 0.323 5.064 4.740 0.002 0.000 0.261 403 N C -2.373 172.625 175.510 -0.854 0.000 0.998 403 N CA -2.042 50.644 53.050 -0.608 0.000 0.915 403 N CB 1.764 40.043 38.487 -0.347 0.000 1.187 403 N HN 0.355 nan 8.380 nan 0.000 0.507 404 P HA -0.100 nan 4.420 nan 0.000 0.218 404 P C 0.643 177.811 177.300 -0.221 0.000 1.149 404 P CA 1.081 63.983 63.100 -0.331 0.000 0.817 404 P CB 0.277 31.911 31.700 -0.110 0.000 0.785 405 R N -0.480 119.899 120.500 -0.201 0.000 2.193 405 R HA 0.125 4.466 4.340 0.002 0.000 0.213 405 R C 2.171 178.382 176.300 -0.148 0.000 1.055 405 R CA 1.007 57.025 56.100 -0.136 0.000 0.995 405 R CB -0.690 29.546 30.300 -0.107 0.000 0.893 405 R HN 0.315 nan 8.270 nan 0.000 0.459 406 I N -0.620 119.820 120.570 -0.216 0.000 4.181 406 I HA 0.158 4.329 4.170 0.002 0.000 0.331 406 I C 0.208 176.158 176.117 -0.278 0.000 1.312 406 I CA -0.295 60.866 61.300 -0.232 0.000 1.146 406 I CB 0.521 38.370 38.000 -0.250 0.000 1.074 406 I HN 0.025 nan 8.210 nan 0.000 0.402 407 R N 1.067 121.375 120.500 -0.319 0.000 3.144 407 R HA -0.127 4.214 4.340 0.002 0.000 0.255 407 R C -1.898 174.297 176.300 -0.175 0.000 0.949 407 R CA 0.643 56.608 56.100 -0.225 0.000 0.649 407 R CB -1.325 28.939 30.300 -0.061 0.000 1.229 407 R HN 0.317 nan 8.270 nan 0.000 0.440 408 V N 1.666 121.395 119.914 -0.309 0.000 2.924 408 V HA 0.293 4.414 4.120 0.002 0.000 0.300 408 V C -0.397 175.729 176.094 0.052 0.000 1.227 408 V CA -0.778 61.471 62.300 -0.086 0.000 0.954 408 V CB 2.093 33.744 31.823 -0.287 0.000 1.055 408 V HN 0.463 nan 8.190 nan 0.000 0.429 409 E N 2.425 122.767 120.200 0.237 0.000 2.345 409 E HA 0.716 5.067 4.350 0.002 0.000 0.259 409 E C -0.578 176.110 176.600 0.148 0.000 1.117 409 E CA -0.072 56.466 56.400 0.230 0.000 0.913 409 E CB 1.618 31.427 29.700 0.182 0.000 1.057 409 E HN 0.852 nan 8.360 nan 0.000 0.432 410 S N 0.460 116.240 115.700 0.133 0.000 2.560 410 S HA 0.284 4.755 4.470 0.002 0.000 0.283 410 S C -1.074 173.591 174.600 0.108 0.000 1.141 410 S CA -0.933 57.342 58.200 0.125 0.000 0.902 410 S CB 0.385 63.664 63.200 0.132 0.000 1.104 410 S HN 0.338 nan 8.310 nan 0.000 0.454 411 L N 2.947 124.229 121.223 0.099 0.000 2.278 411 L HA 0.505 4.846 4.340 0.002 0.000 0.287 411 L C -1.091 175.833 176.870 0.091 0.000 1.072 411 L CA -0.704 54.190 54.840 0.089 0.000 0.819 411 L CB 0.776 42.882 42.059 0.078 0.000 1.176 411 L HN 0.528 nan 8.230 nan 0.000 0.435 412 L N 3.970 125.251 121.223 0.097 0.000 2.354 412 L HA 0.461 4.802 4.340 0.002 0.000 0.269 412 L C -0.046 176.896 176.870 0.119 0.000 1.005 412 L CA -0.591 54.311 54.840 0.103 0.000 0.819 412 L CB 2.264 44.386 42.059 0.105 0.000 1.311 412 L HN 0.113 nan 8.230 nan 0.000 0.423 413 V N 2.572 122.560 119.914 0.124 0.000 2.439 413 V HA 0.488 4.609 4.120 0.002 0.000 0.271 413 V C 0.128 176.365 176.094 0.239 0.000 1.040 413 V CA 0.116 62.515 62.300 0.165 0.000 1.002 413 V CB 0.600 32.497 31.823 0.123 0.000 1.000 413 V HN 0.887 nan 8.190 nan 0.000 0.477 414 S N 6.156 122.038 115.700 0.303 0.000 2.588 414 S HA 0.586 5.057 4.470 0.002 0.000 0.275 414 S C -2.884 171.873 174.600 0.261 0.000 1.130 414 S CA -1.283 57.099 58.200 0.304 0.000 0.855 414 S CB 2.269 65.568 63.200 0.164 0.000 1.116 414 S HN 0.449 nan 8.310 nan 0.000 0.472 415 P HA 0.152 nan 4.420 nan 0.000 0.265 415 P C -0.183 177.000 177.300 -0.196 0.000 1.193 415 P CA -0.184 62.717 63.100 -0.331 0.000 0.765 415 P CB 0.022 31.568 31.700 -0.258 0.000 0.823 416 I N -0.423 119.990 120.570 -0.262 0.000 3.021 416 I HA 0.386 4.557 4.170 0.002 0.000 0.303 416 I C 0.483 176.519 176.117 -0.134 0.000 1.044 416 I CA -0.660 60.552 61.300 -0.146 0.000 1.266 416 I CB 0.871 38.787 38.000 -0.140 0.000 1.447 416 I HN 0.278 nan 8.210 nan 0.000 0.593 417 S N 2.107 117.757 115.700 -0.084 0.000 2.614 417 S HA 0.176 4.647 4.470 0.002 0.000 0.265 417 S C 0.815 175.372 174.600 -0.072 0.000 1.303 417 S CA -0.492 57.659 58.200 -0.082 0.000 1.000 417 S CB 1.524 64.687 63.200 -0.062 0.000 0.935 417 S HN 0.861 nan 8.310 nan 0.000 0.551 418 K N 0.706 121.045 120.400 -0.101 0.000 2.057 418 K HA -0.085 4.236 4.320 0.002 0.000 0.207 418 K C 2.289 178.898 176.600 0.015 0.000 1.049 418 K CA 1.216 57.443 56.287 -0.100 0.000 0.931 418 K CB -0.869 31.461 32.500 -0.284 0.000 0.714 418 K HN 0.773 nan 8.250 nan 0.000 0.440 419 A N 0.523 123.331 122.820 -0.021 0.000 1.908 419 A HA -0.174 4.147 4.320 0.002 0.000 0.218 419 A C 2.192 179.784 177.584 0.014 0.000 1.181 419 A CA 2.171 54.210 52.037 0.003 0.000 0.627 419 A CB -0.733 18.259 19.000 -0.015 0.000 0.818 419 A HN 0.341 nan 8.150 nan 0.000 0.445 420 S N -0.468 115.229 115.700 -0.005 0.000 2.368 420 S HA -0.044 4.427 4.470 0.002 0.000 0.225 420 S C 2.317 176.894 174.600 -0.039 0.000 1.030 420 S CA 1.197 59.377 58.200 -0.034 0.000 0.999 420 S CB -0.465 62.701 63.200 -0.057 0.000 0.844 420 S HN 0.814 nan 8.310 nan 0.000 0.459 421 A N 1.162 124.007 122.820 0.042 0.000 1.908 421 A HA -0.207 4.114 4.320 0.002 0.000 0.218 421 A C 2.076 179.724 177.584 0.107 0.000 1.181 421 A CA 1.610 53.721 52.037 0.125 0.000 0.627 421 A CB -0.659 18.570 19.000 0.381 0.000 0.818 421 A HN 0.557 nan 8.150 nan 0.000 0.445 422 Q N -0.956 118.936 119.800 0.154 0.000 2.084 422 Q HA -0.200 4.141 4.340 0.002 0.000 0.202 422 Q C 2.385 178.403 176.000 0.029 0.000 0.978 422 Q CA 1.534 57.400 55.803 0.105 0.000 0.844 422 Q CB -0.178 28.634 28.738 0.123 0.000 0.898 422 Q HN 0.616 nan 8.270 nan 0.000 0.426 423 Q N 0.445 120.247 119.800 0.003 0.000 2.084 423 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 423 Q C 2.040 178.028 176.000 -0.019 0.000 0.978 423 Q CA 1.352 57.146 55.803 -0.014 0.000 0.844 423 Q CB -0.208 28.516 28.738 -0.023 0.000 0.898 423 Q HN 0.369 nan 8.270 nan 0.000 0.426 424 R N 0.298 120.736 120.500 -0.103 0.000 2.083 424 R HA -0.108 4.233 4.340 0.002 0.000 0.237 424 R C 2.286 178.616 176.300 0.050 0.000 1.137 424 R CA 1.358 57.373 56.100 -0.142 0.000 0.951 424 R CB -0.445 29.597 30.300 -0.429 0.000 0.851 424 R HN 0.230 nan 8.270 nan 0.000 0.434 425 A N 0.723 123.547 122.820 0.007 0.000 1.933 425 A HA -0.068 4.252 4.320 0.002 0.000 0.218 425 A C 2.406 180.006 177.584 0.026 0.000 1.175 425 A CA 1.643 53.682 52.037 0.004 0.000 0.628 425 A CB -1.096 17.869 19.000 -0.059 0.000 0.814 425 A HN 0.479 nan 8.150 nan 0.000 0.444 426 G N -0.331 108.486 108.800 0.028 0.000 2.450 426 G HA2 -0.252 3.709 3.960 0.002 0.000 0.220 426 G HA3 -0.252 3.709 3.960 0.002 0.000 0.220 426 G C 1.533 176.467 174.900 0.058 0.000 1.130 426 G CA 0.785 45.906 45.100 0.034 0.000 0.760 426 G HN 0.415 nan 8.290 nan 0.000 0.557 427 R N 0.841 121.396 120.500 0.092 0.000 2.193 427 R HA 0.034 4.375 4.340 0.002 0.000 0.229 427 R C 2.584 178.930 176.300 0.076 0.000 1.110 427 R CA 0.968 57.133 56.100 0.109 0.000 0.988 427 R CB -0.995 29.417 30.300 0.187 0.000 0.871 427 R HN 0.383 nan 8.270 nan 0.000 0.458 428 A N 0.191 123.048 122.820 0.063 0.000 2.167 428 A HA 0.108 4.429 4.320 0.002 0.000 0.214 428 A C 1.746 179.327 177.584 -0.005 0.000 1.151 428 A CA 1.134 53.180 52.037 0.015 0.000 0.735 428 A CB -0.086 18.922 19.000 0.013 0.000 0.802 428 A HN 0.340 nan 8.150 nan 0.000 0.467 429 G N -1.546 107.280 108.800 0.043 0.000 3.690 429 G HA2 0.173 4.134 3.960 0.002 0.000 0.283 429 G HA3 0.173 4.134 3.960 0.002 0.000 0.283 429 G C 1.122 176.132 174.900 0.183 0.000 1.057 429 G CA -0.042 45.118 45.100 0.100 0.000 0.821 429 G HN 0.346 nan 8.290 nan 0.000 0.526 430 R N 0.302 120.874 120.500 0.120 0.000 2.090 430 R HA -0.056 4.285 4.340 0.002 0.000 0.228 430 R C 2.566 178.990 176.300 0.206 0.000 1.110 430 R CA 1.950 58.132 56.100 0.136 0.000 0.973 430 R CB 0.005 30.353 30.300 0.079 0.000 0.869 430 R HN 0.435 nan 8.270 nan 0.000 0.440 431 T N -2.216 112.404 114.554 0.110 0.000 3.042 431 T HA 0.103 4.454 4.350 0.002 0.000 0.245 431 T C 0.883 175.436 174.700 -0.244 0.000 1.029 431 T CA -0.296 61.825 62.100 0.034 0.000 1.120 431 T CB 0.286 69.137 68.868 -0.028 0.000 0.917 431 T HN 0.318 nan 8.240 nan 0.000 0.467 432 R N 0.033 120.284 120.500 -0.415 0.000 2.741 432 R HA 0.537 4.878 4.340 0.002 0.000 0.274 432 R C -3.450 172.576 176.300 -0.456 0.000 1.029 432 R CA -1.854 53.736 56.100 -0.850 0.000 0.880 432 R CB -0.139 29.872 30.300 -0.482 0.000 1.264 432 R HN -0.159 nan 8.270 nan 0.000 0.465 433 P HA 0.105 nan 4.420 nan 0.000 0.261 433 P C -0.629 176.600 177.300 -0.119 0.000 1.183 433 P CA 0.544 63.585 63.100 -0.100 0.000 0.761 433 P CB 0.781 32.441 31.700 -0.067 0.000 0.785 434 G N 2.590 111.344 108.800 -0.078 0.000 3.140 434 G HA2 0.702 4.663 3.960 0.002 0.000 0.271 434 G HA3 0.702 4.663 3.960 0.002 0.000 0.271 434 G C -1.281 173.589 174.900 -0.050 0.000 1.370 434 G CA -0.765 44.253 45.100 -0.137 0.000 1.014 434 G HN 0.309 nan 8.290 nan 0.000 0.541 435 K N -1.421 118.966 120.400 -0.021 0.000 2.464 435 K HA 0.540 4.861 4.320 0.002 0.000 0.253 435 K C -1.825 174.771 176.600 -0.006 0.000 0.933 435 K CA -0.560 55.744 56.287 0.027 0.000 0.801 435 K CB 2.469 35.050 32.500 0.134 0.000 1.271 435 K HN 0.472 nan 8.250 nan 0.000 0.430 436 C N 3.258 122.462 119.300 -0.160 0.000 2.364 436 C HA 0.597 5.058 4.460 0.002 0.000 0.324 436 C C -1.313 173.490 174.990 -0.311 0.000 1.234 436 C CA -0.740 58.207 59.018 -0.118 0.000 1.417 436 C CB -0.608 27.070 27.740 -0.104 0.000 2.101 436 C HN 0.778 nan 8.230 nan 0.000 0.466 437 F N 5.395 125.309 119.950 -0.060 0.000 2.334 437 F HA 0.509 5.037 4.527 0.000 0.000 0.367 437 F C 0.946 176.633 175.800 -0.189 0.000 1.115 437 F CA -0.297 57.633 58.000 -0.116 0.000 1.116 437 F CB 0.635 39.564 39.000 -0.118 0.000 1.230 437 F HN 0.383 nan 8.300 nan 0.000 0.484 438 R N 3.875 124.201 120.500 -0.289 0.000 2.221 438 R HA 0.383 4.723 4.340 0.002 0.000 0.327 438 R C -0.031 176.005 176.300 -0.439 0.000 1.033 438 R CA -0.520 55.236 56.100 -0.574 0.000 0.887 438 R CB 0.997 30.581 30.300 -1.192 0.000 1.057 438 R HN 0.699 nan 8.270 nan 0.000 0.455 439 L N 5.627 126.742 121.223 -0.180 0.000 2.955 439 L HA 0.184 4.525 4.340 0.002 0.000 0.238 439 L C -0.703 176.295 176.870 0.213 0.000 1.359 439 L CA -0.175 54.705 54.840 0.066 0.000 1.214 439 L CB -1.190 40.975 42.059 0.177 0.000 1.600 439 L HN 0.655 nan 8.230 nan 0.000 0.442 440 Y N -3.214 117.188 120.300 0.171 0.000 2.725 440 Y HA 0.554 5.105 4.550 0.002 0.000 0.333 440 Y C 0.113 176.192 175.900 0.298 0.000 1.242 440 Y CA -1.651 56.576 58.100 0.211 0.000 1.059 440 Y CB 0.459 39.035 38.460 0.192 0.000 1.306 440 Y HN -0.009 nan 8.280 nan 0.000 0.454 441 T N -2.491 112.338 114.554 0.459 0.000 2.904 441 T HA 0.202 4.553 4.350 0.002 0.000 0.290 441 T C 0.721 175.503 174.700 0.137 0.000 1.018 441 T CA 0.091 62.349 62.100 0.263 0.000 1.075 441 T CB 1.699 70.681 68.868 0.190 0.000 0.986 441 T HN 0.974 nan 8.240 nan 0.000 0.523 442 E N 0.510 120.498 120.200 -0.353 0.000 2.118 442 E HA -0.227 4.124 4.350 0.002 0.000 0.195 442 E C 1.912 178.419 176.600 -0.155 0.000 0.992 442 E CA 1.454 57.376 56.400 -0.796 0.000 0.804 442 E CB -0.036 29.131 29.700 -0.888 0.000 0.741 442 E HN 0.884 nan 8.360 nan 0.000 0.458 443 E N -0.226 119.944 120.200 -0.050 0.000 2.051 443 E HA -0.233 4.118 4.350 0.002 0.000 0.192 443 E C 1.985 178.626 176.600 0.069 0.000 0.991 443 E CA 1.061 57.469 56.400 0.014 0.000 0.799 443 E CB -0.190 29.522 29.700 0.020 0.000 0.748 443 E HN 0.365 nan 8.360 nan 0.000 0.449 444 A N 0.634 123.537 122.820 0.138 0.000 1.908 444 A HA -0.219 4.102 4.320 0.002 0.000 0.218 444 A C 2.013 179.686 177.584 0.149 0.000 1.181 444 A CA 1.558 53.682 52.037 0.145 0.000 0.627 444 A CB -0.929 18.203 19.000 0.221 0.000 0.818 444 A HN 0.532 nan 8.150 nan 0.000 0.445 445 F N 0.233 120.278 119.950 0.159 0.000 2.186 445 F HA -0.150 4.378 4.527 0.002 0.000 0.299 445 F C 2.346 178.184 175.800 0.064 0.000 1.090 445 F CA 2.025 60.133 58.000 0.181 0.000 1.307 445 F CB -0.053 39.199 39.000 0.420 0.000 1.019 445 F HN 0.189 nan 8.300 nan 0.000 0.489 446 Q N 0.266 120.058 119.800 -0.014 0.000 2.212 446 Q HA -0.023 4.318 4.340 0.002 0.000 0.199 446 Q C 1.759 177.675 176.000 -0.140 0.000 0.950 446 Q CA 1.204 56.925 55.803 -0.136 0.000 0.863 446 Q CB 0.011 28.745 28.738 -0.005 0.000 0.944 446 Q HN 0.494 nan 8.270 nan 0.000 0.465 447 K N -0.554 119.795 120.400 -0.084 0.000 2.474 447 K HA 0.144 4.465 4.320 0.002 0.000 0.202 447 K C 1.583 178.141 176.600 -0.069 0.000 1.248 447 K CA 0.064 56.309 56.287 -0.069 0.000 0.946 447 K CB 0.853 33.330 32.500 -0.037 0.000 1.102 447 K HN 0.084 nan 8.250 nan 0.000 0.541 448 E N 1.197 121.359 120.200 -0.063 0.000 2.057 448 E HA 0.091 4.442 4.350 0.002 0.000 0.190 448 E C 0.347 176.891 176.600 -0.093 0.000 0.969 448 E CA 0.149 56.513 56.400 -0.061 0.000 0.812 448 E CB 0.210 29.888 29.700 -0.036 0.000 0.777 448 E HN 0.073 nan 8.360 nan 0.000 0.455 449 L N 3.646 124.787 121.223 -0.136 0.000 2.540 449 L HA 0.067 4.408 4.340 0.002 0.000 0.276 449 L C 0.838 177.622 176.870 -0.143 0.000 1.212 449 L CA -0.285 54.458 54.840 -0.161 0.000 0.893 449 L CB -0.258 41.678 42.059 -0.205 0.000 1.138 449 L HN 0.250 nan 8.230 nan 0.000 0.491 450 I N -0.595 119.911 120.570 -0.107 0.000 2.892 450 I HA -0.020 4.151 4.170 0.002 0.000 0.287 450 I C 1.128 177.172 176.117 -0.122 0.000 1.205 450 I CA -0.350 60.893 61.300 -0.095 0.000 1.409 450 I CB 0.645 38.609 38.000 -0.060 0.000 1.367 450 I HN 0.623 nan 8.210 nan 0.000 0.597 451 E N 2.428 122.553 120.200 -0.125 0.000 2.031 451 E HA -0.170 4.181 4.350 0.002 0.000 0.193 451 E C 0.344 176.875 176.600 -0.115 0.000 0.994 451 E CA 1.629 57.953 56.400 -0.128 0.000 0.800 451 E CB 0.130 29.761 29.700 -0.115 0.000 0.752 451 E HN 0.770 nan 8.360 nan 0.000 0.447 452 Q N -1.128 118.590 119.800 -0.137 0.000 2.345 452 Q HA 0.412 4.753 4.340 0.002 0.000 0.275 452 Q C -1.397 174.497 176.000 -0.176 0.000 1.063 452 Q CA -0.505 55.221 55.803 -0.129 0.000 0.819 452 Q CB 2.162 30.822 28.738 -0.129 0.000 1.356 452 Q HN 0.015 nan 8.270 nan 0.000 0.418 453 S N 1.828 117.467 115.700 -0.100 0.000 2.585 453 S HA 0.317 4.788 4.470 0.002 0.000 0.273 453 S C -0.725 173.817 174.600 -0.098 0.000 1.339 453 S CA -0.258 57.907 58.200 -0.058 0.000 1.028 453 S CB 0.144 63.356 63.200 0.020 0.000 0.906 453 S HN 0.453 nan 8.310 nan 0.000 0.528 454 Y N 1.825 122.130 120.300 0.008 0.000 2.397 454 Y HA 0.240 4.791 4.550 0.002 0.000 0.335 454 Y C -1.845 174.054 175.900 -0.000 0.000 1.213 454 Y CA -1.712 56.389 58.100 0.003 0.000 1.391 454 Y CB -0.173 38.287 38.460 -0.001 0.000 1.293 454 Y HN 0.438 nan 8.280 nan 0.000 0.557 455 P HA -0.073 nan 4.420 nan 0.000 0.266 455 P C 0.596 177.924 177.300 0.046 0.000 1.195 455 P CA 0.170 63.312 63.100 0.070 0.000 0.768 455 P CB 0.646 32.365 31.700 0.032 0.000 0.838 456 E N 2.496 122.707 120.200 0.018 0.000 2.130 456 E HA -0.225 4.126 4.350 0.002 0.000 0.196 456 E C 1.558 178.120 176.600 -0.064 0.000 0.998 456 E CA 0.863 57.259 56.400 -0.006 0.000 0.806 456 E CB -0.214 29.482 29.700 -0.007 0.000 0.738 456 E HN 0.451 nan 8.360 nan 0.000 0.459 457 I N 0.561 121.068 120.570 -0.106 0.000 2.567 457 I HA -0.233 3.938 4.170 0.002 0.000 0.257 457 I C 1.463 177.457 176.117 -0.204 0.000 1.184 457 I CA 0.876 62.051 61.300 -0.208 0.000 1.451 457 I CB 0.171 37.966 38.000 -0.343 0.000 1.089 457 I HN 0.167 nan 8.210 nan 0.000 0.441 458 L N 0.191 121.340 121.223 -0.123 0.000 2.592 458 L HA 0.155 4.496 4.340 0.002 0.000 0.227 458 L C 1.179 177.997 176.870 -0.086 0.000 1.127 458 L CA 0.129 54.904 54.840 -0.109 0.000 0.884 458 L CB -0.186 41.834 42.059 -0.066 0.000 1.065 458 L HN 0.078 nan 8.230 nan 0.000 0.457 459 R N -1.057 119.397 120.500 -0.077 0.000 2.668 459 R HA 0.306 4.647 4.340 0.002 0.000 0.435 459 R C -0.307 175.947 176.300 -0.077 0.000 1.059 459 R CA -0.060 56.039 56.100 -0.002 0.000 1.073 459 R CB 1.234 31.555 30.300 0.035 0.000 1.401 459 R HN -0.061 nan 8.270 nan 0.000 0.590 460 S N 0.704 116.211 115.700 -0.321 0.000 2.536 460 S HA 0.252 4.723 4.470 0.002 0.000 0.287 460 S C -1.034 173.077 174.600 -0.814 0.000 1.101 460 S CA -0.799 57.155 58.200 -0.410 0.000 0.950 460 S CB 1.616 64.662 63.200 -0.256 0.000 1.056 460 S HN 0.304 nan 8.310 nan 0.000 0.481 461 N N 3.078 121.410 118.700 -0.614 0.000 2.513 461 N HA 0.165 4.905 4.740 0.002 0.000 0.268 461 N C -0.223 175.130 175.510 -0.262 0.000 1.180 461 N CA 0.103 52.890 53.050 -0.438 0.000 0.948 461 N CB 0.515 38.921 38.487 -0.135 0.000 1.083 461 N HN 0.647 nan 8.380 nan 0.000 0.455 462 L N 2.531 123.629 121.223 -0.208 0.000 2.965 462 L HA 0.080 4.421 4.340 0.002 0.000 0.254 462 L C 1.950 178.764 176.870 -0.093 0.000 1.220 462 L CA -0.183 54.566 54.840 -0.152 0.000 1.023 462 L CB 0.001 41.966 42.059 -0.156 0.000 1.355 462 L HN 0.630 nan 8.230 nan 0.000 0.545 463 S N -1.562 114.090 115.700 -0.080 0.000 2.371 463 S HA -0.168 4.303 4.470 0.002 0.000 0.224 463 S C 2.112 176.680 174.600 -0.052 0.000 1.029 463 S CA 1.496 59.661 58.200 -0.059 0.000 0.978 463 S CB -0.069 63.095 63.200 -0.060 0.000 0.833 463 S HN 0.314 nan 8.310 nan 0.000 0.466 464 S N 1.079 116.749 115.700 -0.051 0.000 2.368 464 S HA -0.088 4.383 4.470 0.002 0.000 0.225 464 S C 1.989 176.565 174.600 -0.040 0.000 1.030 464 S CA 1.872 60.049 58.200 -0.038 0.000 0.999 464 S CB -1.110 62.073 63.200 -0.028 0.000 0.844 464 S HN 0.766 nan 8.310 nan 0.000 0.459 465 T N 1.434 115.958 114.554 -0.051 0.000 2.788 465 T HA -0.060 4.291 4.350 0.002 0.000 0.268 465 T C 1.810 176.476 174.700 -0.057 0.000 1.044 465 T CA 1.376 63.447 62.100 -0.049 0.000 1.139 465 T CB -0.345 68.492 68.868 -0.053 0.000 0.867 465 T HN 0.223 nan 8.240 nan 0.000 0.454 466 V N 1.379 121.261 119.914 -0.053 0.000 2.307 466 V HA -0.091 4.029 4.120 0.002 0.000 0.245 466 V C 2.379 178.442 176.094 -0.052 0.000 1.045 466 V CA 1.211 63.480 62.300 -0.052 0.000 1.024 466 V CB -0.631 31.169 31.823 -0.038 0.000 0.651 466 V HN 0.326 nan 8.190 nan 0.000 0.449 467 L N 0.365 121.564 121.223 -0.041 0.000 2.042 467 L HA -0.192 4.149 4.340 0.002 0.000 0.210 467 L C 2.340 179.189 176.870 -0.036 0.000 1.076 467 L CA 1.992 56.813 54.840 -0.031 0.000 0.749 467 L CB -0.703 41.343 42.059 -0.021 0.000 0.893 467 L HN 0.390 nan 8.230 nan 0.000 0.432 468 E N -0.638 119.535 120.200 -0.044 0.000 2.031 468 E HA -0.229 4.122 4.350 0.002 0.000 0.193 468 E C 2.260 178.805 176.600 -0.091 0.000 0.994 468 E CA 1.657 58.026 56.400 -0.051 0.000 0.800 468 E CB -0.317 29.355 29.700 -0.046 0.000 0.752 468 E HN 0.488 nan 8.360 nan 0.000 0.447 469 L N 0.930 122.071 121.223 -0.137 0.000 2.042 469 L HA -0.215 4.126 4.340 0.002 0.000 0.210 469 L C 2.413 179.198 176.870 -0.142 0.000 1.076 469 L CA 0.945 55.657 54.840 -0.214 0.000 0.749 469 L CB -0.421 41.459 42.059 -0.298 0.000 0.893 469 L HN 0.042 nan 8.230 nan 0.000 0.432 470 K N 0.044 120.391 120.400 -0.088 0.000 2.057 470 K HA -0.153 4.168 4.320 0.002 0.000 0.207 470 K C 2.110 178.689 176.600 -0.034 0.000 1.049 470 K CA 1.027 57.284 56.287 -0.050 0.000 0.931 470 K CB -0.261 32.222 32.500 -0.027 0.000 0.714 470 K HN 0.106 nan 8.250 nan 0.000 0.440 471 K N 1.135 121.518 120.400 -0.029 0.000 2.148 471 K HA -0.009 4.311 4.320 0.002 0.000 0.204 471 K C 1.941 178.542 176.600 0.001 0.000 1.050 471 K CA 0.699 56.994 56.287 0.014 0.000 0.942 471 K CB -0.133 32.380 32.500 0.022 0.000 0.724 471 K HN 0.143 nan 8.250 nan 0.000 0.446 472 L N -0.236 120.903 121.223 -0.140 0.000 2.610 472 L HA 0.032 4.373 4.340 0.002 0.000 0.232 472 L C 0.988 177.551 176.870 -0.512 0.000 1.149 472 L CA 0.563 55.143 54.840 -0.434 0.000 0.872 472 L CB -0.195 41.690 42.059 -0.290 0.000 0.992 472 L HN 0.333 nan 8.230 nan 0.000 0.447 473 G N 0.902 109.593 108.800 -0.182 0.000 2.160 473 G HA2 -0.283 3.678 3.960 0.002 0.000 0.244 473 G HA3 -0.283 3.678 3.960 0.002 0.000 0.244 473 G C 0.070 174.941 174.900 -0.049 0.000 1.022 473 G CA -0.259 44.804 45.100 -0.062 0.000 0.741 473 G HN 0.302 nan 8.290 nan 0.000 0.508 474 I N 0.939 121.471 120.570 -0.063 0.000 2.301 474 I HA 0.275 4.446 4.170 0.002 0.000 0.292 474 I C 0.742 176.858 176.117 -0.001 0.000 1.046 474 I CA -0.769 60.523 61.300 -0.014 0.000 1.282 474 I CB 1.038 39.016 38.000 -0.038 0.000 1.409 474 I HN -0.037 nan 8.210 nan 0.000 0.484 475 D N 2.907 123.322 120.400 0.026 0.000 2.197 475 D HA -0.069 4.572 4.640 0.002 0.000 0.212 475 D C 0.649 176.976 176.300 0.046 0.000 0.963 475 D CA 1.075 55.092 54.000 0.028 0.000 0.864 475 D CB 0.103 40.921 40.800 0.030 0.000 1.009 475 D HN 0.439 nan 8.370 nan 0.000 0.479 476 D N 1.199 121.643 120.400 0.073 0.000 2.508 476 D HA 0.068 4.708 4.640 0.002 0.000 0.224 476 D C 1.422 177.796 176.300 0.122 0.000 1.171 476 D CA -0.060 54.008 54.000 0.114 0.000 1.006 476 D CB 0.039 40.931 40.800 0.154 0.000 1.073 476 D HN 0.038 nan 8.370 nan 0.000 0.513 477 L N 2.173 123.440 121.223 0.074 0.000 2.141 477 L HA -0.143 4.198 4.340 0.002 0.000 0.209 477 L C 2.140 179.064 176.870 0.089 0.000 1.094 477 L CA 0.562 55.440 54.840 0.063 0.000 0.763 477 L CB -0.122 41.952 42.059 0.025 0.000 0.908 477 L HN 0.297 nan 8.230 nan 0.000 0.437 478 V N -1.234 118.691 119.914 0.018 0.000 2.427 478 V HA -0.261 3.860 4.120 0.002 0.000 0.248 478 V C 1.431 177.420 176.094 -0.175 0.000 1.051 478 V CA 1.640 63.870 62.300 -0.116 0.000 1.048 478 V CB -0.864 30.782 31.823 -0.295 0.000 0.666 478 V HN 0.505 nan 8.190 nan 0.000 0.456 479 H N -1.819 117.305 119.070 0.090 0.000 2.505 479 H HA 0.302 4.859 4.556 0.002 0.000 0.289 479 H C 0.233 175.583 175.328 0.036 0.000 1.052 479 H CA -0.695 55.386 56.048 0.056 0.000 1.156 479 H CB -0.082 29.692 29.762 0.019 0.000 1.507 479 H HN 0.382 nan 8.280 nan 0.000 0.548 480 F N 1.962 121.894 119.950 -0.031 0.000 2.578 480 F HA -0.024 4.503 4.527 0.001 0.000 0.376 480 F C 0.773 176.428 175.800 -0.242 0.000 1.085 480 F CA -0.644 57.230 58.000 -0.210 0.000 1.260 480 F CB 0.571 39.312 39.000 -0.431 0.000 1.095 480 F HN 0.082 nan 8.300 nan 0.000 0.573 481 D N 6.313 126.200 120.400 -0.854 0.000 2.671 481 D HA 0.028 4.669 4.640 0.002 0.000 0.228 481 D C -0.577 175.552 176.300 -0.285 0.000 1.102 481 D CA 0.093 53.820 54.000 -0.454 0.000 1.044 481 D CB -1.020 39.513 40.800 -0.445 0.000 1.113 481 D HN 0.167 nan 8.370 nan 0.000 0.480 482 F N 1.137 121.104 119.950 0.029 0.000 2.471 482 F HA 0.104 4.632 4.527 0.001 0.000 0.353 482 F C 1.817 177.585 175.800 -0.053 0.000 1.113 482 F CA -0.365 57.675 58.000 0.067 0.000 1.262 482 F CB 0.908 39.972 39.000 0.105 0.000 1.146 482 F HN 0.167 nan 8.300 nan 0.000 0.578 483 M N 0.787 120.336 119.600 -0.085 0.000 2.175 483 M HA -0.083 4.398 4.480 0.002 0.000 0.264 483 M C -0.352 175.856 176.300 -0.153 0.000 1.063 483 M CA 1.878 56.916 55.300 -0.437 0.000 1.119 483 M CB 0.142 32.210 32.600 -0.886 0.000 1.377 483 M HN 0.405 nan 8.290 nan 0.000 0.415 484 D N 1.580 121.946 120.400 -0.057 0.000 2.421 484 D HA 0.346 4.987 4.640 0.002 0.000 0.254 484 D C -2.570 173.715 176.300 -0.025 0.000 1.238 484 D CA -1.270 52.712 54.000 -0.031 0.000 0.919 484 D CB 1.580 42.351 40.800 -0.049 0.000 1.152 484 D HN 0.072 nan 8.370 nan 0.000 0.552 485 P HA 0.130 nan 4.420 nan 0.000 0.268 485 P C -2.395 174.854 177.300 -0.085 0.000 1.205 485 P CA -0.827 62.303 63.100 0.049 0.000 0.771 485 P CB 0.094 31.851 31.700 0.095 0.000 0.858 486 P HA 0.221 nan 4.420 nan 0.000 0.276 486 P C -0.792 176.461 177.300 -0.077 0.000 1.252 486 P CA -0.605 62.396 63.100 -0.166 0.000 0.802 486 P CB 0.443 31.995 31.700 -0.245 0.000 1.035 487 A N 2.371 125.154 122.820 -0.063 0.000 2.520 487 A HA 0.220 4.541 4.320 0.002 0.000 0.245 487 A C -1.314 176.253 177.584 -0.029 0.000 1.072 487 A CA -0.676 51.341 52.037 -0.033 0.000 0.761 487 A CB -1.105 17.884 19.000 -0.018 0.000 1.004 487 A HN 0.399 nan 8.150 nan 0.000 0.499 488 P HA -0.225 nan 4.420 nan 0.000 0.218 488 P C 1.147 178.439 177.300 -0.013 0.000 1.146 488 P CA 1.716 64.803 63.100 -0.021 0.000 0.820 488 P CB 0.193 31.878 31.700 -0.025 0.000 0.778 489 E N -0.827 119.369 120.200 -0.007 0.000 2.158 489 E HA -0.112 4.239 4.350 0.002 0.000 0.191 489 E C 1.720 178.327 176.600 0.012 0.000 0.982 489 E CA 1.815 58.217 56.400 0.004 0.000 0.823 489 E CB -1.779 27.926 29.700 0.008 0.000 0.766 489 E HN 0.346 nan 8.360 nan 0.000 0.468 490 T N -0.234 114.324 114.554 0.007 0.000 2.821 490 T HA -0.081 4.270 4.350 0.002 0.000 0.267 490 T C 2.044 176.726 174.700 -0.031 0.000 1.046 490 T CA 0.966 63.064 62.100 -0.003 0.000 1.139 490 T CB -0.173 68.659 68.868 -0.059 0.000 0.871 490 T HN -0.055 nan 8.240 nan 0.000 0.454 491 M N 0.424 120.004 119.600 -0.033 0.000 2.086 491 M HA 0.037 4.518 4.480 0.002 0.000 0.261 491 M C 2.484 178.778 176.300 -0.009 0.000 1.067 491 M CA 1.338 56.624 55.300 -0.024 0.000 1.116 491 M CB -0.876 31.719 32.600 -0.008 0.000 1.348 491 M HN 0.273 nan 8.290 nan 0.000 0.407 492 M N -0.262 119.336 119.600 -0.003 0.000 2.080 492 M HA -0.183 4.298 4.480 0.002 0.000 0.260 492 M C 2.152 178.460 176.300 0.015 0.000 1.068 492 M CA 1.753 57.056 55.300 0.004 0.000 1.109 492 M CB -1.383 31.220 32.600 0.004 0.000 1.342 492 M HN 0.259 nan 8.290 nan 0.000 0.405 493 R N -0.077 120.436 120.500 0.022 0.000 2.105 493 R HA -0.108 4.233 4.340 0.002 0.000 0.239 493 R C 2.323 178.644 176.300 0.036 0.000 1.135 493 R CA 1.556 57.681 56.100 0.041 0.000 0.967 493 R CB -0.595 29.735 30.300 0.049 0.000 0.861 493 R HN 0.435 nan 8.270 nan 0.000 0.442 494 A N 1.148 123.974 122.820 0.009 0.000 1.873 494 A HA -0.119 4.202 4.320 0.002 0.000 0.215 494 A C 2.172 179.758 177.584 0.003 0.000 1.186 494 A CA 1.061 53.094 52.037 -0.006 0.000 0.616 494 A CB -0.512 18.468 19.000 -0.033 0.000 0.823 494 A HN 0.171 nan 8.150 nan 0.000 0.442 495 L N -0.740 120.484 121.223 0.002 0.000 2.012 495 L HA -0.260 4.081 4.340 0.002 0.000 0.210 495 L C 2.701 179.576 176.870 0.009 0.000 1.073 495 L CA 2.076 56.917 54.840 0.002 0.000 0.748 495 L CB -0.503 41.555 42.059 -0.001 0.000 0.891 495 L HN 0.620 nan 8.230 nan 0.000 0.431 496 E N 0.155 120.369 120.200 0.024 0.000 2.058 496 E HA -0.261 4.090 4.350 0.002 0.000 0.194 496 E C 2.060 178.729 176.600 0.115 0.000 0.997 496 E CA 1.423 57.843 56.400 0.033 0.000 0.801 496 E CB 0.029 29.782 29.700 0.088 0.000 0.746 496 E HN 0.447 nan 8.360 nan 0.000 0.450 497 E N 0.239 120.525 120.200 0.143 0.000 2.058 497 E HA -0.212 4.139 4.350 0.002 0.000 0.194 497 E C 2.301 178.961 176.600 0.099 0.000 0.997 497 E CA 1.215 57.705 56.400 0.149 0.000 0.801 497 E CB -0.119 29.602 29.700 0.035 0.000 0.746 497 E HN 0.366 nan 8.360 nan 0.000 0.450 498 L N 1.104 122.351 121.223 0.040 0.000 2.141 498 L HA -0.179 4.162 4.340 0.002 0.000 0.209 498 L C 2.438 179.330 176.870 0.037 0.000 1.094 498 L CA 0.756 55.607 54.840 0.019 0.000 0.763 498 L CB -0.477 41.580 42.059 -0.002 0.000 0.908 498 L HN 0.247 nan 8.230 nan 0.000 0.437 499 N N -0.356 118.357 118.700 0.022 0.000 2.106 499 N HA -0.228 4.513 4.740 0.002 0.000 0.188 499 N C 2.071 177.597 175.510 0.027 0.000 1.029 499 N CA 1.211 54.250 53.050 -0.017 0.000 0.848 499 N CB -0.045 38.385 38.487 -0.095 0.000 1.007 499 N HN 0.161 nan 8.380 nan 0.000 0.423 500 Y N 1.452 121.829 120.300 0.127 0.000 2.207 500 Y HA -0.080 4.471 4.550 0.001 0.000 0.287 500 Y C 2.192 178.246 175.900 0.257 0.000 1.156 500 Y CA 0.907 59.135 58.100 0.212 0.000 1.182 500 Y CB -0.368 38.269 38.460 0.295 0.000 0.979 500 Y HN 0.114 nan 8.280 nan 0.000 0.521 501 L N -0.858 120.550 121.223 0.308 0.000 2.551 501 L HA -0.025 4.316 4.340 0.002 0.000 0.228 501 L C 1.623 178.574 176.870 0.134 0.000 1.153 501 L CA 0.758 55.721 54.840 0.205 0.000 0.851 501 L CB -0.588 41.486 42.059 0.026 0.000 0.959 501 L HN 0.309 nan 8.230 nan 0.000 0.451 502 A N -1.988 120.893 122.820 0.102 0.000 2.887 502 A HA -0.265 4.056 4.320 0.002 0.000 0.257 502 A C 1.501 179.099 177.584 0.024 0.000 1.372 502 A CA 0.901 52.965 52.037 0.044 0.000 0.879 502 A CB -2.408 16.612 19.000 0.034 0.000 1.082 502 A HN 0.490 nan 8.150 nan 0.000 0.703 503 C N -0.820 118.493 119.300 0.023 0.000 2.485 503 C HA 0.440 4.901 4.460 0.002 0.000 0.277 503 C C 1.166 176.160 174.990 0.008 0.000 1.376 503 C CA 1.092 60.116 59.018 0.010 0.000 1.759 503 C CB -0.798 26.942 27.740 0.001 0.000 1.970 503 C HN 0.613 nan 8.230 nan 0.000 0.509 504 L N 1.281 122.509 121.223 0.009 0.000 2.354 504 L HA 0.440 4.781 4.340 0.002 0.000 0.269 504 L C -0.597 176.277 176.870 0.008 0.000 1.005 504 L CA -0.626 54.218 54.840 0.007 0.000 0.819 504 L CB 1.553 43.615 42.059 0.004 0.000 1.311 504 L HN 0.184 nan 8.230 nan 0.000 0.423 505 D N -0.768 119.641 120.400 0.015 0.000 2.451 505 D HA 0.019 4.660 4.640 0.002 0.000 0.259 505 D C 0.533 176.858 176.300 0.042 0.000 1.201 505 D CA -0.504 53.512 54.000 0.027 0.000 1.028 505 D CB 0.489 41.311 40.800 0.036 0.000 1.095 505 D HN 0.617 nan 8.370 nan 0.000 0.539 506 D N -1.068 119.386 120.400 0.090 0.000 2.350 506 D HA -0.179 4.462 4.640 0.002 0.000 0.216 506 D C 0.383 176.710 176.300 0.045 0.000 0.968 506 D CA 0.595 54.649 54.000 0.089 0.000 0.894 506 D CB -0.246 40.667 40.800 0.188 0.000 0.909 506 D HN 0.770 nan 8.370 nan 0.000 0.520 507 E N -0.053 120.173 120.200 0.043 0.000 2.451 507 E HA 0.337 4.688 4.350 0.002 0.000 0.194 507 E C 1.002 177.614 176.600 0.020 0.000 1.027 507 E CA 0.075 56.491 56.400 0.026 0.000 0.914 507 E CB 0.268 29.984 29.700 0.027 0.000 1.054 507 E HN 0.241 nan 8.360 nan 0.000 0.461 508 G N 1.697 110.508 108.800 0.018 0.000 2.143 508 G HA2 -0.227 3.734 3.960 0.002 0.000 0.249 508 G HA3 -0.227 3.734 3.960 0.002 0.000 0.249 508 G C -0.276 174.632 174.900 0.012 0.000 0.981 508 G CA -0.181 44.926 45.100 0.012 0.000 0.665 508 G HN 0.246 nan 8.290 nan 0.000 0.528 509 N N 0.063 118.773 118.700 0.017 0.000 2.473 509 N HA 0.522 5.262 4.740 0.002 0.000 0.291 509 N C 0.381 175.900 175.510 0.015 0.000 1.083 509 N CA -0.698 52.363 53.050 0.017 0.000 0.951 509 N CB 1.246 39.746 38.487 0.021 0.000 1.164 509 N HN 0.039 nan 8.380 nan 0.000 0.480 510 L N 1.475 122.707 121.223 0.015 0.000 2.559 510 L HA -0.008 4.333 4.340 0.002 0.000 0.282 510 L C 1.395 178.273 176.870 0.015 0.000 1.232 510 L CA 0.632 55.480 54.840 0.014 0.000 0.885 510 L CB -0.618 41.451 42.059 0.017 0.000 1.131 510 L HN 0.681 nan 8.230 nan 0.000 0.498 511 T N 1.417 115.979 114.554 0.012 0.000 2.923 511 T HA 0.475 4.826 4.350 0.002 0.000 0.281 511 T C -1.859 172.850 174.700 0.014 0.000 0.995 511 T CA -1.792 60.316 62.100 0.012 0.000 0.985 511 T CB 1.212 70.084 68.868 0.007 0.000 1.114 511 T HN 0.385 nan 8.240 nan 0.000 0.548 512 P HA -0.087 nan 4.420 nan 0.000 0.216 512 P C 1.650 178.964 177.300 0.023 0.000 1.150 512 P CA 0.482 63.595 63.100 0.022 0.000 0.843 512 P CB -0.067 31.649 31.700 0.027 0.000 0.787 513 L N -0.360 120.874 121.223 0.019 0.000 2.027 513 L HA 0.015 4.355 4.340 0.002 0.000 0.206 513 L C 2.300 179.181 176.870 0.018 0.000 1.074 513 L CA 2.388 57.240 54.840 0.020 0.000 0.745 513 L CB -1.657 40.409 42.059 0.012 0.000 0.898 513 L HN -0.048 nan 8.230 nan 0.000 0.433 514 G N -1.023 107.785 108.800 0.013 0.000 2.422 514 G HA2 -0.300 3.661 3.960 0.002 0.000 0.218 514 G HA3 -0.300 3.661 3.960 0.002 0.000 0.218 514 G C 1.828 176.734 174.900 0.009 0.000 1.146 514 G CA 0.815 45.921 45.100 0.010 0.000 0.769 514 G HN 0.358 nan 8.290 nan 0.000 0.547 515 R N -0.892 119.612 120.500 0.006 0.000 2.081 515 R HA 0.037 4.378 4.340 0.002 0.000 0.235 515 R C 2.435 178.713 176.300 -0.037 0.000 1.131 515 R CA 1.038 57.133 56.100 -0.008 0.000 0.960 515 R CB -0.374 29.924 30.300 -0.002 0.000 0.856 515 R HN 0.357 nan 8.270 nan 0.000 0.436 516 L N 0.102 121.314 121.223 -0.018 0.000 2.072 516 L HA 0.039 4.380 4.340 0.002 0.000 0.205 516 L C 2.070 178.999 176.870 0.098 0.000 1.079 516 L CA 1.969 56.796 54.840 -0.023 0.000 0.752 516 L CB -0.725 41.367 42.059 0.055 0.000 0.906 516 L HN 0.173 nan 8.230 nan 0.000 0.436 517 A N -0.962 121.919 122.820 0.102 0.000 2.024 517 A HA -0.218 4.103 4.320 0.002 0.000 0.220 517 A C 2.403 180.073 177.584 0.143 0.000 1.164 517 A CA 1.858 53.978 52.037 0.138 0.000 0.643 517 A CB -1.021 18.003 19.000 0.041 0.000 0.806 517 A HN 0.653 nan 8.150 nan 0.000 0.451 518 S N -1.167 114.566 115.700 0.055 0.000 2.561 518 S HA -0.053 4.418 4.470 0.002 0.000 0.225 518 S C 1.421 176.017 174.600 -0.006 0.000 0.977 518 S CA 0.750 58.965 58.200 0.025 0.000 0.926 518 S CB -0.157 63.045 63.200 0.004 0.000 0.769 518 S HN 0.565 nan 8.310 nan 0.000 0.533 519 Q N 0.030 119.791 119.800 -0.065 0.000 2.425 519 Q HA 0.321 4.662 4.340 0.002 0.000 0.204 519 Q C -0.773 175.074 176.000 -0.255 0.000 0.933 519 Q CA 0.283 55.939 55.803 -0.245 0.000 0.939 519 Q CB -0.044 28.272 28.738 -0.704 0.000 1.044 519 Q HN 0.634 nan 8.270 nan 0.000 0.513 520 F N 1.717 121.662 119.950 -0.010 0.000 2.458 520 F HA 0.304 4.831 4.527 0.001 0.000 0.336 520 F C -1.776 174.041 175.800 0.027 0.000 1.114 520 F CA -2.672 55.359 58.000 0.051 0.000 0.987 520 F CB 1.579 40.622 39.000 0.072 0.000 1.130 520 F HN -0.179 nan 8.300 nan 0.000 0.458 521 P HA 0.205 nan 4.420 nan 0.000 0.226 521 P C -0.971 176.391 177.300 0.104 0.000 1.783 521 P CA 0.509 63.618 63.100 0.014 0.000 0.980 521 P CB -0.158 31.381 31.700 -0.268 0.000 1.967 522 L N -0.422 120.892 121.223 0.151 0.000 2.424 522 L HA 0.423 4.764 4.340 0.002 0.000 0.258 522 L C 0.355 177.271 176.870 0.077 0.000 0.995 522 L CA -1.197 53.729 54.840 0.144 0.000 0.821 522 L CB 2.071 44.230 42.059 0.165 0.000 1.383 522 L HN -0.012 nan 8.230 nan 0.000 0.410 523 D N 2.272 122.708 120.400 0.059 0.000 2.548 523 D HA -0.029 4.612 4.640 0.002 0.000 0.231 523 D C -1.814 174.466 176.300 -0.034 0.000 1.142 523 D CA -0.763 53.244 54.000 0.012 0.000 0.866 523 D CB 1.683 42.496 40.800 0.022 0.000 1.190 523 D HN 0.218 nan 8.370 nan 0.000 0.469 524 P HA -0.173 nan 4.420 nan 0.000 0.215 524 P C 1.781 178.972 177.300 -0.182 0.000 1.157 524 P CA 1.709 64.750 63.100 -0.097 0.000 0.874 524 P CB 0.033 31.675 31.700 -0.096 0.000 0.790 525 M N -1.828 117.589 119.600 -0.305 0.000 2.108 525 M HA -0.174 4.307 4.480 0.002 0.000 0.261 525 M C 2.124 178.163 176.300 -0.434 0.000 1.066 525 M CA 1.815 56.765 55.300 -0.583 0.000 1.107 525 M CB -0.956 30.985 32.600 -1.098 0.000 1.356 525 M HN -0.051 nan 8.290 nan 0.000 0.406 526 L N -0.487 120.627 121.223 -0.182 0.000 2.056 526 L HA -0.135 4.206 4.340 0.002 0.000 0.207 526 L C 2.843 179.674 176.870 -0.064 0.000 1.078 526 L CA 1.088 55.938 54.840 0.017 0.000 0.749 526 L CB -0.804 41.319 42.059 0.107 0.000 0.901 526 L HN 0.289 nan 8.230 nan 0.000 0.433 527 A N -0.458 122.302 122.820 -0.100 0.000 1.902 527 A HA -0.140 4.181 4.320 0.002 0.000 0.217 527 A C 2.329 179.792 177.584 -0.201 0.000 1.181 527 A CA 1.638 53.560 52.037 -0.190 0.000 0.623 527 A CB -0.759 18.191 19.000 -0.084 0.000 0.818 527 A HN 0.188 nan 8.150 nan 0.000 0.443 528 V N -0.108 119.725 119.914 -0.135 0.000 2.307 528 V HA -0.318 3.803 4.120 0.002 0.000 0.245 528 V C 2.590 178.638 176.094 -0.077 0.000 1.045 528 V CA 2.267 64.509 62.300 -0.097 0.000 1.024 528 V CB -0.666 31.106 31.823 -0.086 0.000 0.651 528 V HN 0.741 nan 8.190 nan 0.000 0.449 529 M N -0.562 118.992 119.600 -0.077 0.000 2.082 529 M HA -0.242 4.239 4.480 0.002 0.000 0.258 529 M C 2.137 178.409 176.300 -0.046 0.000 1.069 529 M CA 2.219 57.502 55.300 -0.029 0.000 1.102 529 M CB -0.236 32.396 32.600 0.052 0.000 1.336 529 M HN 0.369 nan 8.290 nan 0.000 0.404 530 L N 0.872 122.037 121.223 -0.097 0.000 2.027 530 L HA -0.172 4.169 4.340 0.002 0.000 0.206 530 L C 2.170 178.971 176.870 -0.115 0.000 1.074 530 L CA 1.634 56.395 54.840 -0.130 0.000 0.745 530 L CB -0.727 41.173 42.059 -0.265 0.000 0.898 530 L HN 0.364 nan 8.230 nan 0.000 0.433 531 I N -0.203 120.271 120.570 -0.161 0.000 2.208 531 I HA -0.204 3.967 4.170 0.002 0.000 0.245 531 I C 2.417 178.502 176.117 -0.053 0.000 1.097 531 I CA 1.579 62.836 61.300 -0.072 0.000 1.363 531 I CB -2.029 35.934 38.000 -0.061 0.000 1.051 531 I HN 0.434 nan 8.210 nan 0.000 0.413 532 G N 0.528 109.292 108.800 -0.061 0.000 2.572 532 G HA2 -0.152 3.809 3.960 0.002 0.000 0.216 532 G HA3 -0.152 3.809 3.960 0.002 0.000 0.216 532 G C 1.737 176.594 174.900 -0.071 0.000 1.133 532 G CA 0.845 45.889 45.100 -0.094 0.000 0.791 532 G HN 0.528 nan 8.290 nan 0.000 0.538 533 S N 1.537 117.256 115.700 0.033 0.000 2.383 533 S HA -0.215 4.256 4.470 0.002 0.000 0.229 533 S C 2.120 176.781 174.600 0.103 0.000 1.030 533 S CA 1.549 59.822 58.200 0.120 0.000 1.002 533 S CB -0.691 62.548 63.200 0.064 0.000 0.829 533 S HN 0.691 nan 8.310 nan 0.000 0.467 534 F N 2.098 122.083 119.950 0.059 0.000 2.365 534 F HA 0.242 4.770 4.527 0.001 0.000 0.300 534 F C 1.953 177.740 175.800 -0.021 0.000 1.090 534 F CA 0.798 58.812 58.000 0.024 0.000 1.408 534 F CB -0.592 38.420 39.000 0.019 0.000 1.060 534 F HN 0.059 nan 8.300 nan 0.000 0.534 535 E N 0.226 120.074 120.200 -0.587 0.000 2.347 535 E HA -0.064 4.287 4.350 0.002 0.000 0.196 535 E C 1.053 177.349 176.600 -0.506 0.000 1.008 535 E CA 0.676 56.738 56.400 -0.562 0.000 0.852 535 E CB -0.356 28.885 29.700 -0.764 0.000 0.783 535 E HN 0.566 nan 8.360 nan 0.000 0.505 536 F N 0.016 119.868 119.950 -0.164 0.000 2.664 536 F HA 0.135 4.663 4.527 0.002 0.000 0.303 536 F C 0.770 176.507 175.800 -0.106 0.000 1.092 536 F CA -0.227 57.685 58.000 -0.147 0.000 1.305 536 F CB 0.338 39.232 39.000 -0.177 0.000 1.054 536 F HN -0.176 nan 8.300 nan 0.000 0.565 537 Q N 0.140 119.984 119.800 0.075 0.000 2.475 537 Q HA -0.260 4.081 4.340 0.002 0.000 0.280 537 Q C 0.012 176.039 176.000 0.045 0.000 1.234 537 Q CA 1.033 56.877 55.803 0.068 0.000 0.873 537 Q CB -1.621 27.138 28.738 0.035 0.000 1.256 537 Q HN 0.581 nan 8.270 nan 0.000 0.475 538 C N -3.866 115.467 119.300 0.054 0.000 3.482 538 C HA 0.545 5.006 4.460 0.002 0.000 0.299 538 C C 1.714 176.719 174.990 0.025 0.000 2.619 538 C CA -0.040 58.974 59.018 -0.007 0.000 1.533 538 C CB -0.518 27.149 27.740 -0.122 0.000 3.079 538 C HN 0.502 nan 8.230 nan 0.000 0.433 539 S N 0.658 116.410 115.700 0.085 0.000 2.423 539 S HA -0.186 4.284 4.470 0.002 0.000 0.231 539 S C 1.671 176.311 174.600 0.067 0.000 1.014 539 S CA 1.284 59.541 58.200 0.096 0.000 0.965 539 S CB -0.443 62.862 63.200 0.175 0.000 0.785 539 S HN 0.808 nan 8.310 nan 0.000 0.495 540 Q N 0.830 120.671 119.800 0.067 0.000 2.050 540 Q HA -0.130 4.211 4.340 0.002 0.000 0.202 540 Q C 2.112 178.145 176.000 0.055 0.000 0.980 540 Q CA 1.728 57.572 55.803 0.068 0.000 0.840 540 Q CB -0.226 28.564 28.738 0.086 0.000 0.898 540 Q HN 0.609 nan 8.270 nan 0.000 0.424 541 E N 0.322 120.545 120.200 0.038 0.000 2.107 541 E HA -0.109 4.242 4.350 0.002 0.000 0.191 541 E C 1.837 178.432 176.600 -0.009 0.000 0.982 541 E CA 0.651 57.063 56.400 0.021 0.000 0.809 541 E CB 0.016 29.695 29.700 -0.035 0.000 0.756 541 E HN 0.231 nan 8.360 nan 0.000 0.459 542 I N 0.594 121.151 120.570 -0.022 0.000 2.252 542 I HA -0.188 3.983 4.170 0.002 0.000 0.245 542 I C 2.289 178.391 176.117 -0.025 0.000 1.102 542 I CA 0.885 62.167 61.300 -0.029 0.000 1.385 542 I CB -0.928 37.052 38.000 -0.032 0.000 1.064 542 I HN 0.212 nan 8.210 nan 0.000 0.414 543 L N 0.580 121.796 121.223 -0.012 0.000 1.978 543 L HA -0.330 4.011 4.340 0.002 0.000 0.218 543 L C 2.526 179.344 176.870 -0.087 0.000 1.075 543 L CA 2.164 56.989 54.840 -0.024 0.000 0.767 543 L CB -0.440 41.623 42.059 0.006 0.000 0.890 543 L HN 0.245 nan 8.230 nan 0.000 0.434 544 T N -0.086 114.404 114.554 -0.106 0.000 2.821 544 T HA -0.131 4.220 4.350 0.002 0.000 0.267 544 T C 1.835 176.422 174.700 -0.188 0.000 1.046 544 T CA 1.379 63.329 62.100 -0.251 0.000 1.139 544 T CB -0.180 68.565 68.868 -0.205 0.000 0.871 544 T HN 0.267 nan 8.240 nan 0.000 0.454 545 I N 0.747 121.272 120.570 -0.076 0.000 2.226 545 I HA -0.147 4.024 4.170 0.002 0.000 0.245 545 I C 2.410 178.504 176.117 -0.039 0.000 1.100 545 I CA 0.884 62.165 61.300 -0.032 0.000 1.374 545 I CB -0.358 37.652 38.000 0.017 0.000 1.057 545 I HN 0.089 nan 8.210 nan 0.000 0.413 546 V N 0.951 120.843 119.914 -0.037 0.000 2.343 546 V HA -0.285 3.836 4.120 0.002 0.000 0.247 546 V C 2.704 178.768 176.094 -0.050 0.000 1.051 546 V CA 1.943 64.236 62.300 -0.013 0.000 1.036 546 V CB -0.969 30.851 31.823 -0.005 0.000 0.654 546 V HN 0.492 nan 8.190 nan 0.000 0.451 547 A N -0.473 122.273 122.820 -0.123 0.000 1.902 547 A HA -0.220 4.101 4.320 0.002 0.000 0.217 547 A C 2.219 179.699 177.584 -0.173 0.000 1.181 547 A CA 2.003 53.925 52.037 -0.191 0.000 0.623 547 A CB -0.458 18.367 19.000 -0.292 0.000 0.818 547 A HN 0.406 nan 8.150 nan 0.000 0.443 548 M N -0.630 118.868 119.600 -0.169 0.000 2.229 548 M HA 0.004 4.485 4.480 0.002 0.000 0.264 548 M C 1.936 178.186 176.300 -0.084 0.000 1.063 548 M CA 1.130 56.352 55.300 -0.130 0.000 1.114 548 M CB -1.124 31.416 32.600 -0.101 0.000 1.387 548 M HN 0.381 nan 8.290 nan 0.000 0.420 549 L N -0.729 120.460 121.223 -0.056 0.000 2.478 549 L HA -0.053 4.288 4.340 0.002 0.000 0.223 549 L C 1.531 178.402 176.870 0.001 0.000 1.140 549 L CA 0.329 55.152 54.840 -0.029 0.000 0.842 549 L CB -0.287 41.770 42.059 -0.003 0.000 0.953 549 L HN 0.143 nan 8.230 nan 0.000 0.452 550 S N -0.829 114.867 115.700 -0.006 0.000 2.679 550 S HA 0.230 4.701 4.470 0.002 0.000 0.233 550 S C 0.091 174.704 174.600 0.021 0.000 0.951 550 S CA -0.003 58.218 58.200 0.035 0.000 0.973 550 S CB 0.158 63.383 63.200 0.040 0.000 0.778 550 S HN 0.047 nan 8.310 nan 0.000 0.477 551 V N 1.589 121.496 119.914 -0.013 0.000 3.178 551 V HA 0.385 4.506 4.120 0.002 0.000 0.302 551 V C -2.555 173.518 176.094 -0.034 0.000 1.262 551 V CA -2.077 60.206 62.300 -0.029 0.000 1.030 551 V CB 2.307 34.083 31.823 -0.077 0.000 1.074 551 V HN 0.045 nan 8.190 nan 0.000 0.438 552 P HA 0.149 nan 4.420 nan 0.000 0.271 552 P C -0.658 176.611 177.300 -0.051 0.000 1.233 552 P CA -0.236 62.842 63.100 -0.036 0.000 0.789 552 P CB 0.227 31.904 31.700 -0.039 0.000 0.951 553 N N 0.713 119.395 118.700 -0.030 0.000 2.294 553 N HA -0.091 4.650 4.740 0.002 0.000 0.263 553 N C 0.671 176.157 175.510 -0.040 0.000 1.281 553 N CA 0.598 53.649 53.050 0.002 0.000 0.846 553 N CB 0.210 38.715 38.487 0.030 0.000 1.061 553 N HN 0.022 nan 8.380 nan 0.000 0.478 554 V N 3.780 123.619 119.914 -0.125 0.000 3.052 554 V HA 0.088 4.209 4.120 0.002 0.000 0.254 554 V C 0.266 176.149 176.094 -0.352 0.000 1.100 554 V CA 0.467 62.576 62.300 -0.318 0.000 1.112 554 V CB -0.746 30.761 31.823 -0.526 0.000 0.738 554 V HN 0.495 nan 8.190 nan 0.000 0.469 555 F N 0.868 120.811 119.950 -0.012 0.000 2.438 555 F HA 0.398 4.926 4.527 0.002 0.000 0.356 555 F C 0.406 176.234 175.800 0.046 0.000 1.099 555 F CA -0.416 57.602 58.000 0.030 0.000 1.185 555 F CB 0.353 39.372 39.000 0.032 0.000 1.115 555 F HN -0.117 nan 8.300 nan 0.000 0.526 556 I N 4.224 124.937 120.570 0.238 0.000 2.342 556 I HA 0.315 4.486 4.170 0.002 0.000 0.291 556 I C 0.087 176.338 176.117 0.223 0.000 1.010 556 I CA -0.360 61.061 61.300 0.202 0.000 1.308 556 I CB 1.396 39.517 38.000 0.203 0.000 1.400 556 I HN 0.642 nan 8.210 nan 0.000 0.488 557 R N 7.059 127.642 120.500 0.138 0.000 2.629 557 R HA 0.382 4.723 4.340 0.002 0.000 0.275 557 R C -2.578 173.758 176.300 0.060 0.000 1.719 557 R CA -1.382 54.763 56.100 0.074 0.000 1.472 557 R CB 0.968 31.289 30.300 0.035 0.000 1.237 557 R HN 0.358 nan 8.270 nan 0.000 0.589 558 P HA 0.060 nan 4.420 nan 0.000 0.265 558 P C 0.385 177.701 177.300 0.027 0.000 1.193 558 P CA 0.005 63.145 63.100 0.067 0.000 0.765 558 P CB 1.098 32.862 31.700 0.108 0.000 0.823 559 T N 1.641 116.202 114.554 0.012 0.000 2.803 559 T HA -0.158 4.193 4.350 0.002 0.000 0.269 559 T C 1.122 175.818 174.700 -0.007 0.000 1.052 559 T CA 1.334 63.431 62.100 -0.006 0.000 1.136 559 T CB -0.237 68.624 68.868 -0.013 0.000 0.864 559 T HN 0.574 nan 8.240 nan 0.000 0.467 560 K N 0.507 120.909 120.400 0.004 0.000 2.387 560 K HA 0.212 4.533 4.320 0.002 0.000 0.198 560 K C 0.183 176.789 176.600 0.009 0.000 1.022 560 K CA 0.247 56.536 56.287 0.003 0.000 1.128 560 K CB 0.527 33.031 32.500 0.007 0.000 0.853 560 K HN 0.029 nan 8.250 nan 0.000 0.523 561 D N 1.303 121.709 120.400 0.009 0.000 2.785 561 D HA 0.137 4.778 4.640 0.002 0.000 0.324 561 D C 0.464 176.723 176.300 -0.069 0.000 1.523 561 D CA -0.071 53.932 54.000 0.005 0.000 0.789 561 D CB 0.469 41.324 40.800 0.093 0.000 1.171 561 D HN -0.002 nan 8.370 nan 0.000 0.447 562 K N 0.141 120.501 120.400 -0.066 0.000 2.063 562 K HA -0.143 4.178 4.320 0.002 0.000 0.208 562 K C 1.892 178.410 176.600 -0.136 0.000 1.048 562 K CA 0.654 56.885 56.287 -0.093 0.000 0.928 562 K CB 0.258 32.720 32.500 -0.065 0.000 0.713 562 K HN -0.024 nan 8.250 nan 0.000 0.442 563 K N 1.819 122.151 120.400 -0.114 0.000 2.026 563 K HA -0.137 4.184 4.320 0.002 0.000 0.208 563 K C 2.048 178.548 176.600 -0.167 0.000 1.048 563 K CA 1.439 57.657 56.287 -0.114 0.000 0.929 563 K CB -0.027 32.427 32.500 -0.077 0.000 0.713 563 K HN 0.104 nan 8.250 nan 0.000 0.439 564 R N -0.143 120.232 120.500 -0.208 0.000 2.115 564 R HA -0.036 4.305 4.340 0.002 0.000 0.230 564 R C 2.394 178.318 176.300 -0.626 0.000 1.111 564 R CA 0.975 56.900 56.100 -0.292 0.000 0.976 564 R CB -0.263 29.935 30.300 -0.170 0.000 0.870 564 R HN 0.231 nan 8.270 nan 0.000 0.445 565 A N 1.665 124.000 122.820 -0.809 0.000 1.902 565 A HA -0.196 4.125 4.320 0.002 0.000 0.217 565 A C 1.506 178.880 177.584 -0.350 0.000 1.181 565 A CA 1.789 53.298 52.037 -0.879 0.000 0.623 565 A CB -0.335 18.379 19.000 -0.478 0.000 0.818 565 A HN 0.153 nan 8.150 nan 0.000 0.443 566 D N 0.257 120.513 120.400 -0.239 0.000 2.097 566 D HA -0.117 4.524 4.640 0.002 0.000 0.197 566 D C 1.408 177.634 176.300 -0.124 0.000 0.984 566 D CA 1.391 55.303 54.000 -0.147 0.000 0.826 566 D CB -0.557 40.169 40.800 -0.123 0.000 0.973 566 D HN 0.353 nan 8.370 nan 0.000 0.460 567 D N 0.675 120.990 120.400 -0.141 0.000 2.133 567 D HA -0.170 4.471 4.640 0.002 0.000 0.192 567 D C 1.988 178.234 176.300 -0.089 0.000 1.001 567 D CA 1.635 55.570 54.000 -0.109 0.000 0.844 567 D CB -0.381 40.354 40.800 -0.109 0.000 0.944 567 D HN 0.182 nan 8.370 nan 0.000 0.447 568 A N 0.559 123.328 122.820 -0.086 0.000 1.877 568 A HA -0.206 4.115 4.320 0.002 0.000 0.216 568 A C 2.085 179.756 177.584 0.144 0.000 1.186 568 A CA 1.925 53.978 52.037 0.026 0.000 0.620 568 A CB -0.511 18.580 19.000 0.151 0.000 0.822 568 A HN 0.205 nan 8.150 nan 0.000 0.443 569 K N -0.414 120.079 120.400 0.156 0.000 2.057 569 K HA -0.192 4.129 4.320 0.002 0.000 0.207 569 K C 1.534 178.197 176.600 0.106 0.000 1.049 569 K CA 1.631 58.045 56.287 0.212 0.000 0.931 569 K CB -0.209 32.222 32.500 -0.116 0.000 0.714 569 K HN 0.380 nan 8.250 nan 0.000 0.440 570 N N 1.060 119.750 118.700 -0.017 0.000 2.364 570 N HA -0.111 4.630 4.740 0.002 0.000 0.183 570 N C 1.515 176.984 175.510 -0.068 0.000 1.022 570 N CA 0.869 53.895 53.050 -0.041 0.000 0.883 570 N CB -0.148 38.303 38.487 -0.059 0.000 0.965 570 N HN 0.296 nan 8.380 nan 0.000 0.438 571 I N -0.614 119.846 120.570 -0.183 0.000 2.248 571 I HA -0.276 3.895 4.170 0.002 0.000 0.248 571 I C 0.859 176.761 176.117 -0.358 0.000 1.107 571 I CA 1.292 62.361 61.300 -0.385 0.000 1.373 571 I CB -0.209 37.346 38.000 -0.741 0.000 1.055 571 I HN 0.044 nan 8.210 nan 0.000 0.418 572 F N 0.481 120.538 119.950 0.179 0.000 2.717 572 F HA 0.389 4.916 4.527 0.002 0.000 0.297 572 F C 1.466 177.378 175.800 0.187 0.000 1.113 572 F CA -0.416 57.721 58.000 0.228 0.000 1.319 572 F CB -0.514 38.686 39.000 0.333 0.000 1.097 572 F HN -0.203 nan 8.300 nan 0.000 0.595 573 A N 0.388 123.351 122.820 0.238 0.000 2.477 573 A HA 0.151 4.472 4.320 0.002 0.000 0.246 573 A C -0.730 176.944 177.584 0.150 0.000 1.078 573 A CA 0.152 52.272 52.037 0.139 0.000 0.770 573 A CB -0.584 18.424 19.000 0.013 0.000 1.011 573 A HN 0.487 nan 8.150 nan 0.000 0.494 574 H N 3.755 122.863 119.070 0.064 0.000 2.511 574 H HA 0.488 5.045 4.556 0.002 0.000 0.328 574 H C -2.414 172.904 175.328 -0.016 0.000 1.044 574 H CA -1.761 54.299 56.048 0.020 0.000 1.212 574 H CB 1.318 31.099 29.762 0.031 0.000 1.428 574 H HN 0.463 nan 8.280 nan 0.000 0.483 575 P HA -0.027 nan 4.420 nan 0.000 0.265 575 P C -0.493 176.784 177.300 -0.038 0.000 1.193 575 P CA 0.235 63.241 63.100 -0.157 0.000 0.765 575 P CB 0.567 32.132 31.700 -0.225 0.000 0.823 576 D N 1.027 121.444 120.400 0.029 0.000 2.811 576 D HA -0.163 4.478 4.640 0.002 0.000 0.231 576 D C 0.648 177.044 176.300 0.160 0.000 1.157 576 D CA 2.028 56.076 54.000 0.080 0.000 0.716 576 D CB -1.826 39.016 40.800 0.070 0.000 1.077 576 D HN 0.725 nan 8.370 nan 0.000 0.428 577 G N -0.106 108.816 108.800 0.204 0.000 4.101 577 G HA2 0.232 4.193 3.960 0.002 0.000 0.262 577 G HA3 0.232 4.193 3.960 0.002 0.000 0.262 577 G C 0.434 175.438 174.900 0.173 0.000 1.181 577 G CA -0.501 44.733 45.100 0.223 0.000 0.640 577 G HN -0.112 nan 8.290 nan 0.000 0.467 578 D N 0.345 120.814 120.400 0.116 0.000 2.182 578 D HA -0.118 4.523 4.640 0.002 0.000 0.201 578 D C 1.805 178.105 176.300 0.000 0.000 0.986 578 D CA 1.009 55.023 54.000 0.024 0.000 0.847 578 D CB 0.160 40.917 40.800 -0.072 0.000 0.942 578 D HN 0.578 nan 8.370 nan 0.000 0.467 579 H N -0.036 119.038 119.070 0.006 0.000 2.389 579 H HA -0.045 4.512 4.556 0.002 0.000 0.299 579 H C 2.084 177.425 175.328 0.022 0.000 1.081 579 H CA 0.526 56.565 56.048 -0.015 0.000 1.345 579 H CB 0.328 30.049 29.762 -0.068 0.000 1.393 579 H HN 0.143 nan 8.280 nan 0.000 0.520 580 I N 0.880 121.533 120.570 0.139 0.000 2.394 580 I HA -0.165 4.006 4.170 0.002 0.000 0.251 580 I C 2.286 178.518 176.117 0.193 0.000 1.136 580 I CA 0.860 62.223 61.300 0.106 0.000 1.425 580 I CB -1.261 36.643 38.000 -0.160 0.000 1.079 580 I HN 0.159 nan 8.210 nan 0.000 0.425 581 T N 2.043 116.718 114.554 0.202 0.000 2.684 581 T HA -0.161 4.190 4.350 0.002 0.000 0.267 581 T C 2.159 177.029 174.700 0.284 0.000 1.036 581 T CA 1.273 63.531 62.100 0.264 0.000 1.148 581 T CB -0.401 68.579 68.868 0.188 0.000 0.863 581 T HN 0.257 nan 8.240 nan 0.000 0.436 582 L N 0.304 121.648 121.223 0.202 0.000 2.042 582 L HA -0.112 4.229 4.340 0.002 0.000 0.210 582 L C 2.496 179.468 176.870 0.171 0.000 1.076 582 L CA 0.941 55.873 54.840 0.154 0.000 0.749 582 L CB -0.672 41.423 42.059 0.061 0.000 0.893 582 L HN 0.235 nan 8.230 nan 0.000 0.432 583 L N 0.234 121.569 121.223 0.187 0.000 2.017 583 L HA -0.191 4.150 4.340 0.002 0.000 0.208 583 L C 2.301 179.356 176.870 0.308 0.000 1.073 583 L CA 1.789 56.766 54.840 0.229 0.000 0.745 583 L CB -0.779 41.400 42.059 0.200 0.000 0.894 583 L HN 0.230 nan 8.230 nan 0.000 0.432 584 N N -0.241 118.653 118.700 0.324 0.000 2.043 584 N HA -0.165 4.576 4.740 0.002 0.000 0.193 584 N C 1.887 177.608 175.510 0.352 0.000 1.037 584 N CA 1.985 55.269 53.050 0.391 0.000 0.851 584 N CB -0.773 37.999 38.487 0.475 0.000 1.027 584 N HN 0.322 nan 8.380 nan 0.000 0.422 585 V N 0.657 120.678 119.914 0.178 0.000 2.332 585 V HA -0.244 3.877 4.120 0.002 0.000 0.248 585 V C 2.095 178.187 176.094 -0.004 0.000 1.055 585 V CA 1.532 63.701 62.300 -0.217 0.000 1.038 585 V CB -0.855 30.745 31.823 -0.371 0.000 0.651 585 V HN 0.281 nan 8.190 nan 0.000 0.450 586 Y N 0.774 121.085 120.300 0.018 0.000 2.200 586 Y HA -0.255 4.296 4.550 0.001 0.000 0.290 586 Y C 2.681 178.670 175.900 0.147 0.000 1.137 586 Y CA 2.165 60.304 58.100 0.065 0.000 1.163 586 Y CB -0.479 38.004 38.460 0.039 0.000 0.988 586 Y HN 0.406 nan 8.280 nan 0.000 0.518 587 H N -0.134 118.999 119.070 0.105 0.000 2.352 587 H HA -0.125 4.432 4.556 0.002 0.000 0.299 587 H C 2.158 177.441 175.328 -0.075 0.000 1.097 587 H CA 1.826 57.883 56.048 0.015 0.000 1.311 587 H CB -0.265 29.577 29.762 0.134 0.000 1.377 587 H HN 0.419 nan 8.280 nan 0.000 0.504 588 A N -0.109 122.767 122.820 0.093 0.000 1.897 588 A HA -0.115 4.206 4.320 0.002 0.000 0.215 588 A C 2.268 179.618 177.584 -0.391 0.000 1.181 588 A CA 1.167 53.225 52.037 0.036 0.000 0.620 588 A CB -1.136 18.177 19.000 0.522 0.000 0.821 588 A HN 0.584 nan 8.150 nan 0.000 0.443 589 F N 0.726 120.395 119.950 -0.467 0.000 2.202 589 F HA -0.138 4.390 4.527 0.001 0.000 0.301 589 F C 1.668 177.070 175.800 -0.664 0.000 1.082 589 F CA 1.835 59.451 58.000 -0.640 0.000 1.313 589 F CB 0.164 38.951 39.000 -0.355 0.000 1.024 589 F HN 0.016 nan 8.300 nan 0.000 0.495 590 K N 0.945 120.914 120.400 -0.719 0.000 2.444 590 K HA 0.102 4.422 4.320 0.002 0.000 0.193 590 K C 0.899 177.142 176.600 -0.595 0.000 1.024 590 K CA 0.629 56.482 56.287 -0.723 0.000 1.077 590 K CB -0.671 31.435 32.500 -0.657 0.000 0.833 590 K HN 0.378 nan 8.250 nan 0.000 0.517 591 S N 0.570 115.916 115.700 -0.589 0.000 2.584 591 S HA 0.049 4.520 4.470 0.002 0.000 0.270 591 S C 0.630 175.023 174.600 -0.346 0.000 1.346 591 S CA -0.266 57.671 58.200 -0.438 0.000 1.018 591 S CB 1.029 64.022 63.200 -0.346 0.000 0.899 591 S HN 0.062 nan 8.310 nan 0.000 0.542 592 D N 0.583 120.851 120.400 -0.220 0.000 2.144 592 D HA -0.091 4.550 4.640 0.002 0.000 0.200 592 D C 1.876 178.147 176.300 -0.048 0.000 0.978 592 D CA 1.462 55.394 54.000 -0.114 0.000 0.833 592 D CB -0.107 40.647 40.800 -0.077 0.000 0.961 592 D HN 0.866 nan 8.370 nan 0.000 0.470 593 E N 0.814 120.967 120.200 -0.079 0.000 2.038 593 E HA -0.270 4.081 4.350 0.002 0.000 0.195 593 E C 2.046 178.589 176.600 -0.095 0.000 1.000 593 E CA 1.285 57.676 56.400 -0.014 0.000 0.803 593 E CB -0.106 29.618 29.700 0.040 0.000 0.750 593 E HN 0.237 nan 8.360 nan 0.000 0.448 594 A N 0.443 122.984 122.820 -0.466 0.000 1.883 594 A HA -0.228 4.093 4.320 0.002 0.000 0.217 594 A C 2.136 179.476 177.584 -0.406 0.000 1.186 594 A CA 1.707 53.140 52.037 -1.006 0.000 0.624 594 A CB -1.129 16.758 19.000 -1.855 0.000 0.822 594 A HN 0.658 nan 8.150 nan 0.000 0.444 595 Y N 0.417 120.479 120.300 -0.398 0.000 2.181 595 Y HA -0.173 4.378 4.550 0.002 0.000 0.288 595 Y C 2.273 178.121 175.900 -0.087 0.000 1.146 595 Y CA 2.282 60.239 58.100 -0.238 0.000 1.164 595 Y CB -0.296 38.018 38.460 -0.243 0.000 0.982 595 Y HN 0.358 nan 8.280 nan 0.000 0.515 596 E N -0.362 119.815 120.200 -0.040 0.000 2.085 596 E HA -0.270 4.081 4.350 0.002 0.000 0.194 596 E C 2.028 178.600 176.600 -0.047 0.000 0.994 596 E CA 1.752 58.111 56.400 -0.068 0.000 0.801 596 E CB -0.782 28.955 29.700 0.062 0.000 0.743 596 E HN 0.711 nan 8.360 nan 0.000 0.453 597 Y N -0.358 119.904 120.300 -0.064 0.000 2.333 597 Y HA -0.063 4.488 4.550 0.001 0.000 0.290 597 Y C 0.620 176.527 175.900 0.013 0.000 1.144 597 Y CA 1.244 59.371 58.100 0.044 0.000 1.228 597 Y CB 0.336 38.931 38.460 0.225 0.000 0.985 597 Y HN 0.100 nan 8.280 nan 0.000 0.542 598 G N 0.419 109.299 108.800 0.133 0.000 3.035 598 G HA2 -0.216 3.745 3.960 0.002 0.000 0.674 598 G HA3 -0.216 3.745 3.960 0.002 0.000 0.674 598 G C 0.066 175.088 174.900 0.203 0.000 1.159 598 G CA -0.145 45.005 45.100 0.084 0.000 1.098 598 G HN 0.369 nan 8.290 nan 0.000 0.473 599 I N 1.566 122.158 120.570 0.037 0.000 2.194 599 I HA -0.131 4.040 4.170 0.002 0.000 0.246 599 I C 2.276 178.472 176.117 0.131 0.000 1.093 599 I CA 2.586 63.904 61.300 0.030 0.000 1.355 599 I CB -0.338 37.594 38.000 -0.114 0.000 1.046 599 I HN 0.711 nan 8.210 nan 0.000 0.413 600 H N -0.202 118.906 119.070 0.063 0.000 2.357 600 H HA -0.133 4.425 4.556 0.002 0.000 0.301 600 H C 2.258 177.664 175.328 0.130 0.000 1.082 600 H CA 1.920 57.964 56.048 -0.006 0.000 1.342 600 H CB -0.149 29.511 29.762 -0.170 0.000 1.389 600 H HN 0.273 nan 8.280 nan 0.000 0.511 601 K N -0.114 120.465 120.400 0.298 0.000 2.097 601 K HA -0.199 4.122 4.320 0.002 0.000 0.205 601 K C 1.971 178.800 176.600 0.382 0.000 1.050 601 K CA 1.276 57.748 56.287 0.308 0.000 0.938 601 K CB -0.191 32.499 32.500 0.316 0.000 0.718 601 K HN 0.344 nan 8.250 nan 0.000 0.442 602 W N 1.060 122.484 121.300 0.206 0.000 2.335 602 W HA -0.294 4.367 4.660 0.001 0.000 0.311 602 W C 2.005 178.575 176.519 0.084 0.000 1.213 602 W CA 1.614 58.913 57.345 -0.077 0.000 1.274 602 W CB -0.473 28.859 29.460 -0.214 0.000 1.148 602 W HN 0.124 nan 8.180 nan 0.000 0.498 603 C N 0.056 119.577 119.300 0.369 0.000 2.429 603 C HA -0.122 4.339 4.460 0.002 0.000 0.277 603 C C 2.707 177.728 174.990 0.051 0.000 1.262 603 C CA 1.160 60.312 59.018 0.223 0.000 1.733 603 C CB -1.456 26.511 27.740 0.379 0.000 2.010 603 C HN 0.334 nan 8.230 nan 0.000 0.483 604 R N 0.897 121.436 120.500 0.065 0.000 2.080 604 R HA -0.139 4.202 4.340 0.002 0.000 0.236 604 R C 1.691 177.863 176.300 -0.213 0.000 1.137 604 R CA 1.847 57.915 56.100 -0.052 0.000 0.943 604 R CB -0.447 29.852 30.300 -0.001 0.000 0.846 604 R HN 0.530 nan 8.270 nan 0.000 0.431 605 D N -0.706 119.615 120.400 -0.132 0.000 2.264 605 D HA -0.103 4.537 4.640 0.002 0.000 0.208 605 D C 1.029 177.134 176.300 -0.325 0.000 0.966 605 D CA 1.295 55.163 54.000 -0.220 0.000 0.864 605 D CB -0.099 40.653 40.800 -0.079 0.000 0.933 605 D HN 0.378 nan 8.370 nan 0.000 0.499 606 H N -1.540 117.337 119.070 -0.321 0.000 2.529 606 H HA 0.144 4.700 4.556 0.001 0.000 0.277 606 H C -0.390 175.022 175.328 0.141 0.000 1.004 606 H CA -0.204 55.741 56.048 -0.172 0.000 1.167 606 H CB -0.278 29.140 29.762 -0.572 0.000 1.445 606 H HN 0.008 nan 8.280 nan 0.000 0.554 607 Y N -0.687 119.630 120.300 0.027 0.000 3.234 607 Y HA -0.194 4.356 4.550 0.002 0.000 0.207 607 Y C -0.852 175.081 175.900 0.055 0.000 1.316 607 Y CA -0.274 57.861 58.100 0.059 0.000 1.309 607 Y CB -1.656 36.855 38.460 0.085 0.000 1.408 607 Y HN 0.105 nan 8.280 nan 0.000 0.544 608 L N 0.786 122.050 121.223 0.070 0.000 2.381 608 L HA 0.433 4.774 4.340 0.002 0.000 0.268 608 L C 0.045 176.912 176.870 -0.005 0.000 0.997 608 L CA -1.315 53.502 54.840 -0.038 0.000 0.818 608 L CB 1.544 43.545 42.059 -0.096 0.000 1.310 608 L HN 0.242 nan 8.230 nan 0.000 0.416 609 N N 1.595 120.256 118.700 -0.064 0.000 2.402 609 N HA -0.060 4.681 4.740 0.002 0.000 0.252 609 N C 0.769 176.269 175.510 -0.016 0.000 1.118 609 N CA 0.121 53.165 53.050 -0.011 0.000 0.945 609 N CB 0.320 38.779 38.487 -0.046 0.000 1.147 609 N HN 0.616 nan 8.380 nan 0.000 0.495 610 Y N 4.806 125.112 120.300 0.009 0.000 2.207 610 Y HA -0.182 4.369 4.550 0.002 0.000 0.287 610 Y C 2.398 178.300 175.900 0.002 0.000 1.156 610 Y CA 1.755 59.874 58.100 0.032 0.000 1.182 610 Y CB 0.095 38.648 38.460 0.156 0.000 0.979 610 Y HN 0.588 nan 8.280 nan 0.000 0.521 611 R N -0.411 120.151 120.500 0.103 0.000 2.081 611 R HA -0.144 4.197 4.340 0.002 0.000 0.235 611 R C 2.249 178.488 176.300 -0.102 0.000 1.131 611 R CA 1.796 57.927 56.100 0.051 0.000 0.960 611 R CB -0.344 30.055 30.300 0.166 0.000 0.856 611 R HN 0.325 nan 8.270 nan 0.000 0.436 612 S N 0.769 116.391 115.700 -0.130 0.000 2.387 612 S HA -0.051 4.420 4.470 0.002 0.000 0.226 612 S C 1.866 176.291 174.600 -0.292 0.000 1.026 612 S CA 0.879 58.978 58.200 -0.168 0.000 0.972 612 S CB -0.097 63.013 63.200 -0.150 0.000 0.814 612 S HN 0.262 nan 8.310 nan 0.000 0.477 613 L N 0.796 121.726 121.223 -0.488 0.000 2.056 613 L HA -0.066 4.275 4.340 0.002 0.000 0.207 613 L C 2.696 179.159 176.870 -0.678 0.000 1.078 613 L CA 1.012 55.370 54.840 -0.803 0.000 0.749 613 L CB -0.467 40.655 42.059 -1.562 0.000 0.901 613 L HN 0.294 nan 8.230 nan 0.000 0.433 614 S N -0.585 114.746 115.700 -0.614 0.000 2.383 614 S HA -0.144 4.327 4.470 0.002 0.000 0.227 614 S C 2.104 176.626 174.600 -0.130 0.000 1.026 614 S CA 1.175 59.186 58.200 -0.315 0.000 0.981 614 S CB -0.063 62.866 63.200 -0.452 0.000 0.818 614 S HN 0.451 nan 8.310 nan 0.000 0.472 615 A N 1.088 123.824 122.820 -0.139 0.000 1.930 615 A HA 0.207 4.528 4.320 0.002 0.000 0.217 615 A C 2.369 179.886 177.584 -0.112 0.000 1.175 615 A CA 1.713 53.707 52.037 -0.073 0.000 0.627 615 A CB -1.144 17.832 19.000 -0.041 0.000 0.815 615 A HN 0.653 nan 8.150 nan 0.000 0.443 616 A N -0.156 122.576 122.820 -0.146 0.000 1.930 616 A HA -0.169 4.152 4.320 0.002 0.000 0.217 616 A C 1.864 179.379 177.584 -0.115 0.000 1.175 616 A CA 2.035 53.973 52.037 -0.166 0.000 0.627 616 A CB -0.597 18.296 19.000 -0.179 0.000 0.815 616 A HN 0.486 nan 8.150 nan 0.000 0.443 617 D N 0.008 120.432 120.400 0.039 0.000 2.104 617 D HA -0.199 4.442 4.640 0.002 0.000 0.194 617 D C 1.823 178.152 176.300 0.049 0.000 0.994 617 D CA 1.702 55.815 54.000 0.188 0.000 0.830 617 D CB -0.318 40.648 40.800 0.277 0.000 0.959 617 D HN 0.500 nan 8.370 nan 0.000 0.452 618 N N -0.267 118.436 118.700 0.004 0.000 2.120 618 N HA -0.108 4.632 4.740 0.002 0.000 0.188 618 N C 1.953 177.397 175.510 -0.110 0.000 1.024 618 N CA 1.318 54.362 53.050 -0.010 0.000 0.852 618 N CB -0.314 38.188 38.487 0.024 0.000 1.003 618 N HN 0.252 nan 8.380 nan 0.000 0.424 619 I N 0.082 120.491 120.570 -0.269 0.000 2.208 619 I HA -0.259 3.912 4.170 0.002 0.000 0.245 619 I C 2.679 178.587 176.117 -0.349 0.000 1.097 619 I CA 0.949 61.888 61.300 -0.602 0.000 1.363 619 I CB -0.332 37.205 38.000 -0.771 0.000 1.051 619 I HN 0.243 nan 8.210 nan 0.000 0.413 620 R N 0.569 120.935 120.500 -0.223 0.000 2.083 620 R HA -0.179 4.162 4.340 0.002 0.000 0.237 620 R C 2.491 178.766 176.300 -0.042 0.000 1.137 620 R CA 1.973 57.989 56.100 -0.140 0.000 0.951 620 R CB -0.142 30.050 30.300 -0.179 0.000 0.851 620 R HN 0.226 nan 8.270 nan 0.000 0.434 621 S N 0.381 116.072 115.700 -0.015 0.000 2.359 621 S HA -0.148 4.323 4.470 0.002 0.000 0.224 621 S C 1.815 176.443 174.600 0.047 0.000 1.035 621 S CA 1.184 59.401 58.200 0.028 0.000 1.018 621 S CB -0.120 63.103 63.200 0.039 0.000 0.876 621 S HN 0.365 nan 8.310 nan 0.000 0.448 622 Q N 0.397 120.225 119.800 0.047 0.000 2.119 622 Q HA 0.039 4.380 4.340 0.002 0.000 0.201 622 Q C 2.141 178.244 176.000 0.172 0.000 0.972 622 Q CA 0.818 56.701 55.803 0.133 0.000 0.847 622 Q CB -0.676 28.220 28.738 0.262 0.000 0.903 622 Q HN 0.357 nan 8.270 nan 0.000 0.433 623 L N 1.162 122.475 121.223 0.151 0.000 2.046 623 L HA -0.140 4.201 4.340 0.002 0.000 0.208 623 L C 2.314 179.325 176.870 0.235 0.000 1.077 623 L CA 1.644 56.638 54.840 0.256 0.000 0.747 623 L CB -0.980 41.192 42.059 0.189 0.000 0.896 623 L HN 0.330 nan 8.230 nan 0.000 0.432 624 E N -0.467 119.814 120.200 0.136 0.000 2.085 624 E HA -0.250 4.101 4.350 0.002 0.000 0.194 624 E C 2.337 178.998 176.600 0.102 0.000 0.994 624 E CA 1.182 57.650 56.400 0.113 0.000 0.801 624 E CB 0.069 29.812 29.700 0.071 0.000 0.743 624 E HN 0.362 nan 8.360 nan 0.000 0.453 625 R N 0.038 120.587 120.500 0.081 0.000 2.081 625 R HA -0.113 4.228 4.340 0.002 0.000 0.235 625 R C 2.570 178.883 176.300 0.022 0.000 1.131 625 R CA 1.364 57.489 56.100 0.041 0.000 0.960 625 R CB -0.272 30.049 30.300 0.035 0.000 0.856 625 R HN 0.260 nan 8.270 nan 0.000 0.436 626 L N -0.040 121.224 121.223 0.067 0.000 2.046 626 L HA -0.193 4.147 4.340 0.002 0.000 0.208 626 L C 2.482 179.438 176.870 0.142 0.000 1.077 626 L CA 1.361 56.212 54.840 0.017 0.000 0.747 626 L CB -0.336 41.642 42.059 -0.135 0.000 0.896 626 L HN 0.261 nan 8.230 nan 0.000 0.432 627 M N -0.557 119.203 119.600 0.267 0.000 2.132 627 M HA -0.173 4.308 4.480 0.002 0.000 0.263 627 M C 1.977 178.364 176.300 0.145 0.000 1.065 627 M CA 1.504 56.986 55.300 0.303 0.000 1.122 627 M CB -0.464 32.301 32.600 0.275 0.000 1.365 627 M HN 0.257 nan 8.290 nan 0.000 0.411 628 N N 0.227 118.965 118.700 0.062 0.000 2.120 628 N HA -0.145 4.596 4.740 0.002 0.000 0.188 628 N C 1.643 177.111 175.510 -0.069 0.000 1.024 628 N CA 1.147 54.194 53.050 -0.005 0.000 0.852 628 N CB -0.479 37.996 38.487 -0.019 0.000 1.003 628 N HN 0.341 nan 8.380 nan 0.000 0.424 629 R N -0.367 120.041 120.500 -0.152 0.000 2.096 629 R HA -0.095 4.246 4.340 0.002 0.000 0.235 629 R C 0.664 176.673 176.300 -0.484 0.000 1.127 629 R CA 1.286 57.159 56.100 -0.378 0.000 0.968 629 R CB -0.083 29.863 30.300 -0.590 0.000 0.861 629 R HN 0.252 nan 8.270 nan 0.000 0.440 630 Y N 0.099 120.409 120.300 0.015 0.000 2.524 630 Y HA 0.288 4.839 4.550 0.001 0.000 0.266 630 Y C -0.296 175.644 175.900 0.066 0.000 1.180 630 Y CA -0.297 57.829 58.100 0.043 0.000 1.244 630 Y CB -0.101 38.392 38.460 0.055 0.000 1.125 630 Y HN 0.170 nan 8.280 nan 0.000 0.524 631 N N 0.315 119.083 118.700 0.113 0.000 2.758 631 N HA -0.193 4.548 4.740 0.002 0.000 0.248 631 N C -1.369 174.167 175.510 0.044 0.000 1.076 631 N CA 0.137 53.218 53.050 0.052 0.000 0.696 631 N CB -1.440 37.073 38.487 0.044 0.000 0.979 631 N HN 0.240 nan 8.380 nan 0.000 0.550 632 L N 0.908 122.193 121.223 0.103 0.000 2.259 632 L HA 0.231 4.572 4.340 0.002 0.000 0.288 632 L C 0.948 177.784 176.870 -0.057 0.000 1.051 632 L CA -0.403 54.491 54.840 0.090 0.000 0.824 632 L CB 0.873 43.115 42.059 0.306 0.000 1.206 632 L HN 0.259 nan 8.230 nan 0.000 0.429 633 E N 3.607 123.578 120.200 -0.382 0.000 2.481 633 E HA 0.023 4.374 4.350 0.002 0.000 0.263 633 E C -0.820 175.737 176.600 -0.072 0.000 0.992 633 E CA -0.204 56.023 56.400 -0.288 0.000 0.938 633 E CB 0.705 30.110 29.700 -0.491 0.000 0.933 633 E HN 0.485 nan 8.360 nan 0.000 0.453 634 L N 4.958 126.170 121.223 -0.018 0.000 2.268 634 L HA 0.264 4.604 4.340 0.002 0.000 0.289 634 L C 0.016 176.914 176.870 0.046 0.000 1.064 634 L CA -0.493 54.371 54.840 0.040 0.000 0.824 634 L CB 0.588 42.671 42.059 0.039 0.000 1.202 634 L HN 0.479 nan 8.230 nan 0.000 0.433 635 N N 1.411 120.162 118.700 0.084 0.000 2.384 635 N HA 0.602 5.343 4.740 0.002 0.000 0.301 635 N C -0.680 174.878 175.510 0.079 0.000 1.133 635 N CA -0.267 52.835 53.050 0.087 0.000 0.853 635 N CB 2.317 40.886 38.487 0.137 0.000 1.241 635 N HN 0.394 nan 8.380 nan 0.000 0.502 636 T N -1.144 113.454 114.554 0.074 0.000 2.840 636 T HA 0.578 4.928 4.350 0.002 0.000 0.317 636 T C -1.307 173.445 174.700 0.086 0.000 1.401 636 T CA -0.528 61.622 62.100 0.083 0.000 1.028 636 T CB 0.768 69.698 68.868 0.104 0.000 1.317 636 T HN 0.589 nan 8.240 nan 0.000 0.495 637 T N 0.256 114.881 114.554 0.118 0.000 2.924 637 T HA 0.593 4.944 4.350 0.002 0.000 0.291 637 T C -0.525 174.281 174.700 0.178 0.000 1.045 637 T CA -0.740 61.433 62.100 0.123 0.000 1.015 637 T CB 1.597 70.520 68.868 0.093 0.000 1.103 637 T HN 0.541 nan 8.240 nan 0.000 0.496 638 D N 0.571 121.034 120.400 0.105 0.000 2.531 638 D HA -0.043 4.598 4.640 0.002 0.000 0.239 638 D C 0.732 177.033 176.300 0.002 0.000 1.144 638 D CA 0.065 54.102 54.000 0.062 0.000 0.869 638 D CB 0.244 41.067 40.800 0.039 0.000 1.160 638 D HN 0.655 nan 8.370 nan 0.000 0.484 639 Y N 3.452 123.565 120.300 -0.310 0.000 2.298 639 Y HA -0.197 4.354 4.550 0.002 0.000 0.287 639 Y C 1.595 177.250 175.900 -0.410 0.000 1.164 639 Y CA 1.508 59.148 58.100 -0.766 0.000 1.229 639 Y CB 0.357 38.412 38.460 -0.675 0.000 0.977 639 Y HN 0.473 nan 8.280 nan 0.000 0.538 640 E N -0.174 119.983 120.200 -0.071 0.000 2.427 640 E HA -0.053 4.298 4.350 0.002 0.000 0.196 640 E C 0.740 177.307 176.600 -0.056 0.000 1.028 640 E CA 0.495 56.875 56.400 -0.033 0.000 0.864 640 E CB -0.216 29.507 29.700 0.039 0.000 0.813 640 E HN 0.193 nan 8.360 nan 0.000 0.514 641 S N 2.680 118.347 115.700 -0.055 0.000 2.488 641 S HA 0.083 4.554 4.470 0.002 0.000 0.278 641 S C -1.451 173.158 174.600 0.016 0.000 1.259 641 S CA -1.468 56.732 58.200 -0.001 0.000 1.061 641 S CB 0.890 64.111 63.200 0.034 0.000 0.910 641 S HN -0.111 nan 8.310 nan 0.000 0.491 642 P HA -0.125 nan 4.420 nan 0.000 0.224 642 P C 0.342 177.697 177.300 0.092 0.000 1.142 642 P CA 1.166 64.308 63.100 0.071 0.000 0.778 642 P CB 0.116 31.857 31.700 0.067 0.000 0.764 643 K N -2.272 118.166 120.400 0.064 0.000 2.374 643 K HA -0.009 4.312 4.320 0.002 0.000 0.196 643 K C 1.833 178.435 176.600 0.004 0.000 1.023 643 K CA -0.231 56.082 56.287 0.042 0.000 1.103 643 K CB -0.258 32.251 32.500 0.016 0.000 0.848 643 K HN 0.017 nan 8.250 nan 0.000 0.528 644 Y N 0.976 121.186 120.300 -0.150 0.000 1.993 644 Y HA -0.340 4.211 4.550 0.001 0.000 0.267 644 Y C 1.611 177.340 175.900 -0.284 0.000 1.155 644 Y CA 1.925 59.840 58.100 -0.309 0.000 1.105 644 Y CB -0.341 37.776 38.460 -0.572 0.000 0.960 644 Y HN -0.066 nan 8.280 nan 0.000 0.486 645 F N 0.622 120.560 119.950 -0.020 0.000 2.293 645 F HA -0.147 4.381 4.527 0.001 0.000 0.300 645 F C 2.137 177.860 175.800 -0.128 0.000 1.086 645 F CA 1.490 59.432 58.000 -0.096 0.000 1.375 645 F CB -0.752 38.287 39.000 0.064 0.000 1.045 645 F HN 0.139 nan 8.300 nan 0.000 0.516 646 D N 0.202 120.640 120.400 0.062 0.000 2.092 646 D HA -0.189 4.452 4.640 0.002 0.000 0.193 646 D C 1.823 177.900 176.300 -0.372 0.000 0.994 646 D CA 1.525 55.442 54.000 -0.140 0.000 0.828 646 D CB -0.768 39.982 40.800 -0.084 0.000 0.963 646 D HN 0.338 nan 8.370 nan 0.000 0.450 647 N N 0.028 118.563 118.700 -0.274 0.000 2.104 647 N HA -0.117 4.624 4.740 0.002 0.000 0.190 647 N C 1.962 177.265 175.510 -0.344 0.000 1.024 647 N CA 0.627 53.523 53.050 -0.257 0.000 0.853 647 N CB -0.046 38.341 38.487 -0.167 0.000 1.008 647 N HN 0.168 nan 8.380 nan 0.000 0.424 648 I N 0.924 121.296 120.570 -0.330 0.000 2.252 648 I HA -0.212 3.959 4.170 0.002 0.000 0.245 648 I C 2.290 178.233 176.117 -0.289 0.000 1.102 648 I CA 1.052 62.176 61.300 -0.294 0.000 1.385 648 I CB -0.139 37.711 38.000 -0.250 0.000 1.064 648 I HN 0.100 nan 8.210 nan 0.000 0.414 649 R N 0.711 121.066 120.500 -0.242 0.000 2.120 649 R HA -0.140 4.201 4.340 0.002 0.000 0.234 649 R C 2.264 178.371 176.300 -0.323 0.000 1.123 649 R CA 1.155 57.148 56.100 -0.179 0.000 0.975 649 R CB -0.165 30.161 30.300 0.044 0.000 0.866 649 R HN 0.360 nan 8.270 nan 0.000 0.446 650 K N 0.243 120.291 120.400 -0.587 0.000 2.031 650 K HA -0.021 4.299 4.320 0.002 0.000 0.205 650 K C 2.209 178.155 176.600 -1.090 0.000 1.049 650 K CA 1.169 56.987 56.287 -0.781 0.000 0.939 650 K CB -0.118 31.870 32.500 -0.853 0.000 0.717 650 K HN 0.109 nan 8.250 nan 0.000 0.438 651 A N 1.754 123.816 122.820 -1.264 0.000 1.908 651 A HA -0.193 4.128 4.320 0.002 0.000 0.218 651 A C 2.133 179.460 177.584 -0.428 0.000 1.181 651 A CA 1.326 52.769 52.037 -0.989 0.000 0.627 651 A CB -0.651 18.034 19.000 -0.525 0.000 0.818 651 A HN 0.248 nan 8.150 nan 0.000 0.445 652 L N -0.106 120.924 121.223 -0.322 0.000 1.990 652 L HA -0.166 4.175 4.340 0.002 0.000 0.213 652 L C 2.716 179.553 176.870 -0.054 0.000 1.072 652 L CA 2.480 57.212 54.840 -0.180 0.000 0.755 652 L CB -0.887 40.987 42.059 -0.308 0.000 0.889 652 L HN 0.369 nan 8.230 nan 0.000 0.432 653 A N -0.827 121.928 122.820 -0.109 0.000 1.908 653 A HA -0.269 4.052 4.320 0.002 0.000 0.218 653 A C 2.484 180.156 177.584 0.146 0.000 1.181 653 A CA 2.395 54.454 52.037 0.037 0.000 0.627 653 A CB -1.307 17.703 19.000 0.015 0.000 0.818 653 A HN 0.718 nan 8.150 nan 0.000 0.445 654 S N -0.802 114.909 115.700 0.017 0.000 2.419 654 S HA 0.001 4.472 4.470 0.002 0.000 0.235 654 S C 1.802 176.531 174.600 0.216 0.000 1.019 654 S CA 1.573 59.872 58.200 0.166 0.000 0.982 654 S CB -0.767 62.517 63.200 0.140 0.000 0.789 654 S HN 0.721 nan 8.310 nan 0.000 0.490 655 G N -0.629 108.201 108.800 0.050 0.000 2.608 655 G HA2 0.292 4.253 3.960 0.002 0.000 0.210 655 G HA3 0.292 4.253 3.960 0.002 0.000 0.210 655 G C 0.684 175.258 174.900 -0.543 0.000 1.139 655 G CA -0.145 44.839 45.100 -0.193 0.000 0.812 655 G HN 0.553 nan 8.290 nan 0.000 0.529 656 F N 1.216 121.029 119.950 -0.228 0.000 2.708 656 F HA 0.254 4.782 4.527 0.001 0.000 0.300 656 F C 1.490 177.118 175.800 -0.285 0.000 1.118 656 F CA -1.168 56.649 58.000 -0.306 0.000 1.307 656 F CB 0.089 38.951 39.000 -0.229 0.000 0.986 656 F HN 0.210 nan 8.300 nan 0.000 0.522 657 F N -1.677 118.278 119.950 0.009 0.000 2.408 657 F HA -0.111 4.417 4.527 0.002 0.000 0.300 657 F C 1.598 177.409 175.800 0.019 0.000 1.090 657 F CA 1.012 59.069 58.000 0.095 0.000 1.427 657 F CB -0.913 38.183 39.000 0.159 0.000 1.070 657 F HN 0.011 nan 8.300 nan 0.000 0.549 658 M N 0.100 119.343 119.600 -0.596 0.000 2.495 658 M HA 0.099 4.580 4.480 0.002 0.000 0.237 658 M C 0.128 176.318 176.300 -0.183 0.000 1.131 658 M CA 0.570 55.563 55.300 -0.511 0.000 1.032 658 M CB 0.091 32.198 32.600 -0.823 0.000 1.513 658 M HN 0.188 nan 8.290 nan 0.000 0.488 659 Q N 1.243 120.918 119.800 -0.210 0.000 2.815 659 Q HA 0.383 4.724 4.340 0.002 0.000 0.329 659 Q C -1.157 174.524 176.000 -0.531 0.000 1.037 659 Q CA -0.234 55.265 55.803 -0.506 0.000 1.002 659 Q CB 1.352 29.715 28.738 -0.623 0.000 1.274 659 Q HN 0.099 nan 8.270 nan 0.000 0.452 660 V N 0.540 120.519 119.914 0.108 0.000 2.680 660 V HA 0.831 4.952 4.120 0.002 0.000 0.309 660 V C -0.575 175.887 176.094 0.614 0.000 1.052 660 V CA -0.777 61.764 62.300 0.402 0.000 0.908 660 V CB 1.935 34.093 31.823 0.559 0.000 1.001 660 V HN 0.546 nan 8.190 nan 0.000 0.431 661 A N 3.811 126.965 122.820 0.555 0.000 2.386 661 A HA 0.835 5.156 4.320 0.002 0.000 0.311 661 A C -0.819 176.922 177.584 0.263 0.000 1.068 661 A CA -0.700 51.578 52.037 0.402 0.000 0.743 661 A CB 1.876 21.051 19.000 0.292 0.000 1.258 661 A HN 0.587 nan 8.150 nan 0.000 0.429 662 K N 1.625 122.017 120.400 -0.014 0.000 2.207 662 K HA 0.306 4.627 4.320 0.002 0.000 0.255 662 K C -0.480 175.842 176.600 -0.464 0.000 0.941 662 K CA -0.581 55.375 56.287 -0.552 0.000 0.825 662 K CB 1.453 33.174 32.500 -1.298 0.000 1.119 662 K HN 0.789 nan 8.250 nan 0.000 0.430 663 K N 3.861 123.813 120.400 -0.747 0.000 2.436 663 K HA 0.026 4.346 4.320 0.002 0.000 0.282 663 K C -0.090 176.102 176.600 -0.680 0.000 1.044 663 K CA -0.088 55.483 56.287 -1.193 0.000 1.028 663 K CB 0.516 32.495 32.500 -0.869 0.000 0.919 663 K HN 0.354 nan 8.250 nan 0.000 0.474 664 R N 3.007 123.155 120.500 -0.587 0.000 2.458 664 R HA -0.041 4.300 4.340 0.002 0.000 0.303 664 R C 0.953 177.090 176.300 -0.271 0.000 1.013 664 R CA 0.513 56.418 56.100 -0.325 0.000 1.026 664 R CB 0.566 30.728 30.300 -0.230 0.000 0.948 664 R HN 1.000 nan 8.270 nan 0.000 0.417 665 S N 2.459 118.038 115.700 -0.202 0.000 2.355 665 S HA -0.100 4.371 4.470 0.002 0.000 0.222 665 S C 1.788 176.320 174.600 -0.113 0.000 1.031 665 S CA 0.920 59.029 58.200 -0.152 0.000 0.993 665 S CB -0.039 63.094 63.200 -0.112 0.000 0.859 665 S HN 0.706 nan 8.310 nan 0.000 0.453 666 G N 0.775 109.518 108.800 -0.096 0.000 2.490 666 G HA2 0.389 4.350 3.960 0.002 0.000 0.211 666 G HA3 0.389 4.350 3.960 0.002 0.000 0.211 666 G C 1.390 176.248 174.900 -0.070 0.000 1.159 666 G CA 0.338 45.396 45.100 -0.071 0.000 0.819 666 G HN 0.720 nan 8.290 nan 0.000 0.539 667 A N -0.019 122.752 122.820 -0.083 0.000 2.251 667 A HA 0.371 4.692 4.320 0.002 0.000 0.209 667 A C 1.316 178.851 177.584 -0.082 0.000 1.187 667 A CA 0.728 52.721 52.037 -0.073 0.000 0.823 667 A CB -0.310 18.650 19.000 -0.068 0.000 0.846 667 A HN 0.327 nan 8.150 nan 0.000 0.486 668 K N -1.217 119.117 120.400 -0.110 0.000 2.975 668 K HA -0.212 4.109 4.320 0.002 0.000 0.257 668 K C 0.727 177.266 176.600 -0.102 0.000 1.005 668 K CA 0.411 56.629 56.287 -0.114 0.000 0.738 668 K CB -1.805 30.656 32.500 -0.066 0.000 1.236 668 K HN 0.692 nan 8.250 nan 0.000 0.483 669 G N -0.808 107.914 108.800 -0.130 0.000 3.122 669 G HA2 0.643 4.604 3.960 0.002 0.000 0.180 669 G HA3 0.643 4.604 3.960 0.002 0.000 0.180 669 G C -1.297 173.501 174.900 -0.170 0.000 1.279 669 G CA -0.618 44.448 45.100 -0.057 0.000 0.987 669 G HN 0.116 nan 8.290 nan 0.000 0.589 670 Y N -1.511 118.729 120.300 -0.101 0.000 2.545 670 Y HA 0.647 5.198 4.550 0.002 0.000 0.348 670 Y C -0.537 175.307 175.900 -0.093 0.000 1.002 670 Y CA -0.620 57.414 58.100 -0.109 0.000 1.039 670 Y CB 2.672 41.069 38.460 -0.106 0.000 1.271 670 Y HN 0.461 nan 8.280 nan 0.000 0.467 671 I N 1.879 122.483 120.570 0.056 0.000 2.498 671 I HA 0.456 4.627 4.170 0.002 0.000 0.290 671 I C -0.422 175.771 176.117 0.127 0.000 1.032 671 I CA -0.268 61.063 61.300 0.052 0.000 1.073 671 I CB 1.808 39.805 38.000 -0.004 0.000 1.251 671 I HN 0.660 nan 8.210 nan 0.000 0.426 672 T N 3.874 118.535 114.554 0.178 0.000 2.889 672 T HA 0.311 4.662 4.350 0.002 0.000 0.291 672 T C 1.267 176.143 174.700 0.293 0.000 0.995 672 T CA -0.583 61.694 62.100 0.295 0.000 1.092 672 T CB 1.408 70.497 68.868 0.368 0.000 0.954 672 T HN 0.406 nan 8.240 nan 0.000 0.506 673 V N 1.912 122.061 119.914 0.392 0.000 2.287 673 V HA -0.085 4.036 4.120 0.002 0.000 0.248 673 V C 1.573 177.792 176.094 0.207 0.000 1.053 673 V CA 1.863 64.407 62.300 0.406 0.000 1.027 673 V CB -0.717 31.447 31.823 0.568 0.000 0.646 673 V HN 1.006 nan 8.190 nan 0.000 0.447 674 K N 0.221 120.755 120.400 0.224 0.000 2.276 674 K HA 0.102 4.423 4.320 0.002 0.000 0.285 674 K C 0.127 176.778 176.600 0.086 0.000 1.062 674 K CA 0.106 56.467 56.287 0.122 0.000 0.918 674 K CB 0.650 33.252 32.500 0.169 0.000 1.055 674 K HN 0.297 nan 8.250 nan 0.000 0.477 675 D N 2.510 122.918 120.400 0.013 0.000 2.911 675 D HA -0.237 4.404 4.640 0.002 0.000 0.199 675 D C -0.792 175.525 176.300 0.028 0.000 1.041 675 D CA 1.093 55.095 54.000 0.003 0.000 1.013 675 D CB -1.146 39.646 40.800 -0.013 0.000 1.093 675 D HN 1.025 nan 8.370 nan 0.000 0.431 676 N N 0.424 119.163 118.700 0.064 0.000 2.696 676 N HA -0.247 4.494 4.740 0.002 0.000 0.256 676 N C -0.368 175.186 175.510 0.074 0.000 1.031 676 N CA 0.814 53.910 53.050 0.078 0.000 0.730 676 N CB -0.444 38.075 38.487 0.053 0.000 0.894 676 N HN 0.403 nan 8.380 nan 0.000 0.544 677 Q N 0.918 120.785 119.800 0.112 0.000 2.241 677 Q HA 0.281 4.622 4.340 0.002 0.000 0.254 677 Q C -0.897 175.159 176.000 0.093 0.000 0.917 677 Q CA -0.342 55.532 55.803 0.118 0.000 0.919 677 Q CB 0.950 29.820 28.738 0.221 0.000 1.237 677 Q HN 0.089 nan 8.270 nan 0.000 0.434 678 D N 1.954 122.382 120.400 0.048 0.000 2.308 678 D HA 0.348 4.989 4.640 0.002 0.000 0.251 678 D C -0.655 175.628 176.300 -0.029 0.000 1.127 678 D CA 0.080 54.083 54.000 0.006 0.000 0.876 678 D CB 0.847 41.636 40.800 -0.018 0.000 1.176 678 D HN 0.349 nan 8.370 nan 0.000 0.446 679 V N -0.799 119.078 119.914 -0.061 0.000 3.147 679 V HA 0.661 4.782 4.120 0.002 0.000 0.306 679 V C -1.228 174.792 176.094 -0.123 0.000 1.209 679 V CA -1.076 61.119 62.300 -0.175 0.000 1.023 679 V CB 1.695 33.326 31.823 -0.319 0.000 1.059 679 V HN 0.182 nan 8.190 nan 0.000 0.435 680 L N 2.863 123.970 121.223 -0.194 0.000 2.334 680 L HA 0.612 4.953 4.340 0.002 0.000 0.273 680 L C -0.027 176.832 176.870 -0.019 0.000 1.013 680 L CA -0.793 54.011 54.840 -0.061 0.000 0.816 680 L CB 1.486 43.505 42.059 -0.067 0.000 1.278 680 L HN 0.500 nan 8.230 nan 0.000 0.431 681 I N 2.427 122.972 120.570 -0.041 0.000 2.741 681 I HA -0.061 4.110 4.170 0.002 0.000 0.288 681 I C 0.937 177.087 176.117 0.056 0.000 1.192 681 I CA 0.308 61.558 61.300 -0.083 0.000 1.426 681 I CB -0.582 37.333 38.000 -0.142 0.000 1.367 681 I HN 0.583 nan 8.210 nan 0.000 0.563 682 H N 9.398 128.447 119.070 -0.035 0.000 3.064 682 H HA -0.014 4.543 4.556 0.001 0.000 0.329 682 H C -1.484 173.753 175.328 -0.151 0.000 1.020 682 H CA -0.694 55.278 56.048 -0.126 0.000 1.402 682 H CB 1.086 30.748 29.762 -0.168 0.000 1.379 682 H HN 0.321 nan 8.280 nan 0.000 0.594 683 P HA -0.182 nan 4.420 nan 0.000 0.219 683 P C 1.378 178.622 177.300 -0.094 0.000 1.144 683 P CA 1.906 64.835 63.100 -0.285 0.000 0.806 683 P CB 0.034 31.480 31.700 -0.423 0.000 0.771 684 S N -3.161 112.593 115.700 0.091 0.000 2.547 684 S HA -0.004 4.467 4.470 0.002 0.000 0.235 684 S C 0.711 175.301 174.600 -0.017 0.000 0.980 684 S CA 0.544 58.782 58.200 0.064 0.000 0.941 684 S CB -0.978 62.287 63.200 0.108 0.000 0.763 684 S HN 0.056 nan 8.310 nan 0.000 0.532 685 T N 2.224 116.769 114.554 -0.016 0.000 2.886 685 T HA 0.570 4.921 4.350 0.002 0.000 0.292 685 T C -0.672 174.009 174.700 -0.032 0.000 1.012 685 T CA -0.779 61.299 62.100 -0.036 0.000 0.982 685 T CB 1.965 70.814 68.868 -0.031 0.000 1.018 685 T HN 0.182 nan 8.240 nan 0.000 0.451 686 V N 2.543 122.438 119.914 -0.031 0.000 2.333 686 V HA 0.522 4.643 4.120 0.002 0.000 0.274 686 V C 0.355 176.447 176.094 -0.004 0.000 1.028 686 V CA -1.240 61.050 62.300 -0.018 0.000 0.851 686 V CB -0.182 31.628 31.823 -0.021 0.000 1.000 686 V HN 0.864 nan 8.190 nan 0.000 0.456 687 L N 3.189 124.418 121.223 0.011 0.000 2.453 687 L HA 0.774 5.115 4.340 0.002 0.000 0.272 687 L C 0.747 177.646 176.870 0.048 0.000 1.182 687 L CA 0.257 55.118 54.840 0.035 0.000 0.858 687 L CB -0.201 41.903 42.059 0.075 0.000 1.120 687 L HN 0.693 nan 8.230 nan 0.000 0.474 688 G N -0.077 108.756 108.800 0.054 0.000 2.502 688 G HA2 0.213 4.174 3.960 0.002 0.000 0.305 688 G HA3 0.213 4.174 3.960 0.002 0.000 0.305 688 G C 0.256 175.212 174.900 0.094 0.000 1.190 688 G CA -0.313 44.827 45.100 0.066 0.000 0.933 688 G HN 0.945 nan 8.290 nan 0.000 0.503 689 H N -0.826 118.255 119.070 0.020 0.000 2.389 689 H HA -0.043 4.514 4.556 0.002 0.000 0.299 689 H C 1.341 176.684 175.328 0.024 0.000 1.081 689 H CA 1.912 57.970 56.048 0.017 0.000 1.345 689 H CB 0.392 30.156 29.762 0.004 0.000 1.393 689 H HN 0.411 nan 8.280 nan 0.000 0.520 690 D N 0.122 120.578 120.400 0.092 0.000 2.336 690 D HA 0.080 4.721 4.640 0.002 0.000 0.229 690 D C 0.232 176.549 176.300 0.030 0.000 1.061 690 D CA 0.577 54.606 54.000 0.048 0.000 0.875 690 D CB 0.103 40.953 40.800 0.083 0.000 0.904 690 D HN 0.420 nan 8.370 nan 0.000 0.525 691 A N 1.606 124.451 122.820 0.041 0.000 3.168 691 A HA 0.117 4.438 4.320 0.002 0.000 0.260 691 A C 1.489 179.149 177.584 0.127 0.000 1.598 691 A CA -0.454 51.641 52.037 0.097 0.000 1.285 691 A CB -0.417 18.650 19.000 0.111 0.000 1.149 691 A HN 0.173 nan 8.150 nan 0.000 0.630 692 E N -0.220 120.032 120.200 0.087 0.000 2.072 692 E HA -0.118 4.233 4.350 0.002 0.000 0.191 692 E C -0.394 176.202 176.600 -0.006 0.000 0.985 692 E CA 0.469 56.869 56.400 0.001 0.000 0.801 692 E CB -0.089 29.630 29.700 0.030 0.000 0.750 692 E HN 0.693 nan 8.360 nan 0.000 0.452 693 W N 1.428 122.783 121.300 0.092 0.000 2.587 693 W HA 0.473 5.134 4.660 0.002 0.000 0.324 693 W C -0.745 175.861 176.519 0.144 0.000 1.040 693 W CA -0.912 56.516 57.345 0.138 0.000 1.222 693 W CB 1.937 31.433 29.460 0.061 0.000 1.381 693 W HN -0.080 nan 8.180 nan 0.000 0.483 694 V N 1.359 121.498 119.914 0.375 0.000 2.823 694 V HA 0.644 4.765 4.120 0.002 0.000 0.312 694 V C -0.687 175.570 176.094 0.273 0.000 1.072 694 V CA -1.476 60.973 62.300 0.249 0.000 0.937 694 V CB 1.753 33.636 31.823 0.100 0.000 1.013 694 V HN 0.482 nan 8.190 nan 0.000 0.430 695 I N 4.790 125.468 120.570 0.180 0.000 2.353 695 I HA 0.515 4.686 4.170 0.002 0.000 0.293 695 I C -0.532 175.655 176.117 0.116 0.000 0.992 695 I CA -0.542 60.815 61.300 0.094 0.000 1.268 695 I CB 1.261 39.246 38.000 -0.025 0.000 1.387 695 I HN 0.893 nan 8.210 nan 0.000 0.478 696 Y N 4.038 124.395 120.300 0.095 0.000 2.468 696 Y HA 0.425 4.976 4.550 0.001 0.000 0.342 696 Y C 0.434 176.372 175.900 0.065 0.000 1.021 696 Y CA -1.087 57.059 58.100 0.077 0.000 1.079 696 Y CB 0.679 39.163 38.460 0.040 0.000 1.226 696 Y HN 0.531 nan 8.280 nan 0.000 0.460 697 N N 0.817 119.617 118.700 0.167 0.000 2.333 697 N HA -0.064 4.676 4.740 0.002 0.000 0.178 697 N C -0.405 175.233 175.510 0.213 0.000 1.018 697 N CA 0.661 53.727 53.050 0.026 0.000 0.882 697 N CB 0.448 38.883 38.487 -0.086 0.000 0.984 697 N HN 0.886 nan 8.380 nan 0.000 0.434 698 E N -0.761 119.628 120.200 0.315 0.000 2.366 698 E HA 0.180 4.531 4.350 0.002 0.000 0.278 698 E C -1.969 174.800 176.600 0.281 0.000 0.923 698 E CA -0.558 56.010 56.400 0.280 0.000 0.761 698 E CB 1.451 31.221 29.700 0.118 0.000 1.231 698 E HN -0.047 nan 8.360 nan 0.000 0.443 699 F N 3.623 123.666 119.950 0.155 0.000 2.375 699 F HA 0.382 4.910 4.527 0.001 0.000 0.361 699 F C -0.690 175.159 175.800 0.081 0.000 1.117 699 F CA -0.533 57.515 58.000 0.080 0.000 1.037 699 F CB 1.489 40.547 39.000 0.097 0.000 1.192 699 F HN 0.204 nan 8.300 nan 0.000 0.452 700 V N 7.602 127.595 119.914 0.131 0.000 2.435 700 V HA 0.558 4.679 4.120 0.002 0.000 0.290 700 V C -1.316 174.923 176.094 0.241 0.000 1.030 700 V CA -0.563 61.851 62.300 0.191 0.000 0.881 700 V CB 1.487 33.400 31.823 0.150 0.000 0.983 700 V HN 0.591 nan 8.190 nan 0.000 0.445 701 L N 6.746 128.104 121.223 0.224 0.000 2.445 701 L HA 0.428 4.769 4.340 0.002 0.000 0.252 701 L C 0.917 177.885 176.870 0.163 0.000 1.105 701 L CA 0.601 55.556 54.840 0.192 0.000 0.943 701 L CB 0.970 43.129 42.059 0.166 0.000 1.277 701 L HN 0.903 nan 8.230 nan 0.000 0.465 702 T N -0.717 113.957 114.554 0.200 0.000 3.266 702 T HA -0.014 4.337 4.350 0.002 0.000 0.215 702 T C 1.497 176.268 174.700 0.118 0.000 0.957 702 T CA 1.502 63.700 62.100 0.162 0.000 1.730 702 T CB 0.350 69.334 68.868 0.193 0.000 1.427 702 T HN 0.348 nan 8.240 nan 0.000 0.445 703 S N -0.622 115.150 115.700 0.120 0.000 2.539 703 S HA 0.418 4.889 4.470 0.002 0.000 0.226 703 S C 0.580 175.185 174.600 0.007 0.000 1.054 703 S CA -0.320 57.917 58.200 0.060 0.000 0.910 703 S CB -0.068 63.166 63.200 0.056 0.000 0.818 703 S HN 0.478 nan 8.310 nan 0.000 0.490 704 K N 1.175 121.554 120.400 -0.035 0.000 2.288 704 K HA 0.456 4.777 4.320 0.002 0.000 0.234 704 K C -1.194 175.212 176.600 -0.323 0.000 1.037 704 K CA -0.882 55.254 56.287 -0.252 0.000 0.914 704 K CB 0.449 32.650 32.500 -0.498 0.000 1.197 704 K HN 0.002 nan 8.250 nan 0.000 0.471 705 N N 1.343 119.803 118.700 -0.400 0.000 2.439 705 N HA 0.234 4.975 4.740 0.002 0.000 0.249 705 N C -1.414 173.764 175.510 -0.555 0.000 1.003 705 N CA -0.103 52.767 53.050 -0.301 0.000 0.942 705 N CB 0.330 38.758 38.487 -0.098 0.000 1.115 705 N HN 0.343 nan 8.380 nan 0.000 0.505 706 Y N 0.819 120.972 120.300 -0.246 0.000 2.528 706 Y HA 0.556 5.107 4.550 0.002 0.000 0.335 706 Y C 0.414 176.021 175.900 -0.490 0.000 1.093 706 Y CA -0.808 57.135 58.100 -0.263 0.000 1.134 706 Y CB 1.838 40.272 38.460 -0.044 0.000 1.253 706 Y HN 0.264 nan 8.280 nan 0.000 0.478 707 I N 2.922 123.346 120.570 -0.243 0.000 2.389 707 I HA 0.410 4.581 4.170 0.002 0.000 0.288 707 I C -0.602 175.442 176.117 -0.122 0.000 0.999 707 I CA -0.649 60.409 61.300 -0.404 0.000 1.129 707 I CB 1.228 38.859 38.000 -0.614 0.000 1.288 707 I HN 0.511 nan 8.210 nan 0.000 0.444 708 R N 4.620 125.077 120.500 -0.072 0.000 2.637 708 R HA 0.491 4.832 4.340 0.002 0.000 0.291 708 R C -0.954 175.318 176.300 -0.046 0.000 0.963 708 R CA -0.156 55.897 56.100 -0.079 0.000 0.901 708 R CB 1.731 31.892 30.300 -0.232 0.000 1.160 708 R HN 0.701 nan 8.270 nan 0.000 0.457 709 T N 0.970 115.472 114.554 -0.087 0.000 3.173 709 T HA -0.131 4.220 4.350 0.002 0.000 0.441 709 T C -0.225 174.462 174.700 -0.022 0.000 0.771 709 T CA 0.819 62.838 62.100 -0.136 0.000 2.303 709 T CB -1.794 66.924 68.868 -0.251 0.000 1.682 709 T HN 0.518 nan 8.240 nan 0.000 0.651 710 V N -0.600 119.336 119.914 0.036 0.000 2.667 710 V HA 0.986 5.107 4.120 0.002 0.000 0.308 710 V C 0.156 176.360 176.094 0.183 0.000 1.048 710 V CA -0.611 61.765 62.300 0.128 0.000 0.928 710 V CB 2.652 34.493 31.823 0.030 0.000 1.004 710 V HN 0.578 nan 8.190 nan 0.000 0.444 711 T N 2.658 117.330 114.554 0.197 0.000 2.921 711 T HA 0.521 4.872 4.350 0.002 0.000 0.297 711 T C -0.095 174.680 174.700 0.126 0.000 1.013 711 T CA -0.173 62.023 62.100 0.159 0.000 0.990 711 T CB 1.511 70.458 68.868 0.131 0.000 1.023 711 T HN 1.321 nan 8.240 nan 0.000 0.447 712 S N 1.906 117.687 115.700 0.136 0.000 2.572 712 S HA 0.569 5.040 4.470 0.002 0.000 0.279 712 S C 0.003 174.708 174.600 0.176 0.000 1.341 712 S CA -0.607 57.684 58.200 0.150 0.000 1.043 712 S CB 1.039 64.316 63.200 0.128 0.000 0.887 712 S HN 0.690 nan 8.310 nan 0.000 0.516 713 V N 2.953 122.973 119.914 0.177 0.000 2.888 713 V HA 0.512 4.633 4.120 0.002 0.000 0.309 713 V C -0.671 175.369 176.094 -0.091 0.000 1.114 713 V CA -1.077 61.330 62.300 0.179 0.000 0.940 713 V CB 2.083 34.050 31.823 0.240 0.000 1.021 713 V HN 1.058 nan 8.190 nan 0.000 0.426 714 R N 6.119 126.244 120.500 -0.624 0.000 2.401 714 R HA 0.254 4.595 4.340 0.002 0.000 0.299 714 R C -1.795 174.103 176.300 -0.669 0.000 1.064 714 R CA -1.248 54.301 56.100 -0.917 0.000 1.000 714 R CB 1.054 30.243 30.300 -1.852 0.000 0.973 714 R HN 0.562 nan 8.270 nan 0.000 0.438 715 P HA -0.184 nan 4.420 nan 0.000 0.216 715 P C 0.249 177.179 177.300 -0.617 0.000 1.150 715 P CA 1.278 63.810 63.100 -0.946 0.000 0.837 715 P CB 0.305 31.256 31.700 -1.248 0.000 0.786 716 E N -1.540 118.372 120.200 -0.479 0.000 2.209 716 E HA -0.185 4.166 4.350 0.002 0.000 0.196 716 E C 1.715 178.256 176.600 -0.098 0.000 0.993 716 E CA 0.962 57.196 56.400 -0.278 0.000 0.819 716 E CB -0.897 28.675 29.700 -0.214 0.000 0.745 716 E HN 0.368 nan 8.360 nan 0.000 0.477 717 W N 0.584 121.754 121.300 -0.217 0.000 2.381 717 W HA 0.054 4.714 4.660 0.001 0.000 0.301 717 W C 1.871 178.256 176.519 -0.223 0.000 1.205 717 W CA 0.425 57.671 57.345 -0.165 0.000 1.285 717 W CB -1.095 28.290 29.460 -0.125 0.000 1.133 717 W HN 0.111 nan 8.180 nan 0.000 0.521 718 L N -0.169 120.969 121.223 -0.141 0.000 2.012 718 L HA -0.244 4.097 4.340 0.002 0.000 0.210 718 L C 2.283 178.887 176.870 -0.444 0.000 1.073 718 L CA 1.417 56.002 54.840 -0.425 0.000 0.748 718 L CB -1.024 40.482 42.059 -0.922 0.000 0.891 718 L HN -0.119 nan 8.230 nan 0.000 0.431 719 I N -0.289 120.048 120.570 -0.388 0.000 2.252 719 I HA -0.278 3.893 4.170 0.002 0.000 0.245 719 I C 2.670 178.741 176.117 -0.077 0.000 1.102 719 I CA 1.415 62.603 61.300 -0.187 0.000 1.385 719 I CB -0.374 37.526 38.000 -0.167 0.000 1.064 719 I HN 0.371 nan 8.210 nan 0.000 0.414 720 E N 1.637 121.806 120.200 -0.052 0.000 2.150 720 E HA -0.190 4.161 4.350 0.002 0.000 0.193 720 E C 2.214 178.807 176.600 -0.011 0.000 0.985 720 E CA 1.238 57.635 56.400 -0.005 0.000 0.814 720 E CB 0.067 29.797 29.700 0.049 0.000 0.752 720 E HN 0.529 nan 8.360 nan 0.000 0.466 721 I N 0.242 120.800 120.570 -0.021 0.000 2.867 721 I HA 0.046 4.217 4.170 0.002 0.000 0.265 721 I C 1.058 177.103 176.117 -0.119 0.000 1.162 721 I CA 0.572 61.862 61.300 -0.017 0.000 1.471 721 I CB 0.480 38.500 38.000 0.034 0.000 1.123 721 I HN 0.058 nan 8.210 nan 0.000 0.440 722 A N 0.627 123.343 122.820 -0.173 0.000 3.297 722 A HA 0.440 4.761 4.320 0.002 0.000 0.304 722 A C -1.950 175.637 177.584 0.004 0.000 0.963 722 A CA -0.978 50.879 52.037 -0.300 0.000 0.935 722 A CB -0.331 18.113 19.000 -0.927 0.000 1.093 722 A HN -0.021 nan 8.150 nan 0.000 0.480 723 P HA -0.195 nan 4.420 nan 0.000 0.216 723 P C 1.744 179.137 177.300 0.155 0.000 1.150 723 P CA 2.052 65.203 63.100 0.084 0.000 0.837 723 P CB 0.293 32.014 31.700 0.035 0.000 0.786 724 A N -1.946 120.971 122.820 0.163 0.000 1.969 724 A HA -0.195 4.126 4.320 0.002 0.000 0.218 724 A C 2.246 180.067 177.584 0.394 0.000 1.169 724 A CA 1.260 53.467 52.037 0.284 0.000 0.635 724 A CB -1.699 17.472 19.000 0.285 0.000 0.810 724 A HN 0.184 nan 8.150 nan 0.000 0.445 725 Y N -1.822 118.552 120.300 0.123 0.000 2.314 725 Y HA 0.000 4.551 4.550 0.002 0.000 0.294 725 Y C 0.691 176.568 175.900 -0.039 0.000 1.119 725 Y CA 0.992 58.997 58.100 -0.159 0.000 1.179 725 Y CB 0.116 38.379 38.460 -0.329 0.000 1.025 725 Y HN 0.319 nan 8.280 nan 0.000 0.541 726 Y N 1.052 121.485 120.300 0.222 0.000 2.960 726 Y HA 0.144 4.695 4.550 0.002 0.000 0.393 726 Y C -0.411 175.559 175.900 0.117 0.000 1.118 726 Y CA -0.590 57.641 58.100 0.218 0.000 1.850 726 Y CB -0.282 38.231 38.460 0.088 0.000 1.827 726 Y HN 0.000 nan 8.280 nan 0.000 0.463 727 D N 0.294 120.860 120.400 0.276 0.000 2.392 727 D HA 0.146 4.787 4.640 0.002 0.000 0.228 727 D C 0.541 177.010 176.300 0.281 0.000 1.074 727 D CA -0.410 53.724 54.000 0.224 0.000 0.838 727 D CB 1.135 42.092 40.800 0.261 0.000 1.067 727 D HN 0.173 nan 8.370 nan 0.000 0.511 728 L N 2.740 124.045 121.223 0.137 0.000 2.263 728 L HA -0.143 4.198 4.340 0.002 0.000 0.216 728 L C 2.328 179.343 176.870 0.241 0.000 1.111 728 L CA 1.028 55.942 54.840 0.123 0.000 0.773 728 L CB -0.848 41.210 42.059 -0.002 0.000 0.906 728 L HN 0.326 nan 8.230 nan 0.000 0.439 729 S N 0.474 116.310 115.700 0.227 0.000 2.374 729 S HA -0.220 4.251 4.470 0.002 0.000 0.227 729 S C 1.548 176.235 174.600 0.145 0.000 1.037 729 S CA 1.814 60.133 58.200 0.198 0.000 1.024 729 S CB -0.777 62.591 63.200 0.280 0.000 0.861 729 S HN 0.817 nan 8.310 nan 0.000 0.456 730 N N -0.349 118.438 118.700 0.145 0.000 2.322 730 N HA 0.064 4.805 4.740 0.002 0.000 0.194 730 N C -0.666 174.786 175.510 -0.096 0.000 1.126 730 N CA -0.137 52.916 53.050 0.005 0.000 0.845 730 N CB -0.038 38.416 38.487 -0.054 0.000 0.976 730 N HN 0.197 nan 8.380 nan 0.000 0.475 731 F N 2.374 122.296 119.950 -0.047 0.000 2.411 731 F HA 0.254 4.782 4.527 0.002 0.000 0.350 731 F C 0.997 176.791 175.800 -0.010 0.000 1.114 731 F CA -0.625 57.350 58.000 -0.041 0.000 1.135 731 F CB 1.191 40.179 39.000 -0.019 0.000 1.120 731 F HN -0.061 nan 8.300 nan 0.000 0.495 732 Q N 2.490 122.347 119.800 0.095 0.000 2.535 732 Q HA 0.127 4.468 4.340 0.002 0.000 0.228 732 Q C -0.162 175.903 176.000 0.109 0.000 1.062 732 Q CA -0.618 55.228 55.803 0.072 0.000 0.967 732 Q CB 0.465 29.219 28.738 0.027 0.000 1.273 732 Q HN 0.247 nan 8.270 nan 0.000 0.554 733 K N 1.359 121.801 120.400 0.071 0.000 2.095 733 K HA 0.090 4.411 4.320 0.002 0.000 0.258 733 K C 0.721 177.355 176.600 0.058 0.000 1.120 733 K CA 0.828 57.154 56.287 0.064 0.000 1.026 733 K CB -0.430 32.094 32.500 0.041 0.000 1.256 733 K HN 0.936 nan 8.250 nan 0.000 0.360 734 G N 3.134 111.975 108.800 0.069 0.000 2.396 734 G HA2 -0.435 3.526 3.960 0.002 0.000 0.242 734 G HA3 -0.435 3.526 3.960 0.002 0.000 0.242 734 G C 1.105 176.030 174.900 0.041 0.000 1.069 734 G CA 0.589 45.720 45.100 0.052 0.000 0.633 734 G HN 0.541 nan 8.290 nan 0.000 0.517 735 D N -0.088 120.336 120.400 0.041 0.000 2.421 735 D HA -0.086 4.554 4.640 0.002 0.000 0.195 735 D C 2.431 178.733 176.300 0.004 0.000 1.022 735 D CA 3.358 57.369 54.000 0.019 0.000 0.871 735 D CB -0.118 40.696 40.800 0.024 0.000 1.026 735 D HN 0.728 nan 8.370 nan 0.000 0.462 736 V N -1.487 118.432 119.914 0.007 0.000 3.180 736 V HA 0.015 4.136 4.120 0.002 0.000 0.246 736 V C 1.636 177.744 176.094 0.024 0.000 1.545 736 V CA 0.159 62.450 62.300 -0.014 0.000 1.138 736 V CB 0.181 31.959 31.823 -0.076 0.000 0.978 736 V HN 0.113 nan 8.190 nan 0.000 0.437 737 K N 2.138 122.576 120.400 0.063 0.000 1.973 737 K HA -0.071 4.250 4.320 0.002 0.000 0.212 737 K C 2.042 178.725 176.600 0.138 0.000 1.047 737 K CA 1.848 58.228 56.287 0.155 0.000 0.937 737 K CB -1.098 31.556 32.500 0.257 0.000 0.721 737 K HN 0.408 nan 8.250 nan 0.000 0.440 738 L N 1.493 122.782 121.223 0.111 0.000 1.990 738 L HA -0.221 4.120 4.340 0.002 0.000 0.213 738 L C 2.563 179.441 176.870 0.013 0.000 1.072 738 L CA 1.958 56.808 54.840 0.016 0.000 0.755 738 L CB -0.481 41.633 42.059 0.090 0.000 0.889 738 L HN 0.300 nan 8.230 nan 0.000 0.432 739 S N 0.127 115.851 115.700 0.039 0.000 2.369 739 S HA -0.204 4.267 4.470 0.002 0.000 0.225 739 S C 1.675 176.297 174.600 0.036 0.000 1.043 739 S CA 1.928 60.146 58.200 0.029 0.000 1.074 739 S CB -0.496 62.719 63.200 0.025 0.000 0.962 739 S HN 0.521 nan 8.310 nan 0.000 0.433 740 L N 0.902 122.167 121.223 0.070 0.000 2.492 740 L HA 0.194 4.535 4.340 0.002 0.000 0.223 740 L C 1.680 178.628 176.870 0.130 0.000 1.132 740 L CA 1.463 56.367 54.840 0.107 0.000 0.850 740 L CB -1.426 40.717 42.059 0.140 0.000 0.966 740 L HN 0.114 nan 8.230 nan 0.000 0.454 741 E N 1.426 121.684 120.200 0.097 0.000 2.047 741 E HA -0.167 4.184 4.350 0.002 0.000 0.191 741 E C 2.200 178.767 176.600 -0.055 0.000 0.987 741 E CA 1.178 57.568 56.400 -0.016 0.000 0.799 741 E CB -0.109 29.494 29.700 -0.162 0.000 0.752 741 E HN 0.617 nan 8.360 nan 0.000 0.449 742 R N 0.557 121.033 120.500 -0.041 0.000 2.094 742 R HA -0.124 4.217 4.340 0.002 0.000 0.239 742 R C 2.613 178.899 176.300 -0.024 0.000 1.137 742 R CA 1.427 57.508 56.100 -0.032 0.000 0.943 742 R CB -0.631 29.660 30.300 -0.015 0.000 0.850 742 R HN 0.207 nan 8.270 nan 0.000 0.433 743 I N 1.141 121.707 120.570 -0.006 0.000 2.194 743 I HA -0.306 3.865 4.170 0.002 0.000 0.246 743 I C 2.395 178.500 176.117 -0.020 0.000 1.093 743 I CA 1.369 62.667 61.300 -0.004 0.000 1.355 743 I CB -0.380 37.628 38.000 0.014 0.000 1.046 743 I HN 0.154 nan 8.210 nan 0.000 0.413 744 K N 0.876 121.256 120.400 -0.032 0.000 2.032 744 K HA -0.184 4.137 4.320 0.002 0.000 0.209 744 K C 1.922 178.474 176.600 -0.080 0.000 1.048 744 K CA 1.503 57.744 56.287 -0.076 0.000 0.927 744 K CB -0.376 32.037 32.500 -0.145 0.000 0.712 744 K HN 0.477 nan 8.250 nan 0.000 0.441 745 E N 0.990 121.146 120.200 -0.073 0.000 2.077 745 E HA -0.169 4.182 4.350 0.002 0.000 0.193 745 E C 2.089 178.664 176.600 -0.043 0.000 0.989 745 E CA 1.039 57.403 56.400 -0.061 0.000 0.800 745 E CB -0.099 29.568 29.700 -0.056 0.000 0.746 745 E HN 0.320 nan 8.360 nan 0.000 0.452 746 K N 0.738 121.118 120.400 -0.034 0.000 2.001 746 K HA -0.164 4.157 4.320 0.002 0.000 0.214 746 K C 2.290 178.875 176.600 -0.025 0.000 1.050 746 K CA 1.607 57.879 56.287 -0.024 0.000 0.934 746 K CB -0.411 32.079 32.500 -0.017 0.000 0.718 746 K HN -0.044 nan 8.250 nan 0.000 0.443 747 V N 2.057 121.954 119.914 -0.029 0.000 2.380 747 V HA -0.293 3.828 4.120 0.002 0.000 0.251 747 V C 2.157 178.232 176.094 -0.032 0.000 1.063 747 V CA 1.979 64.261 62.300 -0.029 0.000 1.055 747 V CB -0.462 31.340 31.823 -0.035 0.000 0.657 747 V HN 0.412 nan 8.190 nan 0.000 0.455 748 D N -0.244 120.131 120.400 -0.041 0.000 2.123 748 D HA -0.135 4.506 4.640 0.002 0.000 0.200 748 D C 2.396 178.680 176.300 -0.026 0.000 0.976 748 D CA 1.191 55.167 54.000 -0.039 0.000 0.831 748 D CB 0.126 40.895 40.800 -0.051 0.000 0.974 748 D HN 0.432 nan 8.370 nan 0.000 0.469 749 R N 0.007 120.492 120.500 -0.025 0.000 2.070 749 R HA -0.129 4.212 4.340 0.002 0.000 0.233 749 R C 2.472 178.763 176.300 -0.014 0.000 1.137 749 R CA 0.732 56.821 56.100 -0.018 0.000 0.945 749 R CB -0.536 29.753 30.300 -0.018 0.000 0.845 749 R HN 0.125 nan 8.270 nan 0.000 0.430 750 L N 1.611 122.826 121.223 -0.015 0.000 2.151 750 L HA -0.248 4.093 4.340 0.002 0.000 0.215 750 L C 1.535 178.399 176.870 -0.009 0.000 1.084 750 L CA 1.693 56.526 54.840 -0.011 0.000 0.764 750 L CB -0.797 41.255 42.059 -0.011 0.000 0.891 750 L HN 0.215 nan 8.230 nan 0.000 0.435 751 N N -1.332 117.362 118.700 -0.011 0.000 2.354 751 N HA -0.116 4.625 4.740 0.002 0.000 0.179 751 N C 1.785 177.292 175.510 -0.005 0.000 1.021 751 N CA 0.626 53.671 53.050 -0.008 0.000 0.887 751 N CB -0.040 38.442 38.487 -0.009 0.000 0.974 751 N HN 0.458 nan 8.380 nan 0.000 0.437 752 E N 0.947 121.144 120.200 -0.006 0.000 2.031 752 E HA -0.152 4.199 4.350 0.002 0.000 0.193 752 E C 1.916 178.514 176.600 -0.003 0.000 0.994 752 E CA 0.997 57.395 56.400 -0.004 0.000 0.800 752 E CB -0.029 29.667 29.700 -0.006 0.000 0.752 752 E HN 0.392 nan 8.360 nan 0.000 0.447 753 L N -0.247 120.974 121.223 -0.004 0.000 2.042 753 L HA -0.149 4.192 4.340 0.002 0.000 0.210 753 L C 2.296 179.165 176.870 -0.002 0.000 1.076 753 L CA 1.590 56.428 54.840 -0.003 0.000 0.749 753 L CB -0.529 41.528 42.059 -0.003 0.000 0.893 753 L HN -0.093 nan 8.230 nan 0.000 0.432 754 K N 0.394 120.793 120.400 -0.001 0.000 2.034 754 K HA -0.182 4.139 4.320 0.002 0.000 0.214 754 K C 1.148 177.749 176.600 0.001 0.000 1.051 754 K CA 1.778 58.065 56.287 -0.000 0.000 0.931 754 K CB -0.460 32.040 32.500 -0.000 0.000 0.715 754 K HN 0.544 nan 8.250 nan 0.000 0.446 755 Q N 0.000 119.801 119.800 0.001 0.000 2.315 755 Q HA 0.000 4.341 4.340 0.002 0.000 0.214 755 Q CA 0.000 55.804 55.803 0.002 0.000 1.022 755 Q CB 0.000 28.740 28.738 0.003 0.000 1.108 755 Q HN 0.000 nan 8.270 nan 0.000 0.481