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 2c1l_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNFFSLHPNV YATGRPKGLI GMLENVWVSN HTPGEGTLYL ISGFSNYNGG DATA SEQUENCE VRFYETFTEH INQGGRVIAI LGGSTSQRLS SRQVVEELLN RGVEVHIINR DATA SEQUENCE KRILHAKLYG TSNNLGESLV VSSGNFTGPG MSQNIEASLL LDNNTTQSMG DATA SEQUENCE FSWNDMISEM LNQNWHIHNM TNATDASPGW NLLYDERTTN LTLDETERVT DATA SEQUENCE LIVTLGHADT ARIQAAPGTT AGQGTQYFWL SKDSYDFFPP LTIRNRRGTK DATA SEQUENCE ATYSSLINMN YIDINYTDTQ CRVTFEAENN FDFRLGTGKL RYTGVAKSND DATA SEQUENCE IAAITRVGDS DYELRIIKQG TPEHSQLDPY AVSFIGNRGK RFGYISNEEF DATA SEQUENCE GRIIGVTF 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 0.000 175.980 176.300 -0.533 0.000 1.140 1 M CA 0.000 55.099 55.300 -0.335 0.000 0.988 1 M CB 0.000 32.340 32.600 -0.434 0.000 1.302 2 N N 3.090 121.488 118.700 -0.503 0.000 2.508 2 N HA 0.731 5.472 4.740 0.001 0.000 0.285 2 N C -1.666 173.483 175.510 -0.603 0.000 1.144 2 N CA 0.201 53.030 53.050 -0.368 0.000 0.978 2 N CB 0.881 39.275 38.487 -0.155 0.000 1.180 2 N HN 0.482 nan 8.380 nan 0.000 0.484 3 F N 0.218 120.197 119.950 0.049 0.000 2.601 3 F HA 0.468 4.995 4.527 0.001 0.000 0.309 3 F C -0.659 175.211 175.800 0.116 0.000 1.089 3 F CA -1.046 56.990 58.000 0.060 0.000 0.940 3 F CB 1.821 40.829 39.000 0.013 0.000 1.273 3 F HN 0.260 nan 8.300 nan 0.000 0.450 4 F N 2.059 122.123 119.950 0.190 0.000 2.540 4 F HA 0.720 5.247 4.527 0.001 0.000 0.317 4 F C -0.816 175.038 175.800 0.090 0.000 1.104 4 F CA -0.514 57.560 58.000 0.123 0.000 0.913 4 F CB 1.692 40.766 39.000 0.123 0.000 1.170 4 F HN 0.417 nan 8.300 nan 0.000 0.450 5 S N 6.099 121.264 115.700 -0.892 0.000 2.541 5 S HA 0.732 5.203 4.470 0.001 0.000 0.280 5 S C -1.822 172.324 174.600 -0.757 0.000 1.112 5 S CA -0.807 57.056 58.200 -0.561 0.000 0.925 5 S CB 1.884 64.949 63.200 -0.225 0.000 1.067 5 S HN 0.843 nan 8.310 nan 0.000 0.479 6 L N 4.519 125.620 121.223 -0.204 0.000 2.294 6 L HA 0.539 4.880 4.340 0.001 0.000 0.283 6 L C -0.064 176.831 176.870 0.042 0.000 1.015 6 L CA -0.156 54.656 54.840 -0.047 0.000 0.831 6 L CB 0.842 43.027 42.059 0.209 0.000 1.217 6 L HN 0.999 nan 8.230 nan 0.000 0.420 7 H N 4.039 123.087 119.070 -0.036 0.000 2.676 7 H HA 0.650 5.206 4.556 0.001 0.000 0.352 7 H C -2.802 172.526 175.328 -0.000 0.000 1.193 7 H CA -2.896 53.143 56.048 -0.015 0.000 1.243 7 H CB 1.841 31.583 29.762 -0.033 0.000 1.751 7 H HN 0.356 nan 8.280 nan 0.000 0.567 8 P HA 0.108 nan 4.420 nan 0.000 0.287 8 P C -0.874 176.491 177.300 0.108 0.000 1.307 8 P CA -0.124 63.094 63.100 0.197 0.000 0.777 8 P CB 0.120 31.900 31.700 0.133 0.000 0.883 9 N N 0.869 119.627 118.700 0.098 0.000 2.740 9 N HA -0.142 4.598 4.740 0.001 0.000 0.248 9 N C 0.591 176.147 175.510 0.078 0.000 1.062 9 N CA 0.365 53.455 53.050 0.067 0.000 0.704 9 N CB -1.497 37.013 38.487 0.038 0.000 0.968 9 N HN 0.174 nan 8.380 nan 0.000 0.547 10 V N -1.494 118.486 119.914 0.110 0.000 2.490 10 V HA 0.135 4.255 4.120 0.001 0.000 0.238 10 V C 0.199 176.424 176.094 0.218 0.000 1.056 10 V CA 1.092 63.472 62.300 0.135 0.000 1.075 10 V CB -0.034 31.868 31.823 0.132 0.000 0.746 10 V HN 0.472 nan 8.190 nan 0.000 0.479 11 Y N -0.356 119.995 120.300 0.085 0.000 2.482 11 Y HA 0.722 5.272 4.550 0.001 0.000 0.334 11 Y C -0.898 175.083 175.900 0.135 0.000 1.091 11 Y CA -0.565 57.606 58.100 0.119 0.000 1.027 11 Y CB 1.486 40.043 38.460 0.161 0.000 1.306 11 Y HN 0.158 nan 8.280 nan 0.000 0.446 12 A N 2.557 125.090 122.820 -0.479 0.000 2.520 12 A HA 0.496 4.816 4.320 0.001 0.000 0.298 12 A C 0.260 177.593 177.584 -0.418 0.000 1.051 12 A CA -0.125 51.707 52.037 -0.342 0.000 0.690 12 A CB 0.998 19.915 19.000 -0.137 0.000 1.281 12 A HN 1.039 nan 8.150 nan 0.000 0.402 13 T N -1.071 113.385 114.554 -0.164 0.000 3.067 13 T HA 0.457 4.808 4.350 0.001 0.000 0.261 13 T C 0.963 175.722 174.700 0.098 0.000 1.110 13 T CA 1.303 63.379 62.100 -0.040 0.000 1.113 13 T CB 0.030 68.957 68.868 0.098 0.000 0.917 13 T HN 1.702 nan 8.240 nan 0.000 0.499 14 G N 0.320 109.223 108.800 0.172 0.000 2.896 14 G HA2 0.431 4.391 3.960 0.001 0.000 0.247 14 G HA3 0.431 4.391 3.960 0.001 0.000 0.247 14 G C 0.326 175.201 174.900 -0.042 0.000 1.187 14 G CA -0.218 45.010 45.100 0.214 0.000 0.837 14 G HN 0.097 nan 8.290 nan 0.000 0.559 15 R N 0.421 120.790 120.500 -0.219 0.000 2.070 15 R HA 0.041 4.382 4.340 0.001 0.000 0.233 15 R C -1.349 174.776 176.300 -0.292 0.000 1.137 15 R CA 1.123 57.068 56.100 -0.259 0.000 0.945 15 R CB -1.229 28.893 30.300 -0.297 0.000 0.845 15 R HN 0.313 nan 8.270 nan 0.000 0.430 16 P HA 0.073 nan 4.420 nan 0.000 0.276 16 P C -0.872 176.321 177.300 -0.179 0.000 1.243 16 P CA 0.314 63.234 63.100 -0.300 0.000 0.768 16 P CB 1.169 32.645 31.700 -0.373 0.000 0.856 17 K N 1.537 121.868 120.400 -0.115 0.000 2.358 17 K HA 0.398 4.718 4.320 0.001 0.000 0.200 17 K C 0.944 177.524 176.600 -0.033 0.000 1.030 17 K CA 0.054 56.301 56.287 -0.067 0.000 1.097 17 K CB 0.839 33.317 32.500 -0.036 0.000 0.862 17 K HN 0.691 nan 8.250 nan 0.000 0.534 18 G N 0.094 108.866 108.800 -0.045 0.000 2.428 18 G HA2 0.133 4.094 3.960 0.001 0.000 0.304 18 G HA3 0.133 4.094 3.960 0.001 0.000 0.304 18 G C -0.221 174.681 174.900 0.004 0.000 1.303 18 G CA -0.759 44.371 45.100 0.050 0.000 0.825 18 G HN -0.043 nan 8.290 nan 0.000 0.484 19 L N 0.473 121.761 121.223 0.108 0.000 2.042 19 L HA 0.059 4.399 4.340 0.001 0.000 0.210 19 L C 2.672 179.459 176.870 -0.140 0.000 1.076 19 L CA 1.724 56.550 54.840 -0.023 0.000 0.749 19 L CB -0.507 41.589 42.059 0.062 0.000 0.893 19 L HN 0.566 nan 8.230 nan 0.000 0.432 20 I N -0.304 120.181 120.570 -0.142 0.000 2.163 20 I HA -0.237 3.933 4.170 0.001 0.000 0.243 20 I C 2.502 178.583 176.117 -0.059 0.000 1.085 20 I CA 1.565 62.812 61.300 -0.088 0.000 1.347 20 I CB -1.848 36.088 38.000 -0.106 0.000 1.044 20 I HN 0.432 nan 8.210 nan 0.000 0.408 21 G N 0.725 109.469 108.800 -0.092 0.000 2.442 21 G HA2 -0.245 3.715 3.960 0.001 0.000 0.219 21 G HA3 -0.245 3.715 3.960 0.001 0.000 0.219 21 G C 1.626 176.444 174.900 -0.136 0.000 1.141 21 G CA 0.467 45.506 45.100 -0.102 0.000 0.763 21 G HN 0.173 nan 8.290 nan 0.000 0.554 22 M N 0.131 119.639 119.600 -0.154 0.000 2.132 22 M HA 0.105 4.586 4.480 0.001 0.000 0.263 22 M C 2.634 178.774 176.300 -0.268 0.000 1.065 22 M CA 0.938 56.133 55.300 -0.175 0.000 1.122 22 M CB -1.024 31.487 32.600 -0.148 0.000 1.365 22 M HN 0.203 nan 8.290 nan 0.000 0.411 23 L N -0.491 120.506 121.223 -0.377 0.000 2.156 23 L HA -0.145 4.195 4.340 0.001 0.000 0.208 23 L C 2.288 178.956 176.870 -0.337 0.000 1.095 23 L CA 0.885 55.291 54.840 -0.723 0.000 0.770 23 L CB -0.612 40.786 42.059 -1.102 0.000 0.914 23 L HN 0.353 nan 8.230 nan 0.000 0.439 24 E N 0.290 120.487 120.200 -0.005 0.000 2.110 24 E HA -0.253 4.097 4.350 0.001 0.000 0.193 24 E C 1.798 178.425 176.600 0.044 0.000 0.988 24 E CA 1.506 57.976 56.400 0.116 0.000 0.804 24 E CB -0.136 29.596 29.700 0.052 0.000 0.745 24 E HN 0.528 nan 8.360 nan 0.000 0.458 25 N N 0.246 118.921 118.700 -0.043 0.000 2.062 25 N HA -0.168 4.573 4.740 0.001 0.000 0.191 25 N C 2.061 177.586 175.510 0.026 0.000 1.042 25 N CA 2.030 55.072 53.050 -0.014 0.000 0.845 25 N CB 0.118 38.571 38.487 -0.057 0.000 1.024 25 N HN 0.064 nan 8.380 nan 0.000 0.424 26 V N -2.798 117.075 119.914 -0.068 0.000 2.667 26 V HA 0.041 4.162 4.120 0.001 0.000 0.252 26 V C 1.146 177.301 176.094 0.101 0.000 1.065 26 V CA 0.906 63.191 62.300 -0.025 0.000 1.083 26 V CB -0.755 30.988 31.823 -0.134 0.000 0.692 26 V HN 0.428 nan 8.190 nan 0.000 0.468 27 W N -0.838 120.418 121.300 -0.074 0.000 3.103 27 W HA 0.562 5.223 4.660 0.001 0.000 0.325 27 W C 1.668 178.243 176.519 0.093 0.000 1.170 27 W CA 0.099 57.366 57.345 -0.129 0.000 1.712 27 W CB 0.108 29.415 29.460 -0.256 0.000 1.068 27 W HN 0.184 nan 8.180 nan 0.000 0.592 28 V N -0.631 119.481 119.914 0.329 0.000 3.449 28 V HA -0.063 4.057 4.120 0.001 0.000 0.208 28 V C 2.214 178.442 176.094 0.222 0.000 1.269 28 V CA 1.458 63.933 62.300 0.292 0.000 1.301 28 V CB -0.339 31.640 31.823 0.261 0.000 1.306 28 V HN -0.043 nan 8.190 nan 0.000 0.531 29 S N 1.255 117.054 115.700 0.165 0.000 2.383 29 S HA -0.152 4.318 4.470 0.001 0.000 0.227 29 S C 1.455 176.134 174.600 0.133 0.000 1.026 29 S CA 2.111 60.386 58.200 0.125 0.000 0.981 29 S CB -0.531 62.719 63.200 0.084 0.000 0.818 29 S HN 0.559 nan 8.310 nan 0.000 0.472 30 N N 0.728 119.525 118.700 0.160 0.000 2.276 30 N HA 0.142 4.883 4.740 0.001 0.000 0.212 30 N C -0.466 175.186 175.510 0.237 0.000 1.127 30 N CA -0.243 52.910 53.050 0.172 0.000 0.834 30 N CB 0.000 38.586 38.487 0.164 0.000 1.014 30 N HN 0.706 nan 8.380 nan 0.000 0.491 31 H N -1.838 117.306 119.070 0.124 0.000 2.717 31 H HA 0.474 5.030 4.556 0.001 0.000 0.366 31 H C -1.197 174.206 175.328 0.125 0.000 1.132 31 H CA -0.545 55.581 56.048 0.131 0.000 1.180 31 H CB 1.354 31.206 29.762 0.151 0.000 1.678 31 H HN -0.165 nan 8.280 nan 0.000 0.537 32 T N 7.363 121.604 114.554 -0.522 0.000 2.749 32 T HA 0.278 4.628 4.350 0.001 0.000 0.287 32 T C -2.605 171.710 174.700 -0.642 0.000 0.970 32 T CA -1.359 60.502 62.100 -0.398 0.000 0.980 32 T CB 0.998 69.775 68.868 -0.152 0.000 0.924 32 T HN 0.489 nan 8.240 nan 0.000 0.456 33 P HA 0.177 nan 4.420 nan 0.000 0.261 33 P C 1.036 178.349 177.300 0.021 0.000 1.183 33 P CA 1.008 64.115 63.100 0.010 0.000 0.761 33 P CB 0.244 31.992 31.700 0.080 0.000 0.785 34 G N 2.041 110.900 108.800 0.099 0.000 2.213 34 G HA2 -0.173 3.787 3.960 0.001 0.000 0.226 34 G HA3 -0.173 3.787 3.960 0.001 0.000 0.226 34 G C -0.040 174.824 174.900 -0.060 0.000 0.992 34 G CA -0.462 44.534 45.100 -0.173 0.000 0.632 34 G HN 0.506 nan 8.290 nan 0.000 0.511 35 E N 1.512 121.793 120.200 0.135 0.000 2.152 35 E HA 0.492 4.843 4.350 0.001 0.000 0.285 35 E C 1.144 177.948 176.600 0.340 0.000 1.043 35 E CA 0.755 57.259 56.400 0.173 0.000 0.839 35 E CB 0.769 30.539 29.700 0.116 0.000 1.069 35 E HN 1.473 nan 8.360 nan 0.000 0.399 36 G N 3.925 112.841 108.800 0.193 0.000 2.552 36 G HA2 -0.259 3.701 3.960 0.001 0.000 0.265 36 G HA3 -0.259 3.701 3.960 0.001 0.000 0.265 36 G C -0.328 174.684 174.900 0.188 0.000 1.234 36 G CA 0.010 45.212 45.100 0.170 0.000 0.944 36 G HN 0.511 nan 8.290 nan 0.000 0.568 37 T N 1.088 115.661 114.554 0.032 0.000 2.848 37 T HA 0.612 4.963 4.350 0.001 0.000 0.285 37 T C 0.187 174.555 174.700 -0.553 0.000 0.995 37 T CA -0.470 61.474 62.100 -0.261 0.000 0.970 37 T CB 1.285 69.880 68.868 -0.456 0.000 0.976 37 T HN 0.628 nan 8.240 nan 0.000 0.441 38 L N 3.298 124.087 121.223 -0.724 0.000 2.307 38 L HA 0.567 4.907 4.340 0.001 0.000 0.282 38 L C -0.932 175.386 176.870 -0.919 0.000 1.051 38 L CA -0.929 53.429 54.840 -0.803 0.000 0.804 38 L CB 0.608 42.019 42.059 -1.080 0.000 1.197 38 L HN 0.632 nan 8.230 nan 0.000 0.431 39 Y N 2.968 122.976 120.300 -0.486 0.000 2.429 39 Y HA 0.580 5.130 4.550 0.001 0.000 0.342 39 Y C -0.446 175.358 175.900 -0.159 0.000 1.004 39 Y CA -0.790 56.994 58.100 -0.526 0.000 1.075 39 Y CB 2.211 39.928 38.460 -1.238 0.000 1.214 39 Y HN 0.314 nan 8.280 nan 0.000 0.455 40 L N 5.145 126.379 121.223 0.018 0.000 2.457 40 L HA 0.611 4.951 4.340 0.001 0.000 0.266 40 L C -1.641 175.216 176.870 -0.021 0.000 0.979 40 L CA -0.497 54.383 54.840 0.066 0.000 0.857 40 L CB 0.797 42.755 42.059 -0.168 0.000 1.213 40 L HN 0.537 nan 8.230 nan 0.000 0.418 41 I N 3.497 123.998 120.570 -0.115 0.000 2.418 41 I HA 0.581 4.752 4.170 0.001 0.000 0.287 41 I C -0.439 175.579 176.117 -0.165 0.000 1.008 41 I CA -0.458 60.800 61.300 -0.070 0.000 1.104 41 I CB 1.945 39.966 38.000 0.034 0.000 1.264 41 I HN 0.593 nan 8.210 nan 0.000 0.438 42 S N 3.188 118.874 115.700 -0.024 0.000 2.649 42 S HA 0.429 4.900 4.470 0.001 0.000 0.274 42 S C 0.792 175.448 174.600 0.094 0.000 1.176 42 S CA -0.190 58.050 58.200 0.067 0.000 0.988 42 S CB 1.521 64.866 63.200 0.241 0.000 1.071 42 S HN 0.870 nan 8.310 nan 0.000 0.478 43 G N 3.256 112.107 108.800 0.085 0.000 2.469 43 G HA2 -0.014 3.946 3.960 0.001 0.000 0.219 43 G HA3 -0.014 3.946 3.960 0.001 0.000 0.219 43 G C 0.095 174.955 174.900 -0.067 0.000 1.150 43 G CA 1.122 46.230 45.100 0.012 0.000 0.763 43 G HN 0.529 nan 8.290 nan 0.000 0.561 44 F N 0.055 120.066 119.950 0.102 0.000 2.522 44 F HA 0.616 5.144 4.527 0.001 0.000 0.324 44 F C 0.261 176.196 175.800 0.225 0.000 1.077 44 F CA -0.956 57.138 58.000 0.157 0.000 0.944 44 F CB 2.529 41.607 39.000 0.129 0.000 1.175 44 F HN 0.108 nan 8.300 nan 0.000 0.468 45 S N 1.679 117.634 115.700 0.426 0.000 2.535 45 S HA 0.774 5.244 4.470 0.001 0.000 0.272 45 S C -1.523 173.292 174.600 0.358 0.000 1.149 45 S CA -0.885 57.564 58.200 0.414 0.000 0.888 45 S CB 2.326 65.782 63.200 0.427 0.000 1.110 45 S HN 0.751 nan 8.310 nan 0.000 0.463 46 N N 0.214 119.097 118.700 0.304 0.000 2.774 46 N HA 0.354 5.094 4.740 0.001 0.000 0.264 46 N C -0.036 175.622 175.510 0.246 0.000 1.415 46 N CA -1.094 52.114 53.050 0.263 0.000 0.815 46 N CB -0.027 38.633 38.487 0.290 0.000 1.514 46 N HN 0.515 nan 8.380 nan 0.000 0.523 47 Y N 0.633 121.027 120.300 0.158 0.000 2.145 47 Y HA -0.018 4.532 4.550 0.001 0.000 0.286 47 Y C 1.313 177.296 175.900 0.138 0.000 1.145 47 Y CA 2.053 60.279 58.100 0.211 0.000 1.148 47 Y CB -0.260 38.306 38.460 0.176 0.000 0.981 47 Y HN 0.578 nan 8.280 nan 0.000 0.507 48 N N -0.118 118.699 118.700 0.194 0.000 2.453 48 N HA -0.073 4.667 4.740 0.001 0.000 0.183 48 N C 1.872 177.213 175.510 -0.282 0.000 1.041 48 N CA 1.051 54.122 53.050 0.035 0.000 0.900 48 N CB -0.779 37.830 38.487 0.203 0.000 0.961 48 N HN 0.515 nan 8.380 nan 0.000 0.443 49 G N -0.460 108.150 108.800 -0.318 0.000 2.509 49 G HA2 -0.095 3.865 3.960 0.001 0.000 0.218 49 G HA3 -0.095 3.865 3.960 0.001 0.000 0.218 49 G C 1.275 175.431 174.900 -1.240 0.000 1.124 49 G CA 0.891 45.592 45.100 -0.666 0.000 0.776 49 G HN 0.426 nan 8.290 nan 0.000 0.547 50 G N 0.025 108.244 108.800 -0.968 0.000 2.944 50 G HA2 0.163 4.123 3.960 0.001 0.000 0.220 50 G HA3 0.163 4.123 3.960 0.001 0.000 0.220 50 G C 1.683 175.599 174.900 -1.639 0.000 1.100 50 G CA 0.865 45.259 45.100 -1.177 0.000 0.780 50 G HN 0.508 nan 8.290 nan 0.000 0.539 51 V N 0.171 119.367 119.914 -1.197 0.000 2.469 51 V HA -0.177 3.944 4.120 0.001 0.000 0.251 51 V C 2.542 178.222 176.094 -0.691 0.000 1.064 51 V CA 2.210 63.910 62.300 -1.000 0.000 1.066 51 V CB -0.618 30.777 31.823 -0.713 0.000 0.667 51 V HN 0.292 nan 8.190 nan 0.000 0.461 52 R N 0.550 120.603 120.500 -0.744 0.000 2.152 52 R HA -0.006 4.334 4.340 0.001 0.000 0.232 52 R C 1.571 177.324 176.300 -0.912 0.000 1.117 52 R CA 2.018 57.697 56.100 -0.702 0.000 0.981 52 R CB -0.648 28.992 30.300 -1.100 0.000 0.870 52 R HN 0.614 nan 8.270 nan 0.000 0.451 53 F N -2.537 117.091 119.950 -0.537 0.000 2.728 53 F HA 0.234 4.761 4.527 0.001 0.000 0.314 53 F C 0.846 176.171 175.800 -0.791 0.000 1.094 53 F CA -0.597 57.021 58.000 -0.636 0.000 1.217 53 F CB 0.234 38.825 39.000 -0.682 0.000 1.056 53 F HN -0.087 nan 8.300 nan 0.000 0.577 54 Y N 0.720 120.864 120.300 -0.259 0.000 2.165 54 Y HA -0.256 4.294 4.550 0.001 0.000 0.286 54 Y C 2.207 178.121 175.900 0.023 0.000 1.155 54 Y CA 1.005 59.054 58.100 -0.085 0.000 1.164 54 Y CB -0.185 38.299 38.460 0.039 0.000 0.978 54 Y HN -0.041 nan 8.280 nan 0.000 0.513 55 E N -0.334 119.987 120.200 0.201 0.000 2.106 55 E HA -0.123 4.228 4.350 0.001 0.000 0.192 55 E C 2.217 178.910 176.600 0.154 0.000 0.984 55 E CA 1.566 58.086 56.400 0.199 0.000 0.806 55 E CB -0.447 29.374 29.700 0.201 0.000 0.750 55 E HN 0.281 nan 8.360 nan 0.000 0.458 56 T N 0.147 114.753 114.554 0.087 0.000 2.684 56 T HA -0.138 4.212 4.350 0.001 0.000 0.267 56 T C 1.604 176.411 174.700 0.179 0.000 1.036 56 T CA 1.218 63.389 62.100 0.118 0.000 1.148 56 T CB -0.446 68.506 68.868 0.140 0.000 0.863 56 T HN 0.200 nan 8.240 nan 0.000 0.436 57 F N 1.118 121.118 119.950 0.082 0.000 2.146 57 F HA -0.123 4.404 4.527 0.001 0.000 0.298 57 F C 2.957 178.811 175.800 0.090 0.000 1.096 57 F CA 0.554 58.559 58.000 0.009 0.000 1.275 57 F CB -0.625 38.372 39.000 -0.006 0.000 1.008 57 F HN 0.110 nan 8.300 nan 0.000 0.480 58 T N -0.440 114.299 114.554 0.309 0.000 2.708 58 T HA -0.255 4.095 4.350 0.001 0.000 0.266 58 T C 1.757 176.555 174.700 0.162 0.000 1.037 58 T CA 1.651 63.874 62.100 0.205 0.000 1.146 58 T CB -0.378 68.600 68.868 0.183 0.000 0.865 58 T HN 0.358 nan 8.240 nan 0.000 0.435 59 E N -0.062 120.243 120.200 0.174 0.000 2.110 59 E HA -0.253 4.097 4.350 0.001 0.000 0.193 59 E C 2.058 178.753 176.600 0.159 0.000 0.988 59 E CA 1.282 57.769 56.400 0.145 0.000 0.804 59 E CB -0.130 29.660 29.700 0.149 0.000 0.745 59 E HN 0.648 nan 8.360 nan 0.000 0.458 60 H N 0.233 119.374 119.070 0.119 0.000 2.326 60 H HA -0.028 4.529 4.556 0.001 0.000 0.301 60 H C 1.922 177.285 175.328 0.058 0.000 1.081 60 H CA 2.075 58.193 56.048 0.116 0.000 1.334 60 H CB -0.092 29.753 29.762 0.138 0.000 1.385 60 H HN 0.189 nan 8.280 nan 0.000 0.504 61 I N 0.028 120.606 120.570 0.013 0.000 2.286 61 I HA -0.214 3.956 4.170 0.001 0.000 0.245 61 I C 2.056 178.134 176.117 -0.066 0.000 1.104 61 I CA 1.197 62.447 61.300 -0.084 0.000 1.397 61 I CB -0.327 37.671 38.000 -0.002 0.000 1.072 61 I HN 0.381 nan 8.210 nan 0.000 0.417 62 N N 0.319 119.016 118.700 -0.005 0.000 2.272 62 N HA -0.185 4.555 4.740 0.001 0.000 0.185 62 N C 1.106 176.601 175.510 -0.025 0.000 1.014 62 N CA 0.694 53.743 53.050 -0.001 0.000 0.870 62 N CB 0.101 38.605 38.487 0.029 0.000 0.975 62 N HN 0.360 nan 8.380 nan 0.000 0.433 63 Q N -0.447 119.325 119.800 -0.047 0.000 2.222 63 Q HA 0.144 4.485 4.340 0.001 0.000 0.206 63 Q C 0.824 176.761 176.000 -0.105 0.000 0.877 63 Q CA 0.087 55.855 55.803 -0.059 0.000 0.958 63 Q CB 1.137 29.855 28.738 -0.035 0.000 1.075 63 Q HN 0.472 nan 8.270 nan 0.000 0.483 64 G N -0.138 108.581 108.800 -0.134 0.000 2.159 64 G HA2 -0.197 3.763 3.960 0.001 0.000 0.227 64 G HA3 -0.197 3.763 3.960 0.001 0.000 0.227 64 G C 0.437 175.212 174.900 -0.209 0.000 0.986 64 G CA -0.247 44.774 45.100 -0.132 0.000 0.651 64 G HN 0.552 nan 8.290 nan 0.000 0.523 65 G N -0.732 107.814 108.800 -0.424 0.000 2.547 65 G HA2 0.649 4.610 3.960 0.001 0.000 0.291 65 G HA3 0.649 4.610 3.960 0.001 0.000 0.291 65 G C -0.102 174.577 174.900 -0.368 0.000 1.211 65 G CA -0.030 44.663 45.100 -0.680 0.000 0.950 65 G HN 0.579 nan 8.290 nan 0.000 0.504 66 R N -1.006 119.419 120.500 -0.125 0.000 2.711 66 R HA 0.630 4.970 4.340 0.001 0.000 0.284 66 R C -1.634 174.611 176.300 -0.091 0.000 0.968 66 R CA -0.528 55.520 56.100 -0.087 0.000 0.924 66 R CB 2.120 32.356 30.300 -0.107 0.000 1.162 66 R HN 0.313 nan 8.270 nan 0.000 0.465 67 V N 5.334 125.113 119.914 -0.224 0.000 2.531 67 V HA 0.468 4.588 4.120 0.001 0.000 0.301 67 V C -0.313 175.535 176.094 -0.410 0.000 1.034 67 V CA -0.693 61.332 62.300 -0.459 0.000 0.865 67 V CB 1.827 33.262 31.823 -0.648 0.000 0.995 67 V HN 0.674 nan 8.190 nan 0.000 0.424 68 I N 3.847 124.143 120.570 -0.457 0.000 2.389 68 I HA 0.762 4.932 4.170 0.001 0.000 0.288 68 I C 0.145 176.156 176.117 -0.177 0.000 0.999 68 I CA -0.549 60.619 61.300 -0.220 0.000 1.129 68 I CB 1.900 39.836 38.000 -0.105 0.000 1.288 68 I HN 0.704 nan 8.210 nan 0.000 0.444 69 A N 7.990 130.746 122.820 -0.107 0.000 2.331 69 A HA 0.834 5.155 4.320 0.001 0.000 0.320 69 A C -0.729 176.887 177.584 0.053 0.000 1.138 69 A CA -0.448 51.534 52.037 -0.091 0.000 0.790 69 A CB 0.854 19.747 19.000 -0.179 0.000 1.206 69 A HN 0.684 nan 8.150 nan 0.000 0.470 70 I N 3.484 124.094 120.570 0.066 0.000 2.410 70 I HA 0.398 4.568 4.170 0.001 0.000 0.286 70 I C -0.853 175.300 176.117 0.059 0.000 1.009 70 I CA -0.193 61.172 61.300 0.108 0.000 1.111 70 I CB 1.398 39.470 38.000 0.120 0.000 1.262 70 I HN 0.513 nan 8.210 nan 0.000 0.443 71 L N 4.725 125.981 121.223 0.054 0.000 2.333 71 L HA 0.709 5.049 4.340 0.001 0.000 0.263 71 L C 0.525 177.401 176.870 0.010 0.000 1.014 71 L CA -0.915 53.948 54.840 0.038 0.000 0.820 71 L CB 1.998 44.084 42.059 0.045 0.000 1.352 71 L HN 0.572 nan 8.230 nan 0.000 0.421 72 G N -0.301 108.483 108.800 -0.028 0.000 2.467 72 G HA2 0.573 4.533 3.960 0.001 0.000 0.257 72 G HA3 0.573 4.533 3.960 0.001 0.000 0.257 72 G C -0.359 174.497 174.900 -0.074 0.000 1.227 72 G CA -0.033 45.015 45.100 -0.086 0.000 0.835 72 G HN 0.802 nan 8.290 nan 0.000 0.556 73 G N -1.351 107.404 108.800 -0.074 0.000 2.690 73 G HA2 0.648 4.608 3.960 0.001 0.000 0.293 73 G HA3 0.648 4.608 3.960 0.001 0.000 0.293 73 G C -1.235 173.627 174.900 -0.063 0.000 1.399 73 G CA -0.049 45.016 45.100 -0.059 0.000 0.890 73 G HN 1.226 nan 8.290 nan 0.000 0.485 74 S N -1.227 114.448 115.700 -0.040 0.000 2.542 74 S HA 0.498 4.968 4.470 0.001 0.000 0.276 74 S C 1.002 175.596 174.600 -0.010 0.000 1.148 74 S CA 0.488 58.668 58.200 -0.034 0.000 0.886 74 S CB 1.280 64.453 63.200 -0.045 0.000 1.109 74 S HN 1.425 nan 8.310 nan 0.000 0.458 75 T N 0.320 114.867 114.554 -0.013 0.000 3.085 75 T HA 0.070 4.421 4.350 0.001 0.000 0.263 75 T C 1.292 175.999 174.700 0.012 0.000 1.127 75 T CA 1.239 63.341 62.100 0.003 0.000 1.103 75 T CB -0.327 68.539 68.868 -0.003 0.000 0.921 75 T HN 0.912 nan 8.240 nan 0.000 0.510 76 S N -1.277 114.425 115.700 0.004 0.000 2.666 76 S HA 0.335 4.805 4.470 0.001 0.000 0.239 76 S C 0.166 174.765 174.600 -0.002 0.000 1.031 76 S CA -0.765 57.438 58.200 0.004 0.000 1.015 76 S CB 0.140 63.340 63.200 0.001 0.000 0.981 76 S HN 0.558 nan 8.310 nan 0.000 0.547 77 Q N 0.967 120.762 119.800 -0.008 0.000 2.397 77 Q HA 0.477 4.817 4.340 0.001 0.000 0.275 77 Q C -1.382 174.593 176.000 -0.040 0.000 1.090 77 Q CA -0.749 55.041 55.803 -0.022 0.000 0.809 77 Q CB 1.672 30.394 28.738 -0.027 0.000 1.362 77 Q HN 0.268 nan 8.270 nan 0.000 0.431 78 R N 3.664 124.095 120.500 -0.115 0.000 2.429 78 R HA 0.193 4.533 4.340 0.001 0.000 0.302 78 R C 0.371 176.593 176.300 -0.130 0.000 1.268 78 R CA 0.174 56.068 56.100 -0.343 0.000 1.090 78 R CB 0.170 29.992 30.300 -0.797 0.000 1.102 78 R HN 0.561 nan 8.270 nan 0.000 0.522 79 L N -0.303 120.944 121.223 0.040 0.000 2.416 79 L HA 0.200 4.541 4.340 0.001 0.000 0.188 79 L C 0.422 177.450 176.870 0.264 0.000 1.145 79 L CA 0.531 55.296 54.840 -0.125 0.000 0.826 79 L CB 0.036 41.886 42.059 -0.348 0.000 1.064 79 L HN 0.260 nan 8.230 nan 0.000 0.490 80 S N -0.108 115.765 115.700 0.288 0.000 2.513 80 S HA 0.446 4.916 4.470 0.001 0.000 0.299 80 S C -0.326 174.307 174.600 0.056 0.000 1.087 80 S CA -0.714 57.628 58.200 0.236 0.000 1.012 80 S CB 2.004 65.276 63.200 0.119 0.000 1.044 80 S HN 0.320 nan 8.310 nan 0.000 0.485 81 S N 2.225 117.811 115.700 -0.191 0.000 2.646 81 S HA 0.412 4.882 4.470 0.001 0.000 0.276 81 S C 0.922 175.462 174.600 -0.100 0.000 1.222 81 S CA -0.869 56.995 58.200 -0.560 0.000 1.014 81 S CB 0.909 63.697 63.200 -0.687 0.000 0.991 81 S HN 0.686 nan 8.310 nan 0.000 0.533 82 R N 0.619 121.095 120.500 -0.040 0.000 2.120 82 R HA -0.123 4.217 4.340 0.001 0.000 0.234 82 R C 2.106 178.513 176.300 0.179 0.000 1.123 82 R CA 1.579 57.795 56.100 0.194 0.000 0.975 82 R CB -0.459 29.934 30.300 0.155 0.000 0.866 82 R HN 0.674 nan 8.270 nan 0.000 0.446 83 Q N 0.204 120.055 119.800 0.084 0.000 2.050 83 Q HA -0.116 4.225 4.340 0.001 0.000 0.202 83 Q C 2.154 178.357 176.000 0.340 0.000 0.980 83 Q CA 1.350 57.245 55.803 0.154 0.000 0.840 83 Q CB -0.456 28.328 28.738 0.077 0.000 0.898 83 Q HN 0.139 nan 8.270 nan 0.000 0.424 84 V N -0.417 119.692 119.914 0.324 0.000 2.358 84 V HA -0.183 3.937 4.120 0.001 0.000 0.246 84 V C 1.877 178.134 176.094 0.272 0.000 1.047 84 V CA 1.331 63.846 62.300 0.359 0.000 1.035 84 V CB -0.154 31.886 31.823 0.361 0.000 0.658 84 V HN 0.239 nan 8.190 nan 0.000 0.452 85 V N -0.028 120.020 119.914 0.223 0.000 2.358 85 V HA -0.248 3.872 4.120 0.001 0.000 0.246 85 V C 2.435 178.660 176.094 0.218 0.000 1.047 85 V CA 2.374 64.775 62.300 0.169 0.000 1.035 85 V CB -0.724 31.151 31.823 0.086 0.000 0.658 85 V HN 0.629 nan 8.190 nan 0.000 0.452 86 E N -0.223 120.168 120.200 0.318 0.000 2.049 86 E HA -0.327 4.024 4.350 0.001 0.000 0.198 86 E C 2.254 178.951 176.600 0.163 0.000 1.007 86 E CA 1.898 58.466 56.400 0.280 0.000 0.809 86 E CB -0.107 29.693 29.700 0.167 0.000 0.749 86 E HN 0.584 nan 8.360 nan 0.000 0.450 87 E N 0.717 120.994 120.200 0.129 0.000 2.047 87 E HA -0.138 4.212 4.350 0.001 0.000 0.191 87 E C 2.033 178.626 176.600 -0.011 0.000 0.987 87 E CA 0.896 57.288 56.400 -0.013 0.000 0.799 87 E CB -0.203 29.356 29.700 -0.235 0.000 0.752 87 E HN 0.172 nan 8.360 nan 0.000 0.449 88 L N 0.016 121.289 121.223 0.084 0.000 2.012 88 L HA -0.214 4.126 4.340 0.001 0.000 0.210 88 L C 2.594 179.500 176.870 0.059 0.000 1.073 88 L CA 1.185 56.102 54.840 0.129 0.000 0.748 88 L CB -0.532 41.598 42.059 0.118 0.000 0.891 88 L HN 0.223 nan 8.230 nan 0.000 0.431 89 L N -0.479 120.777 121.223 0.055 0.000 2.046 89 L HA -0.261 4.079 4.340 0.001 0.000 0.208 89 L C 2.422 179.320 176.870 0.047 0.000 1.077 89 L CA 1.489 56.351 54.840 0.035 0.000 0.747 89 L CB -0.705 41.396 42.059 0.069 0.000 0.896 89 L HN 0.439 nan 8.230 nan 0.000 0.432 90 N N 0.081 118.820 118.700 0.065 0.000 2.364 90 N HA -0.170 4.571 4.740 0.001 0.000 0.183 90 N C 1.559 177.101 175.510 0.054 0.000 1.022 90 N CA 0.658 53.741 53.050 0.056 0.000 0.883 90 N CB 0.218 38.737 38.487 0.053 0.000 0.965 90 N HN 0.225 nan 8.380 nan 0.000 0.438 91 R N -0.291 120.249 120.500 0.067 0.000 2.310 91 R HA 0.101 4.442 4.340 0.001 0.000 0.202 91 R C 1.199 177.533 176.300 0.058 0.000 0.933 91 R CA 0.592 56.746 56.100 0.091 0.000 1.054 91 R CB -0.363 30.040 30.300 0.172 0.000 0.985 91 R HN 0.352 nan 8.270 nan 0.000 0.489 92 G N 0.353 109.167 108.800 0.024 0.000 2.159 92 G HA2 -0.249 3.712 3.960 0.001 0.000 0.227 92 G HA3 -0.249 3.712 3.960 0.001 0.000 0.227 92 G C 0.151 175.020 174.900 -0.052 0.000 0.986 92 G CA 0.097 45.191 45.100 -0.010 0.000 0.651 92 G HN 0.128 nan 8.290 nan 0.000 0.523 93 V N 0.865 120.738 119.914 -0.069 0.000 2.740 93 V HA 0.286 4.407 4.120 0.001 0.000 0.303 93 V C 0.791 176.800 176.094 -0.143 0.000 1.054 93 V CA 0.194 62.399 62.300 -0.157 0.000 1.106 93 V CB 1.292 32.987 31.823 -0.214 0.000 0.957 93 V HN 0.415 nan 8.190 nan 0.000 0.486 94 E N 3.022 123.123 120.200 -0.164 0.000 2.089 94 E HA 0.399 4.749 4.350 0.001 0.000 0.284 94 E C -1.054 175.422 176.600 -0.208 0.000 1.023 94 E CA -0.310 55.991 56.400 -0.166 0.000 0.819 94 E CB 1.481 31.130 29.700 -0.086 0.000 1.076 94 E HN 0.452 nan 8.360 nan 0.000 0.396 95 V N 4.842 124.580 119.914 -0.293 0.000 2.417 95 V HA 0.220 4.340 4.120 0.001 0.000 0.291 95 V C -0.261 175.596 176.094 -0.394 0.000 1.024 95 V CA -0.771 61.383 62.300 -0.243 0.000 0.861 95 V CB 1.106 32.827 31.823 -0.170 0.000 0.985 95 V HN 0.685 nan 8.190 nan 0.000 0.436 96 H N 5.048 124.098 119.070 -0.034 0.000 2.489 96 H HA 0.520 5.077 4.556 0.001 0.000 0.343 96 H C -1.025 174.310 175.328 0.011 0.000 1.086 96 H CA -0.706 55.343 56.048 0.002 0.000 1.198 96 H CB 2.488 32.269 29.762 0.032 0.000 1.490 96 H HN 0.338 nan 8.280 nan 0.000 0.504 97 I N 4.645 125.289 120.570 0.123 0.000 2.354 97 I HA 0.262 4.433 4.170 0.001 0.000 0.292 97 I C 0.542 176.746 176.117 0.146 0.000 0.989 97 I CA -0.502 60.842 61.300 0.073 0.000 1.188 97 I CB 1.234 39.214 38.000 -0.033 0.000 1.342 97 I HN 0.433 nan 8.210 nan 0.000 0.457 98 I N 5.714 126.340 120.570 0.093 0.000 2.321 98 I HA 0.228 4.398 4.170 0.001 0.000 0.291 98 I C 0.034 176.169 176.117 0.030 0.000 0.998 98 I CA -0.477 60.874 61.300 0.086 0.000 1.227 98 I CB 1.333 39.333 38.000 -0.001 0.000 1.368 98 I HN 0.494 nan 8.210 nan 0.000 0.466 99 N N 7.327 126.086 118.700 0.099 0.000 2.476 99 N HA 0.465 5.205 4.740 0.001 0.000 0.257 99 N C -1.041 174.514 175.510 0.076 0.000 0.970 99 N CA -0.491 52.599 53.050 0.067 0.000 0.938 99 N CB 1.068 39.622 38.487 0.112 0.000 1.144 99 N HN 0.595 nan 8.380 nan 0.000 0.500 100 R N 3.013 123.495 120.500 -0.029 0.000 2.604 100 R HA 0.255 4.596 4.340 0.001 0.000 0.270 100 R C 0.492 176.753 176.300 -0.066 0.000 1.052 100 R CA -0.575 55.479 56.100 -0.076 0.000 0.902 100 R CB 1.057 31.175 30.300 -0.303 0.000 1.233 100 R HN 0.462 nan 8.270 nan 0.000 0.455 101 K N 1.182 121.564 120.400 -0.030 0.000 2.020 101 K HA -0.040 4.281 4.320 0.001 0.000 0.212 101 K C 0.225 176.798 176.600 -0.045 0.000 1.050 101 K CA 1.275 57.549 56.287 -0.022 0.000 0.929 101 K CB 0.060 32.559 32.500 -0.001 0.000 0.714 101 K HN 0.291 nan 8.250 nan 0.000 0.443 102 R N 2.083 122.543 120.500 -0.067 0.000 2.216 102 R HA 0.155 4.496 4.340 0.001 0.000 0.332 102 R C 0.266 176.492 176.300 -0.123 0.000 1.056 102 R CA -0.146 55.906 56.100 -0.080 0.000 0.901 102 R CB 0.035 30.293 30.300 -0.071 0.000 1.039 102 R HN 0.298 nan 8.270 nan 0.000 0.456 103 I N -0.002 120.515 120.570 -0.088 0.000 3.004 103 I HA 0.130 4.300 4.170 0.001 0.000 0.287 103 I C 0.463 176.513 176.117 -0.111 0.000 1.144 103 I CA -0.881 60.356 61.300 -0.104 0.000 1.353 103 I CB 0.359 38.319 38.000 -0.067 0.000 1.417 103 I HN 0.250 nan 8.210 nan 0.000 0.602 104 L N 4.058 125.191 121.223 -0.150 0.000 2.597 104 L HA 0.004 4.345 4.340 0.001 0.000 0.271 104 L C 0.687 177.576 176.870 0.032 0.000 1.157 104 L CA 0.945 55.723 54.840 -0.103 0.000 0.928 104 L CB -0.700 41.294 42.059 -0.107 0.000 1.216 104 L HN 0.701 nan 8.230 nan 0.000 0.481 105 H N 4.237 123.294 119.070 -0.022 0.000 2.986 105 H HA 0.377 4.933 4.556 0.001 0.000 0.267 105 H C 0.451 175.823 175.328 0.073 0.000 1.072 105 H CA 0.302 56.385 56.048 0.059 0.000 1.202 105 H CB 0.819 30.614 29.762 0.056 0.000 1.535 105 H HN 0.758 nan 8.280 nan 0.000 0.522 106 A N 1.487 124.340 122.820 0.055 0.000 2.425 106 A HA 0.318 4.638 4.320 0.001 0.000 0.242 106 A C -0.395 177.164 177.584 -0.042 0.000 1.077 106 A CA 0.084 52.129 52.037 0.013 0.000 0.781 106 A CB 0.230 19.249 19.000 0.032 0.000 1.020 106 A HN 0.365 nan 8.150 nan 0.000 0.494 107 K N 0.936 121.297 120.400 -0.066 0.000 2.656 107 K HA 0.599 4.919 4.320 0.001 0.000 0.241 107 K C -1.764 174.683 176.600 -0.256 0.000 0.967 107 K CA 0.093 56.295 56.287 -0.142 0.000 0.946 107 K CB 1.421 33.942 32.500 0.035 0.000 1.164 107 K HN 0.425 nan 8.250 nan 0.000 0.459 108 L N 2.659 123.552 121.223 -0.550 0.000 2.455 108 L HA 0.603 4.943 4.340 0.001 0.000 0.264 108 L C -1.192 175.404 176.870 -0.457 0.000 0.968 108 L CA -0.753 53.913 54.840 -0.290 0.000 0.827 108 L CB 1.096 43.163 42.059 0.013 0.000 1.317 108 L HN 0.427 nan 8.230 nan 0.000 0.407 109 Y N 0.313 120.807 120.300 0.323 0.000 2.562 109 Y HA 0.912 5.462 4.550 0.001 0.000 0.345 109 Y C 0.596 176.698 175.900 0.336 0.000 1.045 109 Y CA -0.575 57.676 58.100 0.252 0.000 1.028 109 Y CB 2.746 41.149 38.460 -0.096 0.000 1.297 109 Y HN 0.803 nan 8.280 nan 0.000 0.463 110 G N 0.127 109.175 108.800 0.414 0.000 2.399 110 G HA2 0.479 4.439 3.960 0.001 0.000 0.256 110 G HA3 0.479 4.439 3.960 0.001 0.000 0.256 110 G C -1.219 173.819 174.900 0.230 0.000 1.236 110 G CA -0.244 45.086 45.100 0.384 0.000 0.914 110 G HN 0.971 nan 8.290 nan 0.000 0.482 111 T N -2.738 111.957 114.554 0.235 0.000 2.853 111 T HA 0.761 5.111 4.350 0.001 0.000 0.311 111 T C -1.004 173.855 174.700 0.265 0.000 1.307 111 T CA 0.124 62.289 62.100 0.108 0.000 1.019 111 T CB 1.682 70.617 68.868 0.112 0.000 1.264 111 T HN 1.789 nan 8.240 nan 0.000 0.497 112 S N 1.174 117.021 115.700 0.245 0.000 2.614 112 S HA 0.762 5.233 4.470 0.001 0.000 0.288 112 S C -1.102 173.637 174.600 0.232 0.000 1.137 112 S CA -0.617 57.790 58.200 0.345 0.000 0.992 112 S CB 0.338 63.818 63.200 0.465 0.000 1.026 112 S HN 1.153 nan 8.310 nan 0.000 0.486 113 N N 2.737 121.566 118.700 0.215 0.000 3.418 113 N HA 0.379 5.119 4.740 0.001 0.000 0.316 113 N C 0.237 175.834 175.510 0.144 0.000 1.601 113 N CA -1.007 52.146 53.050 0.171 0.000 0.805 113 N CB -0.199 38.397 38.487 0.181 0.000 1.873 113 N HN 0.435 nan 8.380 nan 0.000 0.615 114 N N -0.818 117.951 118.700 0.115 0.000 2.205 114 N HA -0.050 4.690 4.740 0.001 0.000 0.186 114 N C 1.008 176.574 175.510 0.093 0.000 1.015 114 N CA 0.978 54.082 53.050 0.091 0.000 0.862 114 N CB -0.196 38.335 38.487 0.073 0.000 0.986 114 N HN 0.345 nan 8.380 nan 0.000 0.429 115 L N -0.594 120.693 121.223 0.107 0.000 2.179 115 L HA 0.144 4.485 4.340 0.001 0.000 0.208 115 L C 1.263 178.201 176.870 0.114 0.000 1.096 115 L CA 0.395 55.297 54.840 0.102 0.000 0.779 115 L CB -0.203 41.920 42.059 0.107 0.000 0.922 115 L HN 0.235 nan 8.230 nan 0.000 0.443 116 G N -0.976 107.911 108.800 0.144 0.000 2.345 116 G HA2 0.113 4.073 3.960 0.001 0.000 0.285 116 G HA3 0.113 4.073 3.960 0.001 0.000 0.285 116 G C -1.767 173.271 174.900 0.230 0.000 1.297 116 G CA -0.801 44.396 45.100 0.163 0.000 0.875 116 G HN -0.143 nan 8.290 nan 0.000 0.506 117 E N 0.073 120.432 120.200 0.264 0.000 2.199 117 E HA 0.705 5.056 4.350 0.001 0.000 0.269 117 E C -0.809 176.000 176.600 0.347 0.000 0.899 117 E CA -0.609 56.035 56.400 0.406 0.000 0.772 117 E CB 1.863 31.839 29.700 0.460 0.000 1.155 117 E HN 0.389 nan 8.360 nan 0.000 0.408 118 S N 1.655 117.613 115.700 0.429 0.000 2.513 118 S HA 0.647 5.117 4.470 0.001 0.000 0.299 118 S C -0.875 173.966 174.600 0.402 0.000 1.087 118 S CA -0.708 57.675 58.200 0.307 0.000 1.012 118 S CB 1.288 64.632 63.200 0.241 0.000 1.044 118 S HN 0.370 nan 8.310 nan 0.000 0.485 119 L N 3.197 124.514 121.223 0.156 0.000 2.438 119 L HA 0.711 5.051 4.340 0.001 0.000 0.270 119 L C -1.661 175.219 176.870 0.017 0.000 0.972 119 L CA -0.419 54.446 54.840 0.041 0.000 0.831 119 L CB 1.757 43.512 42.059 -0.506 0.000 1.273 119 L HN 0.467 nan 8.230 nan 0.000 0.405 120 V N 5.635 125.609 119.914 0.101 0.000 2.409 120 V HA 0.567 4.687 4.120 0.001 0.000 0.291 120 V C -0.452 175.699 176.094 0.096 0.000 1.020 120 V CA -0.676 61.672 62.300 0.079 0.000 0.848 120 V CB 1.795 33.667 31.823 0.081 0.000 0.990 120 V HN 0.523 nan 8.190 nan 0.000 0.430 121 V N 4.034 123.966 119.914 0.030 0.000 2.398 121 V HA 0.701 4.821 4.120 0.001 0.000 0.286 121 V C 0.141 176.275 176.094 0.066 0.000 1.026 121 V CA 0.015 62.328 62.300 0.022 0.000 0.868 121 V CB 1.754 33.558 31.823 -0.032 0.000 0.982 121 V HN 0.893 nan 8.190 nan 0.000 0.443 122 S N 2.055 117.810 115.700 0.092 0.000 2.627 122 S HA 0.428 4.898 4.470 0.001 0.000 0.283 122 S C 0.925 175.564 174.600 0.066 0.000 1.127 122 S CA 0.109 58.365 58.200 0.093 0.000 0.863 122 S CB 2.174 65.483 63.200 0.182 0.000 1.121 122 S HN 0.915 nan 8.310 nan 0.000 0.479 123 S N 1.252 116.969 115.700 0.029 0.000 2.527 123 S HA 0.230 4.700 4.470 0.001 0.000 0.222 123 S C 0.927 175.534 174.600 0.012 0.000 0.985 123 S CA 0.192 58.398 58.200 0.010 0.000 0.921 123 S CB -0.420 62.773 63.200 -0.013 0.000 0.772 123 S HN 0.928 nan 8.310 nan 0.000 0.529 124 G N 2.132 110.967 108.800 0.058 0.000 2.333 124 G HA2 0.388 4.348 3.960 0.001 0.000 0.290 124 G HA3 0.388 4.348 3.960 0.001 0.000 0.290 124 G C -0.209 174.814 174.900 0.205 0.000 1.150 124 G CA -0.683 44.470 45.100 0.089 0.000 0.895 124 G HN 0.224 nan 8.290 nan 0.000 0.444 125 N N 0.867 119.668 118.700 0.168 0.000 2.326 125 N HA -0.003 4.737 4.740 0.001 0.000 0.239 125 N C -0.321 175.404 175.510 0.358 0.000 1.301 125 N CA -0.049 53.175 53.050 0.290 0.000 0.909 125 N CB 0.991 39.625 38.487 0.246 0.000 1.156 125 N HN 0.414 nan 8.380 nan 0.000 0.462 126 F N 1.232 121.350 119.950 0.279 0.000 2.666 126 F HA 0.063 4.591 4.527 0.001 0.000 0.362 126 F C 0.424 176.310 175.800 0.144 0.000 1.190 126 F CA -0.233 57.894 58.000 0.212 0.000 1.328 126 F CB -0.426 38.763 39.000 0.316 0.000 1.682 126 F HN 0.282 nan 8.300 nan 0.000 0.623 127 T N -2.003 112.558 114.554 0.012 0.000 2.883 127 T HA 0.469 4.820 4.350 0.001 0.000 0.296 127 T C 1.124 175.772 174.700 -0.087 0.000 1.117 127 T CA -0.389 61.718 62.100 0.011 0.000 1.006 127 T CB 1.222 70.158 68.868 0.113 0.000 1.191 127 T HN 0.141 nan 8.240 nan 0.000 0.508 128 G N 1.055 109.836 108.800 -0.032 0.000 2.514 128 G HA2 -0.095 3.866 3.960 0.001 0.000 0.217 128 G HA3 -0.095 3.866 3.960 0.001 0.000 0.217 128 G C -0.963 173.950 174.900 0.021 0.000 1.198 128 G CA 1.150 46.254 45.100 0.006 0.000 0.780 128 G HN 0.657 nan 8.290 nan 0.000 0.565 129 P HA -0.035 nan 4.420 nan 0.000 0.216 129 P C 2.105 179.428 177.300 0.039 0.000 1.150 129 P CA 1.729 64.837 63.100 0.012 0.000 0.837 129 P CB -0.445 31.247 31.700 -0.013 0.000 0.786 130 G N -0.727 108.090 108.800 0.029 0.000 2.422 130 G HA2 -0.211 3.750 3.960 0.001 0.000 0.218 130 G HA3 -0.211 3.750 3.960 0.001 0.000 0.218 130 G C 1.286 176.252 174.900 0.111 0.000 1.146 130 G CA 0.748 45.890 45.100 0.070 0.000 0.769 130 G HN 0.153 nan 8.290 nan 0.000 0.547 131 M N 1.071 120.653 119.600 -0.029 0.000 2.561 131 M HA 0.174 4.655 4.480 0.001 0.000 0.238 131 M C 1.852 178.099 176.300 -0.087 0.000 1.131 131 M CA 0.781 55.995 55.300 -0.143 0.000 1.046 131 M CB -0.069 32.272 32.600 -0.432 0.000 1.532 131 M HN 0.448 nan 8.290 nan 0.000 0.497 132 S N -0.720 114.991 115.700 0.019 0.000 3.385 132 S HA 0.204 4.674 4.470 0.001 0.000 0.176 132 S C 1.337 175.965 174.600 0.047 0.000 0.851 132 S CA -0.394 57.825 58.200 0.032 0.000 1.039 132 S CB 0.738 63.990 63.200 0.087 0.000 1.241 132 S HN 0.197 nan 8.310 nan 0.000 0.859 133 Q N 1.489 121.313 119.800 0.039 0.000 2.384 133 Q HA 0.375 4.716 4.340 0.001 0.000 0.207 133 Q C -0.421 175.612 176.000 0.055 0.000 0.904 133 Q CA -0.025 55.795 55.803 0.029 0.000 0.933 133 Q CB -0.332 28.328 28.738 -0.130 0.000 1.077 133 Q HN 0.442 nan 8.270 nan 0.000 0.522 134 N N 1.155 119.894 118.700 0.065 0.000 2.395 134 N HA 0.019 4.759 4.740 0.001 0.000 0.246 134 N C -0.091 175.422 175.510 0.005 0.000 1.246 134 N CA 0.337 53.397 53.050 0.017 0.000 0.879 134 N CB 0.531 39.016 38.487 -0.002 0.000 1.098 134 N HN 0.104 nan 8.380 nan 0.000 0.444 135 I N 2.305 122.849 120.570 -0.043 0.000 2.406 135 I HA 0.025 4.195 4.170 0.001 0.000 0.293 135 I C 0.375 176.375 176.117 -0.194 0.000 1.101 135 I CA 0.251 61.499 61.300 -0.086 0.000 1.334 135 I CB 0.102 38.079 38.000 -0.039 0.000 1.421 135 I HN 0.153 nan 8.210 nan 0.000 0.513 136 E N 5.700 125.628 120.200 -0.454 0.000 2.266 136 E HA 0.641 4.992 4.350 0.001 0.000 0.268 136 E C -0.897 175.456 176.600 -0.412 0.000 0.879 136 E CA -0.889 55.221 56.400 -0.483 0.000 0.762 136 E CB 2.556 31.845 29.700 -0.686 0.000 1.199 136 E HN 0.554 nan 8.360 nan 0.000 0.422 137 A N 1.698 124.393 122.820 -0.207 0.000 2.292 137 A HA 0.667 4.987 4.320 0.001 0.000 0.319 137 A C -0.426 177.052 177.584 -0.177 0.000 1.206 137 A CA -0.454 51.477 52.037 -0.177 0.000 0.835 137 A CB 0.689 19.731 19.000 0.071 0.000 1.164 137 A HN 0.448 nan 8.150 nan 0.000 0.505 138 S N 0.778 116.276 115.700 -0.336 0.000 2.541 138 S HA 0.666 5.136 4.470 0.001 0.000 0.280 138 S C -1.338 173.170 174.600 -0.154 0.000 1.112 138 S CA -0.461 57.643 58.200 -0.160 0.000 0.925 138 S CB 1.557 64.690 63.200 -0.111 0.000 1.067 138 S HN 0.844 nan 8.310 nan 0.000 0.479 139 L N 3.101 124.343 121.223 0.032 0.000 2.381 139 L HA 0.745 5.086 4.340 0.001 0.000 0.274 139 L C -1.722 175.192 176.870 0.075 0.000 0.988 139 L CA -0.730 54.187 54.840 0.128 0.000 0.824 139 L CB 1.554 43.724 42.059 0.184 0.000 1.263 139 L HN 0.643 nan 8.230 nan 0.000 0.410 140 L N 6.074 127.360 121.223 0.105 0.000 2.319 140 L HA 0.618 4.959 4.340 0.001 0.000 0.281 140 L C -1.622 175.290 176.870 0.070 0.000 1.005 140 L CA -0.197 54.699 54.840 0.094 0.000 0.828 140 L CB 1.256 43.412 42.059 0.162 0.000 1.227 140 L HN 0.557 nan 8.230 nan 0.000 0.415 141 L N 4.489 125.721 121.223 0.015 0.000 2.307 141 L HA 0.468 4.809 4.340 0.001 0.000 0.284 141 L C -0.307 176.574 176.870 0.020 0.000 1.023 141 L CA -0.973 53.858 54.840 -0.015 0.000 0.810 141 L CB 1.638 43.652 42.059 -0.076 0.000 1.231 141 L HN 0.682 nan 8.230 nan 0.000 0.423 142 D N 1.234 121.646 120.400 0.020 0.000 2.433 142 D HA 0.055 4.696 4.640 0.001 0.000 0.255 142 D C 0.598 176.937 176.300 0.065 0.000 1.226 142 D CA -0.439 53.594 54.000 0.055 0.000 1.015 142 D CB 0.507 41.329 40.800 0.037 0.000 1.091 142 D HN 0.433 nan 8.370 nan 0.000 0.527 143 N N -0.634 118.119 118.700 0.089 0.000 2.069 143 N HA -0.229 4.511 4.740 0.001 0.000 0.191 143 N C 1.527 177.082 175.510 0.074 0.000 1.031 143 N CA 0.891 54.001 53.050 0.101 0.000 0.852 143 N CB -0.205 38.344 38.487 0.105 0.000 1.018 143 N HN 0.495 nan 8.380 nan 0.000 0.423 144 N N 0.485 119.216 118.700 0.052 0.000 2.069 144 N HA -0.131 4.609 4.740 0.001 0.000 0.191 144 N C 1.187 176.714 175.510 0.029 0.000 1.031 144 N CA 1.502 54.574 53.050 0.036 0.000 0.852 144 N CB 0.078 38.578 38.487 0.022 0.000 1.018 144 N HN 0.151 nan 8.380 nan 0.000 0.423 145 T N -0.260 114.305 114.554 0.017 0.000 2.777 145 T HA -0.107 4.243 4.350 0.001 0.000 0.266 145 T C 2.017 176.726 174.700 0.014 0.000 1.040 145 T CA 1.876 63.978 62.100 0.004 0.000 1.141 145 T CB -0.637 68.220 68.868 -0.017 0.000 0.868 145 T HN 0.562 nan 8.240 nan 0.000 0.444 146 T N 0.815 115.388 114.554 0.031 0.000 2.788 146 T HA -0.160 4.190 4.350 0.001 0.000 0.268 146 T C 1.983 176.742 174.700 0.098 0.000 1.044 146 T CA 1.228 63.371 62.100 0.071 0.000 1.139 146 T CB -0.415 68.527 68.868 0.123 0.000 0.867 146 T HN 0.372 nan 8.240 nan 0.000 0.454 147 Q N 0.996 120.843 119.800 0.078 0.000 2.020 147 Q HA -0.117 4.223 4.340 0.001 0.000 0.202 147 Q C 2.552 178.577 176.000 0.042 0.000 0.982 147 Q CA 1.858 57.699 55.803 0.062 0.000 0.838 147 Q CB -0.332 28.440 28.738 0.056 0.000 0.899 147 Q HN 0.583 nan 8.270 nan 0.000 0.423 148 S N 0.208 115.927 115.700 0.032 0.000 2.400 148 S HA -0.131 4.340 4.470 0.001 0.000 0.232 148 S C 1.738 176.350 174.600 0.019 0.000 1.025 148 S CA 1.340 59.552 58.200 0.020 0.000 0.993 148 S CB -0.118 63.089 63.200 0.011 0.000 0.808 148 S HN 0.396 nan 8.310 nan 0.000 0.478 149 M N -0.070 119.546 119.600 0.027 0.000 2.506 149 M HA 0.143 4.623 4.480 0.001 0.000 0.260 149 M C 1.507 177.829 176.300 0.036 0.000 1.104 149 M CA 0.653 55.969 55.300 0.028 0.000 1.112 149 M CB 0.087 32.708 32.600 0.036 0.000 1.401 149 M HN 0.465 nan 8.290 nan 0.000 0.473 150 G N 1.176 110.001 108.800 0.042 0.000 2.137 150 G HA2 -0.280 3.680 3.960 0.001 0.000 0.237 150 G HA3 -0.280 3.680 3.960 0.001 0.000 0.237 150 G C -0.156 174.757 174.900 0.021 0.000 1.002 150 G CA -0.459 44.654 45.100 0.021 0.000 0.702 150 G HN 0.438 nan 8.290 nan 0.000 0.515 151 F N 1.934 121.832 119.950 -0.087 0.000 2.456 151 F HA 0.624 5.151 4.527 0.001 0.000 0.358 151 F C 0.464 176.177 175.800 -0.145 0.000 1.095 151 F CA 0.057 57.969 58.000 -0.148 0.000 1.216 151 F CB 1.535 40.415 39.000 -0.200 0.000 1.125 151 F HN 0.256 nan 8.300 nan 0.000 0.549 152 S N 5.948 120.978 115.700 -1.116 0.000 2.672 152 S HA 0.213 4.683 4.470 0.001 0.000 0.291 152 S C 0.198 174.189 174.600 -1.015 0.000 1.145 152 S CA -0.803 56.933 58.200 -0.774 0.000 1.013 152 S CB 0.270 63.259 63.200 -0.352 0.000 1.017 152 S HN 0.867 nan 8.310 nan 0.000 0.487 153 W N 3.821 124.696 121.300 -0.709 0.000 2.335 153 W HA -0.112 4.548 4.660 0.001 0.000 0.311 153 W C 2.561 178.798 176.519 -0.471 0.000 1.213 153 W CA 1.512 58.485 57.345 -0.621 0.000 1.274 153 W CB -0.182 28.851 29.460 -0.712 0.000 1.148 153 W HN 0.770 nan 8.180 nan 0.000 0.498 154 N N 0.140 118.815 118.700 -0.042 0.000 2.166 154 N HA -0.178 4.562 4.740 0.001 0.000 0.186 154 N C 1.097 176.556 175.510 -0.085 0.000 1.019 154 N CA 1.633 54.675 53.050 -0.013 0.000 0.856 154 N CB -0.211 38.299 38.487 0.039 0.000 0.993 154 N HN 0.067 nan 8.380 nan 0.000 0.426 155 D N 0.861 121.167 120.400 -0.157 0.000 2.097 155 D HA -0.156 4.484 4.640 0.001 0.000 0.197 155 D C 1.923 178.114 176.300 -0.180 0.000 0.984 155 D CA 0.700 54.601 54.000 -0.165 0.000 0.826 155 D CB -0.261 40.420 40.800 -0.198 0.000 0.973 155 D HN 0.349 nan 8.370 nan 0.000 0.460 156 M N 0.242 119.688 119.600 -0.256 0.000 2.086 156 M HA -0.159 4.322 4.480 0.001 0.000 0.261 156 M C 1.748 177.986 176.300 -0.104 0.000 1.067 156 M CA 1.305 56.486 55.300 -0.198 0.000 1.116 156 M CB 0.081 32.521 32.600 -0.267 0.000 1.348 156 M HN -0.085 nan 8.290 nan 0.000 0.407 157 I N 0.158 120.685 120.570 -0.072 0.000 2.226 157 I HA -0.234 3.936 4.170 0.001 0.000 0.245 157 I C 2.361 178.439 176.117 -0.066 0.000 1.100 157 I CA 1.337 62.621 61.300 -0.027 0.000 1.374 157 I CB -1.640 36.377 38.000 0.028 0.000 1.057 157 I HN 0.340 nan 8.210 nan 0.000 0.413 158 S N 0.689 116.344 115.700 -0.076 0.000 2.370 158 S HA -0.163 4.308 4.470 0.001 0.000 0.226 158 S C 1.812 176.337 174.600 -0.126 0.000 1.033 158 S CA 1.111 59.257 58.200 -0.090 0.000 1.011 158 S CB -0.188 62.965 63.200 -0.078 0.000 0.852 158 S HN 0.453 nan 8.310 nan 0.000 0.457 159 E N 1.332 121.450 120.200 -0.136 0.000 2.077 159 E HA -0.037 4.314 4.350 0.001 0.000 0.193 159 E C 2.043 178.488 176.600 -0.260 0.000 0.989 159 E CA 0.856 57.149 56.400 -0.177 0.000 0.800 159 E CB -0.426 29.183 29.700 -0.153 0.000 0.746 159 E HN 0.550 nan 8.360 nan 0.000 0.452 160 M N 0.255 119.735 119.600 -0.200 0.000 2.149 160 M HA -0.147 4.334 4.480 0.001 0.000 0.261 160 M C 2.165 178.290 176.300 -0.292 0.000 1.064 160 M CA 1.203 56.364 55.300 -0.231 0.000 1.102 160 M CB -0.270 32.354 32.600 0.040 0.000 1.369 160 M HN 0.032 nan 8.290 nan 0.000 0.408 161 L N -0.356 120.750 121.223 -0.194 0.000 2.610 161 L HA -0.061 4.279 4.340 0.001 0.000 0.232 161 L C 0.561 177.309 176.870 -0.203 0.000 1.149 161 L CA 0.322 55.063 54.840 -0.165 0.000 0.872 161 L CB -0.358 41.621 42.059 -0.133 0.000 0.992 161 L HN 0.331 nan 8.230 nan 0.000 0.447 162 N N -0.071 118.460 118.700 -0.282 0.000 2.599 162 N HA 0.104 4.845 4.740 0.001 0.000 0.309 162 N C 0.258 175.539 175.510 -0.382 0.000 1.743 162 N CA 0.017 52.907 53.050 -0.267 0.000 0.918 162 N CB 1.025 39.398 38.487 -0.189 0.000 1.339 162 N HN 0.224 nan 8.380 nan 0.000 0.493 163 Q N 0.063 119.497 119.800 -0.610 0.000 2.217 163 Q HA 0.192 4.532 4.340 0.001 0.000 0.217 163 Q C -0.123 175.554 176.000 -0.538 0.000 0.844 163 Q CA -0.042 55.274 55.803 -0.812 0.000 0.957 163 Q CB 0.398 27.975 28.738 -1.935 0.000 1.127 163 Q HN 0.223 nan 8.270 nan 0.000 0.503 164 N N 0.033 118.536 118.700 -0.329 0.000 2.780 164 N HA -0.155 4.585 4.740 0.001 0.000 0.248 164 N C -1.113 174.373 175.510 -0.040 0.000 1.102 164 N CA 0.566 53.527 53.050 -0.149 0.000 0.697 164 N CB -1.206 37.219 38.487 -0.104 0.000 1.028 164 N HN 0.272 nan 8.380 nan 0.000 0.554 165 W N 0.590 121.797 121.300 -0.154 0.000 2.253 165 W HA 0.295 4.955 4.660 0.001 0.000 0.348 165 W C 1.186 177.585 176.519 -0.200 0.000 1.229 165 W CA -0.361 56.867 57.345 -0.196 0.000 1.335 165 W CB -0.192 29.219 29.460 -0.081 0.000 1.165 165 W HN 0.105 nan 8.180 nan 0.000 0.631 166 H N 1.675 120.887 119.070 0.237 0.000 2.969 166 H HA 0.343 4.899 4.556 0.001 0.000 0.269 166 H C -0.206 175.223 175.328 0.167 0.000 1.223 166 H CA -0.076 56.050 56.048 0.131 0.000 1.400 166 H CB 0.001 29.844 29.762 0.135 0.000 1.500 166 H HN -0.039 nan 8.280 nan 0.000 0.486 167 I N 3.896 124.589 120.570 0.205 0.000 2.382 167 I HA 0.165 4.335 4.170 0.001 0.000 0.286 167 I C -0.105 176.052 176.117 0.067 0.000 1.002 167 I CA -0.602 60.817 61.300 0.199 0.000 1.135 167 I CB 1.092 39.206 38.000 0.190 0.000 1.288 167 I HN 0.605 nan 8.210 nan 0.000 0.448 168 H N 4.965 124.088 119.070 0.089 0.000 2.597 168 H HA 0.183 4.739 4.556 0.001 0.000 0.303 168 H C -0.388 174.936 175.328 -0.008 0.000 1.057 168 H CA -0.610 55.451 56.048 0.022 0.000 1.261 168 H CB 1.326 31.060 29.762 -0.046 0.000 1.397 168 H HN 0.458 nan 8.280 nan 0.000 0.461 169 N N 3.928 122.664 118.700 0.061 0.000 2.405 169 N HA 0.011 4.751 4.740 0.001 0.000 0.260 169 N C 0.558 175.976 175.510 -0.154 0.000 1.152 169 N CA -0.058 52.939 53.050 -0.088 0.000 0.948 169 N CB 0.612 39.095 38.487 -0.008 0.000 1.111 169 N HN 0.612 nan 8.380 nan 0.000 0.485 170 M N 1.046 120.497 119.600 -0.248 0.000 2.428 170 M HA 0.053 4.534 4.480 0.001 0.000 0.239 170 M C 0.146 176.325 176.300 -0.201 0.000 1.121 170 M CA 0.023 55.170 55.300 -0.255 0.000 1.019 170 M CB -0.045 32.323 32.600 -0.386 0.000 1.485 170 M HN 0.277 nan 8.290 nan 0.000 0.484 171 T N 2.501 116.929 114.554 -0.210 0.000 2.905 171 T HA 0.005 4.355 4.350 0.001 0.000 0.299 171 T C 0.522 175.180 174.700 -0.070 0.000 1.024 171 T CA 0.439 62.457 62.100 -0.136 0.000 1.151 171 T CB -0.232 68.548 68.868 -0.146 0.000 0.987 171 T HN 0.557 nan 8.240 nan 0.000 0.535 172 N N -0.557 118.126 118.700 -0.028 0.000 2.714 172 N HA -0.183 4.557 4.740 0.001 0.000 0.250 172 N C 0.112 175.638 175.510 0.025 0.000 1.117 172 N CA 0.188 53.242 53.050 0.005 0.000 0.719 172 N CB -1.081 37.405 38.487 -0.002 0.000 1.081 172 N HN 0.906 nan 8.380 nan 0.000 0.557 173 A N 0.493 123.330 122.820 0.028 0.000 2.483 173 A HA 0.436 4.757 4.320 0.001 0.000 0.238 173 A C 1.109 178.813 177.584 0.199 0.000 1.070 173 A CA 0.863 52.947 52.037 0.079 0.000 0.770 173 A CB 0.294 19.287 19.000 -0.013 0.000 1.008 173 A HN 0.386 nan 8.150 nan 0.000 0.497 174 T N -1.258 113.427 114.554 0.219 0.000 2.870 174 T HA 0.422 4.772 4.350 0.001 0.000 0.277 174 T C 0.362 175.249 174.700 0.312 0.000 1.000 174 T CA -0.091 62.139 62.100 0.216 0.000 0.982 174 T CB 0.734 69.675 68.868 0.122 0.000 1.249 174 T HN 0.422 nan 8.240 nan 0.000 0.589 175 D N 0.416 120.897 120.400 0.135 0.000 2.221 175 D HA -0.002 4.639 4.640 0.001 0.000 0.204 175 D C 1.981 178.361 176.300 0.132 0.000 0.982 175 D CA 1.517 55.536 54.000 0.033 0.000 0.857 175 D CB -0.514 40.266 40.800 -0.034 0.000 0.934 175 D HN 0.716 nan 8.370 nan 0.000 0.475 176 A N -0.095 122.819 122.820 0.157 0.000 2.178 176 A HA 0.093 4.413 4.320 0.001 0.000 0.211 176 A C 1.159 178.855 177.584 0.186 0.000 1.157 176 A CA -0.049 52.071 52.037 0.138 0.000 0.780 176 A CB 0.114 19.168 19.000 0.089 0.000 0.828 176 A HN 0.028 nan 8.150 nan 0.000 0.476 177 S N 2.053 117.914 115.700 0.269 0.000 2.525 177 S HA 0.194 4.665 4.470 0.001 0.000 0.285 177 S C -1.354 173.344 174.600 0.163 0.000 1.283 177 S CA -0.542 57.761 58.200 0.172 0.000 1.072 177 S CB 0.734 63.971 63.200 0.062 0.000 0.867 177 S HN 0.411 nan 8.310 nan 0.000 0.492 178 P HA -0.025 nan 4.420 nan 0.000 0.230 178 P C 1.465 178.731 177.300 -0.057 0.000 1.158 178 P CA 0.639 63.791 63.100 0.085 0.000 0.769 178 P CB -0.111 31.669 31.700 0.134 0.000 0.807 179 G N -0.314 108.392 108.800 -0.157 0.000 2.450 179 G HA2 -0.228 3.732 3.960 0.001 0.000 0.220 179 G HA3 -0.228 3.732 3.960 0.001 0.000 0.220 179 G C 1.285 175.999 174.900 -0.309 0.000 1.130 179 G CA 0.296 45.151 45.100 -0.408 0.000 0.760 179 G HN 0.256 nan 8.290 nan 0.000 0.557 180 W N 0.501 121.767 121.300 -0.057 0.000 2.350 180 W HA -0.073 4.587 4.660 0.001 0.000 0.289 180 W C 2.384 178.877 176.519 -0.043 0.000 1.215 180 W CA 0.778 58.100 57.345 -0.039 0.000 1.236 180 W CB -0.225 29.224 29.460 -0.019 0.000 1.130 180 W HN 0.228 nan 8.180 nan 0.000 0.541 181 N N 0.743 119.526 118.700 0.138 0.000 2.520 181 N HA -0.112 4.628 4.740 0.001 0.000 0.185 181 N C 1.276 176.801 175.510 0.025 0.000 1.068 181 N CA 0.570 53.664 53.050 0.074 0.000 0.911 181 N CB -0.155 38.354 38.487 0.037 0.000 0.961 181 N HN 0.239 nan 8.380 nan 0.000 0.446 182 L N 0.636 121.837 121.223 -0.037 0.000 2.592 182 L HA 0.235 4.576 4.340 0.001 0.000 0.227 182 L C -0.093 176.789 176.870 0.019 0.000 1.127 182 L CA 0.085 54.891 54.840 -0.057 0.000 0.884 182 L CB 0.236 42.187 42.059 -0.180 0.000 1.065 182 L HN 0.087 nan 8.230 nan 0.000 0.457 183 L N -0.266 121.003 121.223 0.076 0.000 2.341 183 L HA 0.355 4.696 4.340 0.001 0.000 0.278 183 L C -0.418 176.549 176.870 0.162 0.000 1.005 183 L CA -1.043 53.866 54.840 0.115 0.000 0.818 183 L CB 1.279 43.415 42.059 0.128 0.000 1.259 183 L HN -0.031 nan 8.230 nan 0.000 0.418 184 Y N -0.428 119.928 120.300 0.094 0.000 2.374 184 Y HA 0.492 5.043 4.550 0.001 0.000 0.322 184 Y C -0.313 175.646 175.900 0.099 0.000 1.275 184 Y CA -1.045 57.107 58.100 0.086 0.000 1.307 184 Y CB 0.693 39.199 38.460 0.077 0.000 1.282 184 Y HN 0.425 nan 8.280 nan 0.000 0.509 185 D N 1.573 122.081 120.400 0.180 0.000 2.329 185 D HA 0.124 4.764 4.640 0.001 0.000 0.232 185 D C 0.177 176.569 176.300 0.153 0.000 1.088 185 D CA -0.185 53.854 54.000 0.065 0.000 0.835 185 D CB 1.179 42.020 40.800 0.069 0.000 1.078 185 D HN 0.865 nan 8.370 nan 0.000 0.495 186 E N 2.172 122.398 120.200 0.043 0.000 2.333 186 E HA -0.156 4.194 4.350 0.001 0.000 0.198 186 E C 1.290 177.962 176.600 0.120 0.000 1.007 186 E CA 0.679 57.169 56.400 0.151 0.000 0.845 186 E CB 0.367 30.120 29.700 0.089 0.000 0.766 186 E HN 0.388 nan 8.360 nan 0.000 0.507 187 R N 0.217 120.758 120.500 0.069 0.000 2.276 187 R HA 0.027 4.368 4.340 0.001 0.000 0.203 187 R C 0.504 176.838 176.300 0.056 0.000 1.017 187 R CA 0.476 56.604 56.100 0.046 0.000 1.010 187 R CB 0.215 30.523 30.300 0.015 0.000 0.900 187 R HN -0.101 nan 8.270 nan 0.000 0.469 188 T N 1.930 116.534 114.554 0.084 0.000 2.739 188 T HA 0.143 4.494 4.350 0.001 0.000 0.298 188 T C 0.175 174.921 174.700 0.078 0.000 0.929 188 T CA -0.084 62.062 62.100 0.076 0.000 1.014 188 T CB 0.937 69.861 68.868 0.092 0.000 0.914 188 T HN 0.256 nan 8.240 nan 0.000 0.509 189 T N 0.658 115.241 114.554 0.048 0.000 2.907 189 T HA 0.591 4.942 4.350 0.001 0.000 0.290 189 T C -0.023 174.686 174.700 0.015 0.000 1.066 189 T CA -1.361 60.760 62.100 0.034 0.000 1.012 189 T CB 0.977 69.862 68.868 0.027 0.000 1.184 189 T HN 0.456 nan 8.240 nan 0.000 0.522 190 N N 0.517 119.219 118.700 0.004 0.000 2.399 190 N HA 0.224 4.964 4.740 0.001 0.000 0.250 190 N C 0.987 176.493 175.510 -0.007 0.000 1.272 190 N CA -0.898 52.150 53.050 -0.003 0.000 0.928 190 N CB 0.254 38.737 38.487 -0.008 0.000 1.158 190 N HN 0.506 nan 8.380 nan 0.000 0.463 191 L N -0.626 120.593 121.223 -0.006 0.000 2.012 191 L HA -0.052 4.288 4.340 0.001 0.000 0.210 191 L C 0.727 177.588 176.870 -0.015 0.000 1.073 191 L CA 1.695 56.530 54.840 -0.008 0.000 0.748 191 L CB -0.706 41.350 42.059 -0.006 0.000 0.891 191 L HN 0.954 nan 8.230 nan 0.000 0.431 192 T N -2.621 111.923 114.554 -0.017 0.000 2.918 192 T HA 0.425 4.776 4.350 0.001 0.000 0.286 192 T C -0.381 174.300 174.700 -0.032 0.000 1.026 192 T CA -0.914 61.172 62.100 -0.023 0.000 1.031 192 T CB 1.276 70.134 68.868 -0.016 0.000 1.046 192 T HN 0.054 nan 8.240 nan 0.000 0.479 193 L N 2.883 124.077 121.223 -0.048 0.000 2.513 193 L HA 0.217 4.557 4.340 0.001 0.000 0.272 193 L C 0.575 177.415 176.870 -0.050 0.000 1.187 193 L CA 0.362 55.164 54.840 -0.064 0.000 0.895 193 L CB -0.301 41.699 42.059 -0.098 0.000 1.147 193 L HN 0.739 nan 8.230 nan 0.000 0.483 194 D N 3.370 123.743 120.400 -0.046 0.000 2.472 194 D HA -0.105 4.535 4.640 0.001 0.000 0.237 194 D C 0.905 177.181 176.300 -0.041 0.000 1.141 194 D CA 0.323 54.301 54.000 -0.037 0.000 0.875 194 D CB 0.903 41.682 40.800 -0.035 0.000 1.192 194 D HN 0.755 nan 8.370 nan 0.000 0.450 195 E N 0.913 121.095 120.200 -0.030 0.000 2.130 195 E HA -0.231 4.119 4.350 0.001 0.000 0.196 195 E C 1.563 178.143 176.600 -0.033 0.000 0.998 195 E CA 1.705 58.089 56.400 -0.026 0.000 0.806 195 E CB 0.168 29.859 29.700 -0.015 0.000 0.738 195 E HN 0.613 nan 8.360 nan 0.000 0.459 196 T N -1.335 113.197 114.554 -0.036 0.000 3.007 196 T HA -0.055 4.295 4.350 0.001 0.000 0.270 196 T C 1.279 175.947 174.700 -0.054 0.000 1.107 196 T CA 0.749 62.824 62.100 -0.042 0.000 1.118 196 T CB 0.044 68.887 68.868 -0.043 0.000 0.889 196 T HN 0.066 nan 8.240 nan 0.000 0.506 197 E N 1.131 121.296 120.200 -0.059 0.000 2.472 197 E HA 0.144 4.495 4.350 0.001 0.000 0.196 197 E C 0.658 177.210 176.600 -0.080 0.000 1.033 197 E CA 0.017 56.373 56.400 -0.072 0.000 0.886 197 E CB 0.087 29.734 29.700 -0.090 0.000 0.944 197 E HN 0.570 nan 8.360 nan 0.000 0.492 198 R N 1.475 121.930 120.500 -0.076 0.000 3.710 198 R HA 0.146 4.486 4.340 0.001 0.000 0.201 198 R C 0.150 176.400 176.300 -0.083 0.000 1.641 198 R CA -0.106 55.937 56.100 -0.095 0.000 1.390 198 R CB -0.209 30.045 30.300 -0.077 0.000 1.341 198 R HN -0.090 nan 8.270 nan 0.000 0.728 199 V N -2.524 117.364 119.914 -0.043 0.000 3.102 199 V HA 0.645 4.765 4.120 0.001 0.000 0.312 199 V C -0.212 175.899 176.094 0.028 0.000 1.135 199 V CA -0.806 61.485 62.300 -0.014 0.000 1.022 199 V CB 2.508 34.337 31.823 0.010 0.000 1.056 199 V HN 0.158 nan 8.190 nan 0.000 0.436 200 T N 3.590 118.085 114.554 -0.099 0.000 2.824 200 T HA 0.613 4.964 4.350 0.001 0.000 0.282 200 T C -0.792 173.742 174.700 -0.277 0.000 0.993 200 T CA -0.209 61.745 62.100 -0.243 0.000 0.967 200 T CB 1.284 69.730 68.868 -0.704 0.000 0.960 200 T HN 0.923 nan 8.240 nan 0.000 0.441 201 L N 5.166 126.168 121.223 -0.369 0.000 2.290 201 L HA 0.510 4.850 4.340 0.001 0.000 0.284 201 L C -0.934 175.707 176.870 -0.382 0.000 1.078 201 L CA -0.301 54.186 54.840 -0.589 0.000 0.815 201 L CB 0.068 41.682 42.059 -0.742 0.000 1.162 201 L HN 0.478 nan 8.230 nan 0.000 0.435 202 I N 6.715 127.069 120.570 -0.361 0.000 2.339 202 I HA 0.446 4.616 4.170 0.001 0.000 0.290 202 I C -0.409 175.611 176.117 -0.162 0.000 0.994 202 I CA -0.465 60.697 61.300 -0.231 0.000 1.191 202 I CB 1.367 39.250 38.000 -0.196 0.000 1.343 202 I HN 0.439 nan 8.210 nan 0.000 0.458 203 V N 6.475 126.321 119.914 -0.114 0.000 2.808 203 V HA 0.559 4.680 4.120 0.001 0.000 0.308 203 V C -0.007 176.035 176.094 -0.087 0.000 1.099 203 V CA -0.366 61.892 62.300 -0.069 0.000 0.920 203 V CB 2.519 34.308 31.823 -0.056 0.000 1.014 203 V HN 0.924 nan 8.190 nan 0.000 0.425 204 T N 5.322 119.838 114.554 -0.063 0.000 2.910 204 T HA 0.649 5.000 4.350 0.001 0.000 0.293 204 T C -0.301 174.359 174.700 -0.067 0.000 1.015 204 T CA -0.468 61.600 62.100 -0.054 0.000 1.094 204 T CB 0.837 69.693 68.868 -0.020 0.000 0.968 204 T HN 0.602 nan 8.240 nan 0.000 0.521 205 L N 2.191 123.365 121.223 -0.081 0.000 2.334 205 L HA 0.746 5.086 4.340 0.001 0.000 0.275 205 L C 0.952 177.809 176.870 -0.021 0.000 1.036 205 L CA -0.956 53.810 54.840 -0.124 0.000 0.807 205 L CB 1.551 43.470 42.059 -0.234 0.000 1.231 205 L HN 0.987 nan 8.230 nan 0.000 0.438 206 G N -1.419 107.385 108.800 0.007 0.000 3.108 206 G HA2 0.204 4.165 3.960 0.001 0.000 0.268 206 G HA3 0.204 4.165 3.960 0.001 0.000 0.268 206 G C 0.348 175.298 174.900 0.083 0.000 1.361 206 G CA -0.273 44.865 45.100 0.063 0.000 1.047 206 G HN 0.706 nan 8.290 nan 0.000 0.540 207 H N -0.198 118.895 119.070 0.037 0.000 2.253 207 H HA -0.171 4.386 4.556 0.001 0.000 0.296 207 H C 2.851 178.218 175.328 0.065 0.000 1.067 207 H CA 2.282 58.355 56.048 0.043 0.000 1.245 207 H CB -0.320 29.458 29.762 0.027 0.000 1.364 207 H HN 0.459 nan 8.280 nan 0.000 0.494 208 A N 1.234 124.102 122.820 0.080 0.000 1.969 208 A HA -0.296 4.025 4.320 0.001 0.000 0.223 208 A C 2.093 179.775 177.584 0.164 0.000 1.218 208 A CA 2.485 54.564 52.037 0.071 0.000 0.667 208 A CB -0.706 18.334 19.000 0.067 0.000 0.826 208 A HN 0.623 nan 8.150 nan 0.000 0.472 209 D N -1.530 118.985 120.400 0.192 0.000 2.178 209 D HA -0.075 4.566 4.640 0.001 0.000 0.202 209 D C 1.991 178.433 176.300 0.237 0.000 0.974 209 D CA 2.057 56.225 54.000 0.280 0.000 0.841 209 D CB -0.281 40.550 40.800 0.052 0.000 0.953 209 D HN 0.723 nan 8.370 nan 0.000 0.478 210 T N -3.003 111.590 114.554 0.066 0.000 2.975 210 T HA 0.446 4.797 4.350 0.001 0.000 0.261 210 T C 1.926 176.595 174.700 -0.051 0.000 0.984 210 T CA 0.431 62.564 62.100 0.055 0.000 0.911 210 T CB 0.421 69.318 68.868 0.048 0.000 1.127 210 T HN 0.006 nan 8.240 nan 0.000 0.514 211 A N 2.859 125.552 122.820 -0.212 0.000 1.903 211 A HA -0.138 4.182 4.320 0.001 0.000 0.219 211 A C 2.455 179.974 177.584 -0.108 0.000 1.191 211 A CA 1.636 53.517 52.037 -0.260 0.000 0.638 211 A CB -0.635 18.076 19.000 -0.482 0.000 0.823 211 A HN 0.535 nan 8.150 nan 0.000 0.451 212 R N -0.960 119.471 120.500 -0.115 0.000 2.276 212 R HA 0.226 4.566 4.340 0.001 0.000 0.203 212 R C 1.733 177.930 176.300 -0.173 0.000 1.017 212 R CA 0.749 56.752 56.100 -0.161 0.000 1.010 212 R CB -0.227 29.943 30.300 -0.216 0.000 0.900 212 R HN 0.587 nan 8.270 nan 0.000 0.469 213 I N 0.357 120.880 120.570 -0.078 0.000 2.333 213 I HA -0.192 3.978 4.170 0.001 0.000 0.246 213 I C 2.130 178.261 176.117 0.023 0.000 1.106 213 I CA 0.934 62.215 61.300 -0.031 0.000 1.411 213 I CB -0.060 37.963 38.000 0.038 0.000 1.082 213 I HN 0.101 nan 8.210 nan 0.000 0.420 214 Q N 1.070 120.889 119.800 0.031 0.000 2.230 214 Q HA 0.110 4.450 4.340 0.001 0.000 0.202 214 Q C 1.032 177.081 176.000 0.080 0.000 0.963 214 Q CA 0.466 56.302 55.803 0.055 0.000 0.866 214 Q CB -0.355 28.413 28.738 0.050 0.000 0.931 214 Q HN 0.437 nan 8.270 nan 0.000 0.452 215 A N 1.283 124.158 122.820 0.090 0.000 2.565 215 A HA 0.302 4.623 4.320 0.001 0.000 0.237 215 A C 0.209 177.926 177.584 0.222 0.000 1.053 215 A CA 0.481 52.608 52.037 0.151 0.000 0.755 215 A CB 0.009 19.109 19.000 0.167 0.000 0.980 215 A HN 0.286 nan 8.150 nan 0.000 0.506 216 A N 4.462 127.358 122.820 0.126 0.000 2.498 216 A HA 0.503 4.824 4.320 0.001 0.000 0.239 216 A C -2.192 175.349 177.584 -0.071 0.000 1.068 216 A CA -1.070 50.992 52.037 0.042 0.000 0.766 216 A CB -0.592 18.409 19.000 0.001 0.000 1.003 216 A HN 0.655 nan 8.150 nan 0.000 0.497 217 P HA 0.178 nan 4.420 nan 0.000 0.261 217 P C 1.038 177.855 177.300 -0.806 0.000 1.183 217 P CA 2.028 64.758 63.100 -0.617 0.000 0.761 217 P CB 0.435 31.956 31.700 -0.299 0.000 0.785 218 G N 1.809 109.630 108.800 -1.633 0.000 2.184 218 G HA2 -0.239 3.721 3.960 0.001 0.000 0.264 218 G HA3 -0.239 3.721 3.960 0.001 0.000 0.264 218 G C 0.377 175.101 174.900 -0.293 0.000 0.975 218 G CA 0.438 45.076 45.100 -0.770 0.000 0.642 218 G HN 0.762 nan 8.290 nan 0.000 0.536 219 T N -1.926 112.528 114.554 -0.167 0.000 2.849 219 T HA 0.545 4.896 4.350 0.001 0.000 0.284 219 T C 1.801 176.597 174.700 0.161 0.000 1.004 219 T CA 0.837 62.961 62.100 0.040 0.000 1.021 219 T CB 1.297 70.197 68.868 0.053 0.000 1.013 219 T HN 0.741 nan 8.240 nan 0.000 0.527 220 T N -0.855 113.754 114.554 0.092 0.000 2.904 220 T HA 0.025 4.375 4.350 0.001 0.000 0.267 220 T C 2.296 177.044 174.700 0.080 0.000 1.059 220 T CA 0.608 62.756 62.100 0.080 0.000 1.137 220 T CB -0.803 68.092 68.868 0.044 0.000 0.879 220 T HN 0.816 nan 8.240 nan 0.000 0.467 221 A N 1.511 124.383 122.820 0.086 0.000 2.186 221 A HA 0.244 4.564 4.320 0.001 0.000 0.219 221 A C 2.389 180.003 177.584 0.050 0.000 1.159 221 A CA 1.290 53.369 52.037 0.070 0.000 0.680 221 A CB -1.144 17.903 19.000 0.079 0.000 0.787 221 A HN 0.620 nan 8.150 nan 0.000 0.467 222 G N -1.664 107.199 108.800 0.104 0.000 3.088 222 G HA2 0.264 4.225 3.960 0.001 0.000 0.217 222 G HA3 0.264 4.225 3.960 0.001 0.000 0.217 222 G C 0.621 175.384 174.900 -0.228 0.000 1.159 222 G CA -0.211 44.816 45.100 -0.122 0.000 0.760 222 G HN 0.570 nan 8.290 nan 0.000 0.550 223 Q N -0.379 119.391 119.800 -0.051 0.000 2.306 223 Q HA 0.521 4.861 4.340 0.001 0.000 0.241 223 Q C 0.605 176.556 176.000 -0.081 0.000 0.948 223 Q CA 0.637 56.408 55.803 -0.053 0.000 0.886 223 Q CB 1.486 30.231 28.738 0.011 0.000 1.227 223 Q HN 0.382 nan 8.270 nan 0.000 0.457 224 G N 0.206 108.950 108.800 -0.094 0.000 2.498 224 G HA2 -0.186 3.774 3.960 0.001 0.000 0.651 224 G HA3 -0.186 3.774 3.960 0.001 0.000 0.651 224 G C -0.587 174.210 174.900 -0.172 0.000 1.284 224 G CA -0.602 44.440 45.100 -0.097 0.000 0.950 224 G HN 0.725 nan 8.290 nan 0.000 0.511 225 T N -2.011 112.431 114.554 -0.187 0.000 2.834 225 T HA 0.491 4.842 4.350 0.001 0.000 0.298 225 T C 0.168 174.567 174.700 -0.502 0.000 0.966 225 T CA 0.395 62.249 62.100 -0.410 0.000 1.141 225 T CB 1.716 70.387 68.868 -0.329 0.000 0.905 225 T HN 1.104 nan 8.240 nan 0.000 0.535 226 Q N 2.925 122.338 119.800 -0.645 0.000 2.381 226 Q HA 0.442 4.783 4.340 0.001 0.000 0.263 226 Q C -2.078 173.601 176.000 -0.536 0.000 1.030 226 Q CA -0.647 54.893 55.803 -0.437 0.000 0.772 226 Q CB 0.454 28.998 28.738 -0.323 0.000 1.232 226 Q HN 0.833 nan 8.270 nan 0.000 0.476 227 Y N 2.652 122.906 120.300 -0.076 0.000 2.512 227 Y HA 0.552 5.102 4.550 0.001 0.000 0.348 227 Y C -0.581 175.329 175.900 0.016 0.000 0.990 227 Y CA -1.336 56.619 58.100 -0.242 0.000 1.033 227 Y CB 1.489 39.535 38.460 -0.690 0.000 1.259 227 Y HN 0.402 nan 8.280 nan 0.000 0.461 228 F N 1.334 121.269 119.950 -0.024 0.000 2.424 228 F HA 0.192 4.719 4.527 0.001 0.000 0.356 228 F C -0.622 175.100 175.800 -0.130 0.000 1.110 228 F CA -1.673 56.337 58.000 0.016 0.000 1.161 228 F CB 0.215 39.247 39.000 0.053 0.000 1.115 228 F HN 0.441 nan 8.300 nan 0.000 0.507 229 W N 5.444 126.875 121.300 0.218 0.000 2.335 229 W HA 0.486 5.146 4.660 0.001 0.000 0.306 229 W C -0.688 175.862 176.519 0.051 0.000 1.216 229 W CA -0.423 56.982 57.345 0.101 0.000 1.237 229 W CB 0.402 29.901 29.460 0.065 0.000 1.243 229 W HN 0.096 nan 8.180 nan 0.000 0.493 230 L N 2.243 123.580 121.223 0.190 0.000 2.304 230 L HA 0.447 4.787 4.340 0.001 0.000 0.268 230 L C 0.768 177.605 176.870 -0.055 0.000 1.010 230 L CA -1.258 53.600 54.840 0.030 0.000 0.813 230 L CB 1.100 43.193 42.059 0.056 0.000 1.315 230 L HN 0.362 nan 8.230 nan 0.000 0.445 231 S N 0.063 115.494 115.700 -0.447 0.000 2.553 231 S HA -0.063 4.407 4.470 0.001 0.000 0.293 231 S C 1.063 175.569 174.600 -0.156 0.000 1.296 231 S CA 0.191 58.043 58.200 -0.581 0.000 1.046 231 S CB 0.216 62.463 63.200 -1.588 0.000 0.810 231 S HN 0.564 nan 8.310 nan 0.000 0.505 232 K N 1.774 122.169 120.400 -0.009 0.000 2.555 232 K HA 0.043 4.363 4.320 0.001 0.000 0.193 232 K C -0.256 176.410 176.600 0.110 0.000 1.032 232 K CA 0.581 56.996 56.287 0.213 0.000 1.004 232 K CB -0.009 32.616 32.500 0.208 0.000 0.804 232 K HN 0.555 nan 8.250 nan 0.000 0.496 233 D N 0.400 120.676 120.400 -0.206 0.000 2.945 233 D HA 0.072 4.712 4.640 0.001 0.000 0.369 233 D C -0.525 175.393 176.300 -0.638 0.000 1.294 233 D CA 0.006 53.772 54.000 -0.389 0.000 0.778 233 D CB 1.246 42.046 40.800 0.001 0.000 1.188 233 D HN -0.157 nan 8.370 nan 0.000 0.479 234 S N -0.097 114.828 115.700 -1.292 0.000 2.677 234 S HA 0.085 4.555 4.470 0.001 0.000 0.246 234 S C 1.253 175.422 174.600 -0.718 0.000 1.005 234 S CA -0.465 57.120 58.200 -1.024 0.000 1.062 234 S CB -0.291 62.177 63.200 -1.220 0.000 0.778 234 S HN 0.359 nan 8.310 nan 0.000 0.461 235 Y N 2.005 122.154 120.300 -0.252 0.000 2.315 235 Y HA -0.170 4.380 4.550 0.001 0.000 0.288 235 Y C 2.275 178.189 175.900 0.022 0.000 1.154 235 Y CA 1.048 59.139 58.100 -0.015 0.000 1.229 235 Y CB -0.173 38.227 38.460 -0.099 0.000 0.980 235 Y HN 0.413 nan 8.280 nan 0.000 0.540 236 D N -1.487 118.969 120.400 0.095 0.000 2.350 236 D HA -0.121 4.519 4.640 0.001 0.000 0.213 236 D C 1.347 177.665 176.300 0.030 0.000 1.031 236 D CA 0.173 54.207 54.000 0.056 0.000 0.861 236 D CB -0.688 40.110 40.800 -0.004 0.000 0.926 236 D HN 0.345 nan 8.370 nan 0.000 0.520 237 F N 0.272 120.076 119.950 -0.243 0.000 2.754 237 F HA 0.345 4.873 4.527 0.001 0.000 0.297 237 F C -0.350 175.157 175.800 -0.488 0.000 1.122 237 F CA -0.640 57.102 58.000 -0.429 0.000 1.400 237 F CB 0.194 38.844 39.000 -0.583 0.000 1.117 237 F HN -0.289 nan 8.300 nan 0.000 0.587 238 F N 0.273 120.255 119.950 0.053 0.000 2.593 238 F HA 0.496 5.023 4.527 0.001 0.000 0.320 238 F C -2.002 173.856 175.800 0.095 0.000 1.060 238 F CA -2.640 55.392 58.000 0.053 0.000 0.940 238 F CB 0.660 39.712 39.000 0.086 0.000 1.268 238 F HN -0.320 nan 8.300 nan 0.000 0.475 239 P HA 0.141 nan 4.420 nan 0.000 0.272 239 P C -2.681 174.751 177.300 0.219 0.000 1.254 239 P CA -1.150 62.070 63.100 0.201 0.000 0.795 239 P CB -0.307 31.489 31.700 0.161 0.000 1.022 240 P HA 0.037 nan 4.420 nan 0.000 0.261 240 P C -0.402 176.988 177.300 0.150 0.000 1.183 240 P CA 0.663 63.867 63.100 0.174 0.000 0.761 240 P CB -0.092 31.625 31.700 0.028 0.000 0.785 241 L N 3.408 124.815 121.223 0.308 0.000 2.480 241 L HA 0.113 4.453 4.340 0.001 0.000 0.243 241 L C 1.484 178.568 176.870 0.357 0.000 1.315 241 L CA 0.122 55.150 54.840 0.313 0.000 1.231 241 L CB -0.862 41.420 42.059 0.373 0.000 1.444 241 L HN 0.429 nan 8.230 nan 0.000 0.409 242 T N -3.521 111.075 114.554 0.070 0.000 3.065 242 T HA 0.234 4.585 4.350 0.001 0.000 0.252 242 T C 0.794 175.508 174.700 0.022 0.000 1.099 242 T CA -0.083 61.979 62.100 -0.064 0.000 1.063 242 T CB 0.006 68.699 68.868 -0.292 0.000 0.948 242 T HN 0.178 nan 8.240 nan 0.000 0.506 243 I N 2.955 123.541 120.570 0.026 0.000 2.533 243 I HA 0.277 4.447 4.170 0.001 0.000 0.284 243 I C 0.357 176.448 176.117 -0.045 0.000 1.109 243 I CA -0.516 60.776 61.300 -0.014 0.000 1.412 243 I CB 0.436 38.424 38.000 -0.021 0.000 1.396 243 I HN -0.033 nan 8.210 nan 0.000 0.543 244 R N 5.512 125.960 120.500 -0.086 0.000 2.668 244 R HA 0.333 4.673 4.340 0.001 0.000 0.279 244 R C -0.324 175.894 176.300 -0.136 0.000 0.976 244 R CA -0.983 55.015 56.100 -0.170 0.000 0.978 244 R CB 0.941 31.141 30.300 -0.167 0.000 1.133 244 R HN 0.656 nan 8.270 nan 0.000 0.484 245 N N 2.167 120.767 118.700 -0.167 0.000 2.344 245 N HA -0.070 4.671 4.740 0.001 0.000 0.236 245 N C -0.169 175.290 175.510 -0.086 0.000 1.279 245 N CA -0.103 52.878 53.050 -0.115 0.000 0.882 245 N CB 0.733 39.148 38.487 -0.121 0.000 1.110 245 N HN 0.410 nan 8.380 nan 0.000 0.436 246 R N 0.302 120.766 120.500 -0.061 0.000 2.679 246 R HA 0.035 4.375 4.340 0.001 0.000 0.268 246 R C 0.300 176.575 176.300 -0.042 0.000 1.044 246 R CA -0.642 55.431 56.100 -0.045 0.000 1.105 246 R CB 0.445 30.724 30.300 -0.034 0.000 0.989 246 R HN 0.764 nan 8.270 nan 0.000 0.447 247 R N 1.029 121.509 120.500 -0.033 0.000 2.566 247 R HA 0.032 4.373 4.340 0.001 0.000 0.273 247 R C 0.612 176.899 176.300 -0.022 0.000 0.981 247 R CA 0.992 57.077 56.100 -0.025 0.000 1.091 247 R CB -0.087 30.203 30.300 -0.018 0.000 0.924 247 R HN 0.978 nan 8.270 nan 0.000 0.411 248 G N 1.800 110.589 108.800 -0.018 0.000 2.176 248 G HA2 -0.322 3.639 3.960 0.001 0.000 0.253 248 G HA3 -0.322 3.639 3.960 0.001 0.000 0.253 248 G C 0.136 175.024 174.900 -0.020 0.000 0.979 248 G CA 0.504 45.595 45.100 -0.015 0.000 0.641 248 G HN 1.105 nan 8.290 nan 0.000 0.530 249 T N -2.096 112.441 114.554 -0.028 0.000 2.949 249 T HA 0.732 5.082 4.350 0.001 0.000 0.287 249 T C 0.073 174.748 174.700 -0.041 0.000 1.034 249 T CA -0.617 61.463 62.100 -0.034 0.000 1.018 249 T CB 2.081 70.926 68.868 -0.039 0.000 1.135 249 T HN 0.196 nan 8.240 nan 0.000 0.532 250 K N 0.965 121.336 120.400 -0.048 0.000 2.436 250 K HA 0.538 4.859 4.320 0.001 0.000 0.275 250 K C 0.283 176.838 176.600 -0.075 0.000 0.999 250 K CA 0.084 56.336 56.287 -0.058 0.000 0.980 250 K CB 0.114 32.571 32.500 -0.072 0.000 0.919 250 K HN 0.857 nan 8.250 nan 0.000 0.484 251 A N 2.490 125.273 122.820 -0.062 0.000 2.450 251 A HA 0.373 4.693 4.320 0.001 0.000 0.255 251 A C 0.048 177.569 177.584 -0.105 0.000 1.096 251 A CA 0.122 52.112 52.037 -0.078 0.000 0.778 251 A CB -0.318 18.700 19.000 0.029 0.000 1.031 251 A HN 0.745 nan 8.150 nan 0.000 0.494 252 T N -0.435 113.996 114.554 -0.205 0.000 2.883 252 T HA 0.679 5.029 4.350 0.001 0.000 0.301 252 T C -1.150 173.371 174.700 -0.299 0.000 1.158 252 T CA -0.552 61.460 62.100 -0.147 0.000 1.007 252 T CB 1.076 69.856 68.868 -0.146 0.000 1.186 252 T HN 0.423 nan 8.240 nan 0.000 0.499 253 Y N 0.252 120.586 120.300 0.057 0.000 2.346 253 Y HA 0.675 5.225 4.550 0.001 0.000 0.332 253 Y C 0.141 176.077 175.900 0.060 0.000 0.985 253 Y CA -0.586 57.596 58.100 0.138 0.000 1.112 253 Y CB 2.616 41.252 38.460 0.293 0.000 1.170 253 Y HN 0.913 nan 8.280 nan 0.000 0.447 254 S N 1.099 116.881 115.700 0.137 0.000 2.627 254 S HA 0.734 5.204 4.470 0.001 0.000 0.283 254 S C -1.121 173.499 174.600 0.033 0.000 1.127 254 S CA -0.997 57.219 58.200 0.025 0.000 0.863 254 S CB 2.219 65.392 63.200 -0.045 0.000 1.121 254 S HN 0.446 nan 8.310 nan 0.000 0.479 255 S N 0.719 116.406 115.700 -0.021 0.000 2.548 255 S HA 0.685 5.155 4.470 0.001 0.000 0.286 255 S C -1.458 173.117 174.600 -0.043 0.000 1.098 255 S CA -0.699 57.496 58.200 -0.009 0.000 0.930 255 S CB 0.508 63.729 63.200 0.036 0.000 1.070 255 S HN 0.572 nan 8.310 nan 0.000 0.480 256 L N 5.298 126.510 121.223 -0.018 0.000 2.276 256 L HA 0.616 4.956 4.340 0.001 0.000 0.286 256 L C -0.086 176.789 176.870 0.009 0.000 1.061 256 L CA -0.514 54.316 54.840 -0.017 0.000 0.807 256 L CB 0.853 42.907 42.059 -0.008 0.000 1.177 256 L HN 0.626 nan 8.230 nan 0.000 0.429 257 I N -0.328 120.245 120.570 0.004 0.000 2.934 257 I HA 0.511 4.681 4.170 0.001 0.000 0.306 257 I C -0.775 175.370 176.117 0.046 0.000 1.110 257 I CA -1.055 60.285 61.300 0.066 0.000 1.019 257 I CB 2.174 40.225 38.000 0.085 0.000 1.227 257 I HN 0.384 nan 8.210 nan 0.000 0.434 258 N N 4.015 122.764 118.700 0.080 0.000 2.430 258 N HA 0.324 5.064 4.740 0.001 0.000 0.265 258 N C -0.955 174.576 175.510 0.034 0.000 1.100 258 N CA -0.162 52.905 53.050 0.028 0.000 0.961 258 N CB 1.457 39.950 38.487 0.011 0.000 1.075 258 N HN 0.573 nan 8.380 nan 0.000 0.478 259 M N 2.885 122.437 119.600 -0.079 0.000 2.043 259 M HA 0.201 4.681 4.480 0.001 0.000 0.322 259 M C -0.771 175.350 176.300 -0.298 0.000 0.962 259 M CA -0.806 54.359 55.300 -0.225 0.000 0.927 259 M CB 0.237 32.578 32.600 -0.431 0.000 1.466 259 M HN 0.213 nan 8.290 nan 0.000 0.412 260 N N 4.271 122.870 118.700 -0.169 0.000 2.415 260 N HA 0.079 4.820 4.740 0.001 0.000 0.250 260 N C -1.696 173.778 175.510 -0.060 0.000 1.127 260 N CA 0.083 53.086 53.050 -0.079 0.000 0.945 260 N CB -0.032 38.457 38.487 0.003 0.000 1.196 260 N HN 0.550 nan 8.380 nan 0.000 0.499 261 Y N 4.850 125.207 120.300 0.095 0.000 2.640 261 Y HA 0.103 4.653 4.550 0.001 0.000 0.355 261 Y C 1.695 177.673 175.900 0.131 0.000 1.088 261 Y CA -0.650 57.528 58.100 0.129 0.000 1.443 261 Y CB 0.333 38.884 38.460 0.152 0.000 1.224 261 Y HN 0.426 nan 8.280 nan 0.000 0.516 262 I N 1.483 122.199 120.570 0.242 0.000 2.286 262 I HA -0.261 3.909 4.170 0.001 0.000 0.248 262 I C 1.549 177.773 176.117 0.178 0.000 1.115 262 I CA 1.256 62.667 61.300 0.187 0.000 1.392 262 I CB -0.466 37.638 38.000 0.172 0.000 1.065 262 I HN 0.628 nan 8.210 nan 0.000 0.418 263 D N 0.758 121.278 120.400 0.200 0.000 2.348 263 D HA -0.024 4.617 4.640 0.001 0.000 0.216 263 D C 1.768 178.146 176.300 0.130 0.000 0.970 263 D CA 0.864 54.956 54.000 0.154 0.000 0.889 263 D CB 0.388 41.283 40.800 0.158 0.000 0.912 263 D HN 0.534 nan 8.370 nan 0.000 0.524 264 I N -3.090 117.575 120.570 0.157 0.000 4.050 264 I HA 0.240 4.411 4.170 0.001 0.000 0.327 264 I C -0.111 176.105 176.117 0.164 0.000 1.473 264 I CA -0.466 60.908 61.300 0.122 0.000 1.124 264 I CB 0.107 38.148 38.000 0.067 0.000 1.129 264 I HN -0.325 nan 8.210 nan 0.000 0.428 265 N N 2.671 121.478 118.700 0.178 0.000 2.688 265 N HA -0.312 4.428 4.740 0.001 0.000 0.258 265 N C -1.189 174.461 175.510 0.234 0.000 1.016 265 N CA 0.987 54.138 53.050 0.167 0.000 0.747 265 N CB -1.236 37.321 38.487 0.116 0.000 0.895 265 N HN 0.808 nan 8.380 nan 0.000 0.543 266 Y N -0.485 119.891 120.300 0.127 0.000 2.401 266 Y HA 0.407 4.958 4.550 0.001 0.000 0.330 266 Y C -0.773 175.238 175.900 0.186 0.000 1.071 266 Y CA -0.697 57.482 58.100 0.131 0.000 1.049 266 Y CB 1.223 39.751 38.460 0.114 0.000 1.239 266 Y HN 0.083 nan 8.280 nan 0.000 0.437 267 T N 5.635 119.878 114.554 -0.518 0.000 2.733 267 T HA 0.128 4.478 4.350 0.001 0.000 0.294 267 T C -0.985 173.246 174.700 -0.781 0.000 0.956 267 T CA -0.275 61.549 62.100 -0.460 0.000 0.987 267 T CB 0.203 68.921 68.868 -0.249 0.000 0.920 267 T HN 0.527 nan 8.240 nan 0.000 0.470 268 D N 2.742 122.936 120.400 -0.342 0.000 2.339 268 D HA 0.112 4.752 4.640 0.001 0.000 0.241 268 D C 1.412 177.678 176.300 -0.056 0.000 1.183 268 D CA -0.330 53.630 54.000 -0.067 0.000 0.859 268 D CB 1.000 41.982 40.800 0.303 0.000 1.067 268 D HN 0.544 nan 8.370 nan 0.000 0.484 269 T N 0.713 115.234 114.554 -0.055 0.000 3.129 269 T HA -0.003 4.347 4.350 0.001 0.000 0.251 269 T C 0.708 175.409 174.700 0.001 0.000 1.117 269 T CA 0.250 62.333 62.100 -0.029 0.000 1.034 269 T CB 0.126 68.976 68.868 -0.031 0.000 0.968 269 T HN 0.313 nan 8.240 nan 0.000 0.526 270 Q N 0.611 120.424 119.800 0.022 0.000 2.182 270 Q HA 0.285 4.625 4.340 0.001 0.000 0.305 270 Q C -0.337 175.677 176.000 0.022 0.000 0.880 270 Q CA -0.346 55.470 55.803 0.020 0.000 1.131 270 Q CB 0.131 28.885 28.738 0.026 0.000 1.237 270 Q HN 0.539 nan 8.270 nan 0.000 0.447 271 C N 1.710 121.020 119.300 0.017 0.000 2.632 271 C HA 0.354 4.814 4.460 0.001 0.000 0.415 271 C C 0.616 175.578 174.990 -0.045 0.000 1.332 271 C CA -0.118 58.903 59.018 0.004 0.000 1.874 271 C CB -0.065 27.664 27.740 -0.018 0.000 2.596 271 C HN 0.448 nan 8.230 nan 0.000 0.590 272 R N 4.596 125.064 120.500 -0.055 0.000 2.294 272 R HA 0.618 4.959 4.340 0.001 0.000 0.319 272 R C -1.022 175.177 176.300 -0.169 0.000 0.984 272 R CA -0.385 55.660 56.100 -0.092 0.000 0.861 272 R CB 1.435 31.700 30.300 -0.059 0.000 1.104 272 R HN 0.707 nan 8.270 nan 0.000 0.451 273 V N 4.285 124.045 119.914 -0.256 0.000 2.483 273 V HA 0.525 4.646 4.120 0.001 0.000 0.295 273 V C -0.953 174.957 176.094 -0.306 0.000 1.035 273 V CA 0.019 62.077 62.300 -0.403 0.000 0.896 273 V CB 2.053 33.362 31.823 -0.858 0.000 0.986 273 V HN 0.870 nan 8.190 nan 0.000 0.447 274 T N 7.371 121.736 114.554 -0.316 0.000 2.881 274 T HA 0.441 4.792 4.350 0.001 0.000 0.290 274 T C -1.152 173.341 174.700 -0.345 0.000 1.000 274 T CA -0.122 61.814 62.100 -0.273 0.000 0.978 274 T CB 1.193 69.873 68.868 -0.312 0.000 0.997 274 T HN 0.551 nan 8.240 nan 0.000 0.443 275 F N 2.931 122.592 119.950 -0.481 0.000 2.404 275 F HA 0.409 4.937 4.527 0.001 0.000 0.354 275 F C 0.328 175.970 175.800 -0.263 0.000 1.122 275 F CA -1.173 56.435 58.000 -0.654 0.000 1.080 275 F CB 0.781 39.364 39.000 -0.695 0.000 1.131 275 F HN 0.502 nan 8.300 nan 0.000 0.471 276 E N 5.241 124.964 120.200 -0.795 0.000 1.963 276 E HA 0.307 4.658 4.350 0.001 0.000 0.274 276 E C 0.277 176.382 176.600 -0.825 0.000 1.061 276 E CA -0.220 55.816 56.400 -0.607 0.000 0.847 276 E CB 0.985 30.452 29.700 -0.388 0.000 1.083 276 E HN 0.790 nan 8.360 nan 0.000 0.402 277 A N 3.554 126.046 122.820 -0.547 0.000 2.251 277 A HA -0.002 4.318 4.320 0.001 0.000 0.209 277 A C 1.057 178.575 177.584 -0.110 0.000 1.187 277 A CA 0.369 52.261 52.037 -0.243 0.000 0.823 277 A CB 0.238 19.368 19.000 0.217 0.000 0.846 277 A HN 0.508 nan 8.150 nan 0.000 0.486 278 E N -0.978 119.075 120.200 -0.244 0.000 2.968 278 E HA 0.103 4.454 4.350 0.001 0.000 0.202 278 E C 0.165 176.579 176.600 -0.311 0.000 0.979 278 E CA -0.295 55.980 56.400 -0.208 0.000 1.192 278 E CB 0.253 29.903 29.700 -0.084 0.000 1.059 278 E HN 0.473 nan 8.360 nan 0.000 0.470 279 N N 0.473 118.870 118.700 -0.504 0.000 2.927 279 N HA 0.158 4.898 4.740 0.001 0.000 0.156 279 N C -0.027 175.119 175.510 -0.606 0.000 1.474 279 N CA 0.494 53.291 53.050 -0.422 0.000 1.124 279 N CB 0.266 38.583 38.487 -0.284 0.000 1.132 279 N HN -0.051 nan 8.380 nan 0.000 0.444 280 N N -0.675 117.675 118.700 -0.582 0.000 2.299 280 N HA 0.309 5.050 4.740 0.001 0.000 0.246 280 N C -1.070 174.227 175.510 -0.354 0.000 1.254 280 N CA -0.124 52.628 53.050 -0.497 0.000 0.879 280 N CB 0.920 39.285 38.487 -0.204 0.000 1.214 280 N HN 0.243 nan 8.380 nan 0.000 0.510 281 F N -0.166 119.663 119.950 -0.202 0.000 3.074 281 F HA -0.258 4.269 4.527 0.001 0.000 0.289 281 F C -0.299 175.456 175.800 -0.076 0.000 0.863 281 F CA 0.171 58.009 58.000 -0.271 0.000 1.121 281 F CB -1.638 37.367 39.000 0.007 0.000 1.169 281 F HN 0.188 nan 8.300 nan 0.000 0.570 282 D N 0.411 120.805 120.400 -0.010 0.000 2.304 282 D HA 0.308 4.948 4.640 0.001 0.000 0.247 282 D C 0.104 176.446 176.300 0.069 0.000 1.089 282 D CA 0.035 54.138 54.000 0.172 0.000 0.910 282 D CB 0.735 41.730 40.800 0.325 0.000 1.199 282 D HN -0.093 nan 8.370 nan 0.000 0.426 283 F N 1.247 121.251 119.950 0.090 0.000 2.410 283 F HA 0.315 4.842 4.527 0.001 0.000 0.348 283 F C 0.932 176.631 175.800 -0.168 0.000 1.106 283 F CA -0.280 57.712 58.000 -0.014 0.000 1.163 283 F CB 0.885 39.879 39.000 -0.010 0.000 1.129 283 F HN -0.064 nan 8.300 nan 0.000 0.516 284 R N 3.160 123.495 120.500 -0.275 0.000 2.686 284 R HA 0.659 4.999 4.340 0.001 0.000 0.283 284 R C -1.841 174.207 176.300 -0.420 0.000 0.978 284 R CA -1.195 54.544 56.100 -0.601 0.000 0.897 284 R CB 2.224 31.695 30.300 -1.383 0.000 1.192 284 R HN 0.455 nan 8.270 nan 0.000 0.457 285 L N 1.171 122.238 121.223 -0.260 0.000 2.296 285 L HA 0.528 4.868 4.340 0.001 0.000 0.286 285 L C 0.056 176.893 176.870 -0.056 0.000 1.023 285 L CA 0.052 54.801 54.840 -0.152 0.000 0.812 285 L CB 1.833 43.867 42.059 -0.043 0.000 1.223 285 L HN 0.816 nan 8.230 nan 0.000 0.421 286 G N 2.251 111.043 108.800 -0.014 0.000 2.439 286 G HA2 0.344 4.304 3.960 0.001 0.000 0.298 286 G HA3 0.344 4.304 3.960 0.001 0.000 0.298 286 G C 0.406 175.279 174.900 -0.045 0.000 1.044 286 G CA 0.283 45.419 45.100 0.060 0.000 1.168 286 G HN 0.791 nan 8.290 nan 0.000 0.433 287 T N -0.119 114.337 114.554 -0.162 0.000 3.269 287 T HA 0.268 4.619 4.350 0.001 0.000 0.269 287 T C 1.945 176.469 174.700 -0.294 0.000 0.993 287 T CA 0.265 62.217 62.100 -0.248 0.000 0.909 287 T CB 1.040 69.508 68.868 -0.666 0.000 1.115 287 T HN 0.391 nan 8.240 nan 0.000 0.543 288 G N 2.524 111.186 108.800 -0.230 0.000 2.485 288 G HA2 -0.217 3.743 3.960 0.001 0.000 0.221 288 G HA3 -0.217 3.743 3.960 0.001 0.000 0.221 288 G C 1.659 176.409 174.900 -0.250 0.000 1.115 288 G CA 0.333 45.289 45.100 -0.240 0.000 0.751 288 G HN 0.393 nan 8.290 nan 0.000 0.567 289 K N 0.155 120.395 120.400 -0.267 0.000 2.280 289 K HA 0.063 4.383 4.320 0.001 0.000 0.202 289 K C 2.137 178.481 176.600 -0.426 0.000 1.047 289 K CA 0.452 56.532 56.287 -0.345 0.000 0.942 289 K CB -0.267 32.023 32.500 -0.351 0.000 0.739 289 K HN 0.406 nan 8.250 nan 0.000 0.457 290 L N 0.277 121.228 121.223 -0.453 0.000 2.567 290 L HA 0.105 4.446 4.340 0.001 0.000 0.225 290 L C 1.126 177.868 176.870 -0.213 0.000 1.119 290 L CA -0.259 54.381 54.840 -0.332 0.000 0.871 290 L CB -0.099 41.770 42.059 -0.317 0.000 1.036 290 L HN 0.050 nan 8.230 nan 0.000 0.459 291 R N 0.548 120.892 120.500 -0.259 0.000 2.504 291 R HA -0.141 4.200 4.340 0.001 0.000 0.291 291 R C -0.050 176.128 176.300 -0.202 0.000 0.974 291 R CA 0.733 56.625 56.100 -0.348 0.000 1.077 291 R CB -0.050 29.967 30.300 -0.471 0.000 0.926 291 R HN 0.223 nan 8.270 nan 0.000 0.407 292 Y N -0.608 119.653 120.300 -0.065 0.000 4.936 292 Y HA -0.376 4.174 4.550 0.001 0.000 0.260 292 Y C 1.728 177.601 175.900 -0.045 0.000 0.928 292 Y CA 1.101 59.171 58.100 -0.050 0.000 1.869 292 Y CB -1.692 36.734 38.460 -0.057 0.000 1.344 292 Y HN 0.826 nan 8.280 nan 0.000 0.521 293 T N -3.195 111.398 114.554 0.066 0.000 3.043 293 T HA 0.332 4.682 4.350 0.001 0.000 0.263 293 T C 1.868 176.593 174.700 0.042 0.000 1.094 293 T CA 1.075 63.194 62.100 0.032 0.000 1.127 293 T CB 0.244 69.100 68.868 -0.020 0.000 0.905 293 T HN 1.306 nan 8.240 nan 0.000 0.490 294 G N 1.044 109.875 108.800 0.051 0.000 2.155 294 G HA2 -0.331 3.629 3.960 0.001 0.000 0.257 294 G HA3 -0.331 3.629 3.960 0.001 0.000 0.257 294 G C 0.968 175.905 174.900 0.062 0.000 0.983 294 G CA 0.754 45.888 45.100 0.056 0.000 0.676 294 G HN 1.386 nan 8.290 nan 0.000 0.528 295 V N -3.328 116.627 119.914 0.068 0.000 3.217 295 V HA 0.648 4.768 4.120 0.001 0.000 0.264 295 V C 1.062 177.225 176.094 0.115 0.000 1.135 295 V CA 1.545 63.898 62.300 0.088 0.000 1.142 295 V CB -0.226 31.654 31.823 0.095 0.000 0.754 295 V HN 2.000 nan 8.190 nan 0.000 0.484 296 A N 0.573 123.465 122.820 0.120 0.000 2.549 296 A HA 0.817 5.137 4.320 0.001 0.000 0.297 296 A C -0.603 177.039 177.584 0.096 0.000 1.061 296 A CA -0.670 51.444 52.037 0.129 0.000 0.690 296 A CB 1.784 20.904 19.000 0.200 0.000 1.287 296 A HN 0.615 nan 8.150 nan 0.000 0.402 297 K N 0.164 120.609 120.400 0.076 0.000 2.495 297 K HA 0.732 5.053 4.320 0.001 0.000 0.268 297 K C -0.610 176.022 176.600 0.054 0.000 1.008 297 K CA -0.660 55.665 56.287 0.063 0.000 0.882 297 K CB 1.395 33.932 32.500 0.062 0.000 1.443 297 K HN 0.422 nan 8.250 nan 0.000 0.447 298 S N 1.919 117.656 115.700 0.063 0.000 2.558 298 S HA -0.015 4.455 4.470 0.001 0.000 0.293 298 S C 0.220 174.857 174.600 0.061 0.000 1.292 298 S CA 0.322 58.561 58.200 0.065 0.000 1.063 298 S CB -0.346 62.913 63.200 0.099 0.000 0.831 298 S HN 0.907 nan 8.310 nan 0.000 0.499 299 N N -0.438 118.301 118.700 0.065 0.000 2.980 299 N HA -0.142 4.598 4.740 0.001 0.000 0.219 299 N C -0.730 174.880 175.510 0.167 0.000 0.883 299 N CA 1.110 54.217 53.050 0.096 0.000 1.018 299 N CB -1.240 37.287 38.487 0.066 0.000 1.041 299 N HN 0.576 nan 8.380 nan 0.000 0.592 300 D N 1.160 121.634 120.400 0.123 0.000 2.361 300 D HA 0.321 4.961 4.640 0.001 0.000 0.239 300 D C 0.893 177.260 176.300 0.112 0.000 1.200 300 D CA 0.243 54.344 54.000 0.170 0.000 0.915 300 D CB 0.834 41.698 40.800 0.106 0.000 1.170 300 D HN 0.170 nan 8.370 nan 0.000 0.444 301 I N 0.616 121.240 120.570 0.089 0.000 2.441 301 I HA 0.359 4.529 4.170 0.001 0.000 0.295 301 I C 0.016 176.134 176.117 0.002 0.000 0.994 301 I CA -0.847 60.433 61.300 -0.033 0.000 1.144 301 I CB 1.726 39.635 38.000 -0.152 0.000 1.314 301 I HN 0.264 nan 8.210 nan 0.000 0.445 302 A N 5.237 128.030 122.820 -0.045 0.000 2.289 302 A HA 0.770 5.090 4.320 0.001 0.000 0.298 302 A C -0.176 177.424 177.584 0.027 0.000 1.208 302 A CA -0.405 51.658 52.037 0.045 0.000 0.845 302 A CB 0.603 19.635 19.000 0.052 0.000 1.125 302 A HN 0.767 nan 8.150 nan 0.000 0.517 303 A N 3.436 126.297 122.820 0.069 0.000 2.267 303 A HA 0.645 4.965 4.320 0.001 0.000 0.315 303 A C -0.444 177.129 177.584 -0.019 0.000 1.297 303 A CA -0.343 51.654 52.037 -0.068 0.000 0.865 303 A CB 0.004 18.971 19.000 -0.055 0.000 1.165 303 A HN 0.734 nan 8.150 nan 0.000 0.513 304 I N 3.004 123.551 120.570 -0.038 0.000 2.330 304 I HA 0.219 4.390 4.170 0.001 0.000 0.286 304 I C -0.055 176.151 176.117 0.148 0.000 1.025 304 I CA -0.032 61.337 61.300 0.116 0.000 1.197 304 I CB 1.582 39.721 38.000 0.231 0.000 1.358 304 I HN 0.485 nan 8.210 nan 0.000 0.467 305 T N 6.119 120.718 114.554 0.074 0.000 2.767 305 T HA 0.300 4.651 4.350 0.001 0.000 0.288 305 T C 0.131 174.818 174.700 -0.022 0.000 0.963 305 T CA -0.473 61.594 62.100 -0.054 0.000 1.019 305 T CB 0.924 69.682 68.868 -0.183 0.000 0.923 305 T HN 0.451 nan 8.240 nan 0.000 0.468 306 R N 2.847 123.277 120.500 -0.115 0.000 2.234 306 R HA 0.374 4.715 4.340 0.001 0.000 0.324 306 R C 0.885 176.944 176.300 -0.402 0.000 1.054 306 R CA -0.234 55.564 56.100 -0.503 0.000 0.912 306 R CB 0.314 30.249 30.300 -0.608 0.000 1.030 306 R HN 0.584 nan 8.270 nan 0.000 0.455 307 V N 0.788 120.459 119.914 -0.404 0.000 3.604 307 V HA 0.528 4.649 4.120 0.001 0.000 0.277 307 V C 0.429 176.395 176.094 -0.213 0.000 1.399 307 V CA 0.509 62.673 62.300 -0.227 0.000 1.034 307 V CB 0.711 32.483 31.823 -0.086 0.000 0.824 307 V HN 0.698 nan 8.190 nan 0.000 0.439 308 G N -0.245 108.364 108.800 -0.318 0.000 2.682 308 G HA2 0.391 4.352 3.960 0.001 0.000 0.290 308 G HA3 0.391 4.352 3.960 0.001 0.000 0.290 308 G C -0.418 174.305 174.900 -0.294 0.000 1.425 308 G CA 0.357 45.318 45.100 -0.232 0.000 0.807 308 G HN -0.017 nan 8.290 nan 0.000 0.482 309 D N -0.570 119.729 120.400 -0.169 0.000 2.158 309 D HA -0.081 4.559 4.640 0.001 0.000 0.197 309 D C 1.735 177.982 176.300 -0.088 0.000 0.995 309 D CA 2.133 56.060 54.000 -0.121 0.000 0.846 309 D CB 0.280 41.053 40.800 -0.046 0.000 0.941 309 D HN 0.192 nan 8.370 nan 0.000 0.456 310 S N -0.503 115.161 115.700 -0.060 0.000 2.843 310 S HA 0.201 4.671 4.470 0.001 0.000 0.249 310 S C -1.164 173.475 174.600 0.065 0.000 1.047 310 S CA -0.604 57.646 58.200 0.084 0.000 1.042 310 S CB 0.658 63.907 63.200 0.083 0.000 0.936 310 S HN 0.147 nan 8.310 nan 0.000 0.531 311 D N 1.222 121.508 120.400 -0.191 0.000 2.391 311 D HA 0.520 5.161 4.640 0.001 0.000 0.245 311 D C -0.931 175.125 176.300 -0.406 0.000 1.069 311 D CA -0.093 53.814 54.000 -0.154 0.000 0.831 311 D CB 1.214 41.935 40.800 -0.133 0.000 1.204 311 D HN 0.148 nan 8.370 nan 0.000 0.503 312 Y N 0.041 120.293 120.300 -0.080 0.000 2.581 312 Y HA 0.365 4.916 4.550 0.001 0.000 0.345 312 Y C 0.301 176.165 175.900 -0.060 0.000 1.036 312 Y CA -0.952 57.100 58.100 -0.080 0.000 1.042 312 Y CB 1.938 40.354 38.460 -0.073 0.000 1.289 312 Y HN 0.086 nan 8.280 nan 0.000 0.471 313 E N 2.004 122.289 120.200 0.140 0.000 2.222 313 E HA 0.566 4.916 4.350 0.001 0.000 0.267 313 E C -1.639 175.033 176.600 0.119 0.000 0.884 313 E CA -0.961 55.508 56.400 0.115 0.000 0.764 313 E CB 3.108 32.923 29.700 0.191 0.000 1.169 313 E HN 0.451 nan 8.360 nan 0.000 0.413 314 L N 2.849 124.115 121.223 0.071 0.000 2.333 314 L HA 0.540 4.881 4.340 0.001 0.000 0.280 314 L C -1.068 175.935 176.870 0.221 0.000 1.004 314 L CA -0.454 54.461 54.840 0.125 0.000 0.820 314 L CB 0.921 43.000 42.059 0.034 0.000 1.247 314 L HN 0.462 nan 8.230 nan 0.000 0.416 315 R N 5.242 125.895 120.500 0.256 0.000 2.686 315 R HA 0.577 4.918 4.340 0.001 0.000 0.286 315 R C -1.204 175.250 176.300 0.257 0.000 0.969 315 R CA -0.926 55.337 56.100 0.272 0.000 0.898 315 R CB 2.156 32.649 30.300 0.322 0.000 1.183 315 R HN 0.446 nan 8.270 nan 0.000 0.456 316 I N 4.248 124.959 120.570 0.234 0.000 2.342 316 I HA 0.235 4.406 4.170 0.001 0.000 0.291 316 I C 0.039 176.263 176.117 0.178 0.000 1.010 316 I CA -0.518 60.904 61.300 0.205 0.000 1.308 316 I CB 1.116 39.235 38.000 0.198 0.000 1.400 316 I HN 0.475 nan 8.210 nan 0.000 0.488 317 I N 6.541 127.212 120.570 0.169 0.000 2.330 317 I HA 0.253 4.424 4.170 0.001 0.000 0.286 317 I C 0.560 176.812 176.117 0.226 0.000 1.025 317 I CA -0.753 60.652 61.300 0.175 0.000 1.197 317 I CB 0.494 38.581 38.000 0.145 0.000 1.358 317 I HN 0.327 nan 8.210 nan 0.000 0.467 318 K N 6.235 126.748 120.400 0.188 0.000 2.298 318 K HA 0.152 4.472 4.320 0.001 0.000 0.280 318 K C 0.509 177.178 176.600 0.115 0.000 1.032 318 K CA -0.428 55.949 56.287 0.150 0.000 0.958 318 K CB 1.119 33.672 32.500 0.089 0.000 0.978 318 K HN 0.595 nan 8.250 nan 0.000 0.472 319 Q N 0.196 119.987 119.800 -0.015 0.000 2.369 319 Q HA 0.050 4.390 4.340 0.001 0.000 0.295 319 Q C 0.572 176.417 176.000 -0.259 0.000 1.075 319 Q CA 0.604 56.152 55.803 -0.425 0.000 0.941 319 Q CB -0.023 28.541 28.738 -0.290 0.000 1.260 319 Q HN 0.838 nan 8.270 nan 0.000 0.417 320 G N 0.970 109.575 108.800 -0.324 0.000 2.176 320 G HA2 -0.293 3.668 3.960 0.001 0.000 0.252 320 G HA3 -0.293 3.668 3.960 0.001 0.000 0.252 320 G C 0.016 174.887 174.900 -0.048 0.000 1.024 320 G CA 0.520 45.541 45.100 -0.132 0.000 0.755 320 G HN 0.927 nan 8.290 nan 0.000 0.507 321 T N -1.038 113.509 114.554 -0.013 0.000 2.942 321 T HA 0.680 5.030 4.350 0.001 0.000 0.289 321 T C -1.026 173.718 174.700 0.073 0.000 1.044 321 T CA -1.140 60.984 62.100 0.040 0.000 1.023 321 T CB 1.772 70.680 68.868 0.066 0.000 1.123 321 T HN -0.114 nan 8.240 nan 0.000 0.512 322 P HA 0.016 nan 4.420 nan 0.000 0.218 322 P C 0.804 178.153 177.300 0.082 0.000 1.149 322 P CA 0.977 64.113 63.100 0.061 0.000 0.817 322 P CB 0.241 31.964 31.700 0.038 0.000 0.785 323 E N -1.813 118.438 120.200 0.086 0.000 2.107 323 E HA -0.180 4.170 4.350 0.001 0.000 0.191 323 E C 2.110 178.789 176.600 0.133 0.000 0.982 323 E CA 0.797 57.246 56.400 0.082 0.000 0.809 323 E CB -0.864 28.870 29.700 0.057 0.000 0.756 323 E HN 0.357 nan 8.360 nan 0.000 0.459 324 H N -0.394 118.710 119.070 0.057 0.000 2.495 324 H HA 0.139 4.696 4.556 0.001 0.000 0.287 324 H C 1.587 176.952 175.328 0.061 0.000 1.033 324 H CA 1.211 57.297 56.048 0.063 0.000 1.307 324 H CB 0.353 30.145 29.762 0.051 0.000 1.401 324 H HN 0.053 nan 8.280 nan 0.000 0.555 325 S N -0.015 115.838 115.700 0.256 0.000 2.425 325 S HA -0.028 4.442 4.470 0.001 0.000 0.225 325 S C 1.968 176.650 174.600 0.137 0.000 1.024 325 S CA 0.442 58.758 58.200 0.195 0.000 0.951 325 S CB 0.181 63.455 63.200 0.122 0.000 0.796 325 S HN 0.553 nan 8.310 nan 0.000 0.498 326 Q N 0.085 119.961 119.800 0.128 0.000 2.311 326 Q HA 0.186 4.526 4.340 0.001 0.000 0.203 326 Q C 1.564 177.696 176.000 0.220 0.000 0.954 326 Q CA 0.673 56.564 55.803 0.147 0.000 0.885 326 Q CB 0.060 28.870 28.738 0.120 0.000 0.963 326 Q HN 0.443 nan 8.270 nan 0.000 0.471 327 L N -0.638 120.674 121.223 0.148 0.000 2.470 327 L HA 0.026 4.367 4.340 0.001 0.000 0.219 327 L C 1.649 178.581 176.870 0.103 0.000 1.071 327 L CA 0.243 55.169 54.840 0.143 0.000 0.850 327 L CB 0.140 42.225 42.059 0.043 0.000 1.040 327 L HN 0.103 nan 8.230 nan 0.000 0.475 328 D N 0.791 121.180 120.400 -0.019 0.000 2.178 328 D HA -0.131 4.510 4.640 0.001 0.000 0.201 328 D C -0.765 175.521 176.300 -0.024 0.000 0.980 328 D CA 1.130 55.082 54.000 -0.080 0.000 0.842 328 D CB -0.434 40.345 40.800 -0.036 0.000 0.948 328 D HN 0.172 nan 8.370 nan 0.000 0.472 329 P HA -0.068 nan 4.420 nan 0.000 0.225 329 P C 0.683 177.889 177.300 -0.157 0.000 1.156 329 P CA 0.860 63.907 63.100 -0.087 0.000 0.787 329 P CB -0.182 31.445 31.700 -0.121 0.000 0.802 330 Y N 0.218 120.456 120.300 -0.103 0.000 2.509 330 Y HA 0.138 4.689 4.550 0.001 0.000 0.293 330 Y C 1.550 177.326 175.900 -0.207 0.000 1.133 330 Y CA 0.288 58.312 58.100 -0.128 0.000 1.283 330 Y CB -0.744 37.658 38.460 -0.097 0.000 1.001 330 Y HN -0.153 nan 8.280 nan 0.000 0.555 331 A N 0.278 123.047 122.820 -0.086 0.000 2.922 331 A HA 0.387 4.707 4.320 0.001 0.000 0.298 331 A C 0.900 178.305 177.584 -0.300 0.000 1.588 331 A CA -0.108 51.801 52.037 -0.214 0.000 1.288 331 A CB -0.660 18.237 19.000 -0.172 0.000 1.130 331 A HN 0.213 nan 8.150 nan 0.000 0.557 332 V N 0.828 120.532 119.914 -0.349 0.000 2.992 332 V HA 0.015 4.135 4.120 0.001 0.000 0.250 332 V C 1.133 176.985 176.094 -0.404 0.000 1.090 332 V CA 1.057 63.160 62.300 -0.329 0.000 1.101 332 V CB -0.159 31.520 31.823 -0.239 0.000 0.743 332 V HN 0.600 nan 8.190 nan 0.000 0.468 333 S N 0.233 115.646 115.700 -0.480 0.000 2.508 333 S HA 0.643 5.114 4.470 0.001 0.000 0.284 333 S C -0.633 173.837 174.600 -0.217 0.000 1.192 333 S CA -0.349 57.653 58.200 -0.329 0.000 1.070 333 S CB 0.837 63.805 63.200 -0.387 0.000 1.004 333 S HN 0.206 nan 8.310 nan 0.000 0.493 334 F N 2.163 122.132 119.950 0.031 0.000 2.389 334 F HA 0.471 4.999 4.527 0.000 0.000 0.337 334 F C 0.504 176.385 175.800 0.136 0.000 1.112 334 F CA -0.398 57.647 58.000 0.074 0.000 1.192 334 F CB 0.545 39.569 39.000 0.041 0.000 1.185 334 F HN 0.311 nan 8.300 nan 0.000 0.552 335 I N 2.062 122.826 120.570 0.324 0.000 2.498 335 I HA 0.520 4.690 4.170 0.001 0.000 0.290 335 I C 0.503 176.724 176.117 0.172 0.000 1.032 335 I CA -0.576 60.856 61.300 0.221 0.000 1.073 335 I CB 1.333 39.435 38.000 0.170 0.000 1.251 335 I HN 0.816 nan 8.210 nan 0.000 0.426 336 G N 5.493 114.362 108.800 0.115 0.000 2.578 336 G HA2 -0.309 3.651 3.960 0.001 0.000 0.275 336 G HA3 -0.309 3.651 3.960 0.001 0.000 0.275 336 G C 0.252 175.187 174.900 0.059 0.000 1.271 336 G CA 0.399 45.534 45.100 0.058 0.000 0.941 336 G HN 0.766 nan 8.290 nan 0.000 0.564 337 N N 0.039 118.754 118.700 0.025 0.000 2.143 337 N HA 0.132 4.872 4.740 0.001 0.000 0.229 337 N C 1.104 176.616 175.510 0.004 0.000 1.294 337 N CA -0.034 53.014 53.050 -0.002 0.000 0.883 337 N CB 0.797 39.269 38.487 -0.024 0.000 1.148 337 N HN 0.460 nan 8.380 nan 0.000 0.511 338 R N -0.563 119.959 120.500 0.036 0.000 2.600 338 R HA 0.248 4.588 4.340 0.001 0.000 0.392 338 R C 0.711 177.063 176.300 0.087 0.000 1.032 338 R CA 0.331 56.455 56.100 0.040 0.000 1.139 338 R CB 1.121 31.436 30.300 0.025 0.000 1.400 338 R HN 0.101 nan 8.270 nan 0.000 0.566 339 G N 1.555 110.447 108.800 0.153 0.000 2.176 339 G HA2 -0.312 3.649 3.960 0.001 0.000 0.232 339 G HA3 -0.312 3.649 3.960 0.001 0.000 0.232 339 G C 0.041 175.084 174.900 0.238 0.000 0.986 339 G CA -0.218 45.036 45.100 0.258 0.000 0.643 339 G HN 0.250 nan 8.290 nan 0.000 0.522 340 K N 0.864 121.371 120.400 0.178 0.000 2.448 340 K HA 0.416 4.736 4.320 0.001 0.000 0.278 340 K C 0.531 177.181 176.600 0.083 0.000 1.009 340 K CA 0.127 56.481 56.287 0.112 0.000 0.995 340 K CB 0.194 32.754 32.500 0.101 0.000 0.917 340 K HN 0.429 nan 8.250 nan 0.000 0.481 341 R N 2.938 123.421 120.500 -0.027 0.000 2.837 341 R HA 0.492 4.832 4.340 0.001 0.000 0.271 341 R C -0.983 175.315 176.300 -0.002 0.000 0.993 341 R CA -0.866 55.153 56.100 -0.135 0.000 0.931 341 R CB 1.338 31.418 30.300 -0.367 0.000 1.206 341 R HN 0.589 nan 8.270 nan 0.000 0.474 342 F N -1.498 118.315 119.950 -0.228 0.000 2.645 342 F HA 0.888 5.416 4.527 0.001 0.000 0.310 342 F C -0.705 174.921 175.800 -0.291 0.000 1.102 342 F CA -0.692 57.147 58.000 -0.269 0.000 0.952 342 F CB 2.105 40.930 39.000 -0.291 0.000 1.326 342 F HN 0.656 nan 8.300 nan 0.000 0.456 343 G N 0.537 108.999 108.800 -0.564 0.000 2.548 343 G HA2 0.515 4.475 3.960 0.001 0.000 0.301 343 G HA3 0.515 4.475 3.960 0.001 0.000 0.301 343 G C -2.696 171.881 174.900 -0.538 0.000 1.349 343 G CA -0.966 43.746 45.100 -0.647 0.000 0.792 343 G HN 0.743 nan 8.290 nan 0.000 0.481 344 Y N -0.913 119.285 120.300 -0.169 0.000 2.509 344 Y HA 0.797 5.348 4.550 0.001 0.000 0.341 344 Y C 0.230 176.063 175.900 -0.112 0.000 1.038 344 Y CA -0.792 57.199 58.100 -0.181 0.000 1.089 344 Y CB 2.582 40.924 38.460 -0.196 0.000 1.241 344 Y HN 0.573 nan 8.280 nan 0.000 0.468 345 I N 1.043 121.595 120.570 -0.029 0.000 2.894 345 I HA 0.446 4.617 4.170 0.001 0.000 0.302 345 I C -0.562 175.513 176.117 -0.070 0.000 1.188 345 I CA -0.767 60.475 61.300 -0.097 0.000 1.014 345 I CB 1.852 39.597 38.000 -0.424 0.000 1.242 345 I HN 0.751 nan 8.210 nan 0.000 0.430 346 S N 4.352 120.038 115.700 -0.022 0.000 2.573 346 S HA 0.140 4.611 4.470 0.001 0.000 0.277 346 S C 0.586 175.184 174.600 -0.002 0.000 1.346 346 S CA -0.290 57.903 58.200 -0.011 0.000 1.034 346 S CB 0.856 64.068 63.200 0.020 0.000 0.879 346 S HN 0.749 nan 8.310 nan 0.000 0.528 347 N N 1.910 120.588 118.700 -0.038 0.000 2.106 347 N HA -0.082 4.659 4.740 0.001 0.000 0.188 347 N C 1.628 177.238 175.510 0.167 0.000 1.029 347 N CA 1.540 54.552 53.050 -0.063 0.000 0.848 347 N CB -0.715 37.588 38.487 -0.306 0.000 1.007 347 N HN 0.824 nan 8.380 nan 0.000 0.423 348 E N 0.350 120.627 120.200 0.129 0.000 2.113 348 E HA -0.283 4.068 4.350 0.001 0.000 0.210 348 E C 1.600 178.285 176.600 0.141 0.000 1.040 348 E CA 1.740 58.226 56.400 0.143 0.000 0.847 348 E CB -0.068 29.682 29.700 0.083 0.000 0.755 348 E HN 0.303 nan 8.360 nan 0.000 0.459 349 E N -0.040 120.227 120.200 0.112 0.000 2.122 349 E HA -0.109 4.241 4.350 0.001 0.000 0.190 349 E C 1.654 178.313 176.600 0.099 0.000 0.977 349 E CA 0.439 56.890 56.400 0.086 0.000 0.820 349 E CB -0.324 29.413 29.700 0.060 0.000 0.770 349 E HN 0.202 nan 8.360 nan 0.000 0.462 350 F N 0.770 120.693 119.950 -0.045 0.000 2.087 350 F HA -0.157 4.371 4.527 0.001 0.000 0.299 350 F C 1.983 177.853 175.800 0.117 0.000 1.100 350 F CA 2.289 60.279 58.000 -0.016 0.000 1.226 350 F CB -0.894 38.093 39.000 -0.022 0.000 0.983 350 F HN 0.121 nan 8.300 nan 0.000 0.479 351 G N 0.382 109.309 108.800 0.212 0.000 2.459 351 G HA2 -0.309 3.652 3.960 0.001 0.000 0.217 351 G HA3 -0.309 3.652 3.960 0.001 0.000 0.217 351 G C 1.928 176.776 174.900 -0.087 0.000 1.183 351 G CA 0.773 45.918 45.100 0.075 0.000 0.776 351 G HN 0.264 nan 8.290 nan 0.000 0.552 352 R N 0.513 121.007 120.500 -0.011 0.000 2.103 352 R HA -0.043 4.297 4.340 0.001 0.000 0.242 352 R C 2.591 178.856 176.300 -0.059 0.000 1.142 352 R CA 1.348 57.434 56.100 -0.024 0.000 0.960 352 R CB -0.641 29.667 30.300 0.013 0.000 0.858 352 R HN 0.491 nan 8.270 nan 0.000 0.439 353 I N 0.756 121.277 120.570 -0.081 0.000 2.439 353 I HA -0.226 3.945 4.170 0.001 0.000 0.251 353 I C 2.066 178.095 176.117 -0.146 0.000 1.139 353 I CA 1.045 62.293 61.300 -0.087 0.000 1.438 353 I CB -0.104 37.852 38.000 -0.072 0.000 1.085 353 I HN 0.184 nan 8.210 nan 0.000 0.427 354 I N -2.628 117.782 120.570 -0.268 0.000 3.956 354 I HA 0.451 4.621 4.170 0.001 0.000 0.333 354 I C 1.246 177.248 176.117 -0.191 0.000 1.302 354 I CA 0.405 61.545 61.300 -0.266 0.000 1.122 354 I CB 0.380 38.099 38.000 -0.469 0.000 1.013 354 I HN 0.165 nan 8.210 nan 0.000 0.405 355 G N 1.616 110.313 108.800 -0.170 0.000 2.142 355 G HA2 -0.164 3.797 3.960 0.001 0.000 0.225 355 G HA3 -0.164 3.797 3.960 0.001 0.000 0.225 355 G C -0.149 174.646 174.900 -0.174 0.000 1.015 355 G CA 0.060 45.079 45.100 -0.135 0.000 0.716 355 G HN 0.313 nan 8.290 nan 0.000 0.508 356 V N 0.250 120.013 119.914 -0.252 0.000 2.680 356 V HA 0.703 4.823 4.120 0.001 0.000 0.309 356 V C 0.450 176.295 176.094 -0.414 0.000 1.052 356 V CA -0.438 61.638 62.300 -0.374 0.000 0.908 356 V CB 2.077 33.567 31.823 -0.556 0.000 1.001 356 V HN 0.265 nan 8.190 nan 0.000 0.431 357 T N 5.279 119.616 114.554 -0.360 0.000 2.733 357 T HA 0.568 4.918 4.350 0.001 0.000 0.294 357 T C -0.311 174.183 174.700 -0.342 0.000 0.956 357 T CA 0.129 62.083 62.100 -0.243 0.000 0.987 357 T CB 0.056 68.850 68.868 -0.124 0.000 0.920 357 T HN 0.281 nan 8.240 nan 0.000 0.470 358 F N 0.000 119.959 119.950 0.016 0.000 2.286 358 F HA 0.000 4.527 4.527 0.001 0.000 0.279 358 F CA 0.000 58.013 58.000 0.022 0.000 1.383 358 F CB 0.000 39.026 39.000 0.043 0.000 1.145 358 F HN 0.000 nan 8.300 nan 0.000 0.574