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 1m7r_1_A DATA FIRST_RESID 74 DATA SEQUENCE EEPPLLPGEN IKDMAKDVTY ICPFTGAVRG TLTVTNYRLY FKSMERDPPF DATA SEQUENCE VLDASLGVIN RVEKIGGASS RGENSYGLET VCKDIRNLRF AHKPEGRTRR DATA SEQUENCE SIFENLMKYA FPVSNNLPLF AFEYKEVFPE NGWKLYDPLL EYRRQGIPNE DATA SEQUENCE SWRITKINER YELCDTYPAL LVVPANIPDE ELKRVASFRS RGRIPVLSWI DATA SEQUENCE HPESQATITR CSQPMVGVSG KRSKEDEKYL QAIMDSNAQS HKIFIFDARP DATA SEQUENCE SVNAVANKAK GGGYESEDAY QNAELVFLDI HNIHVMRESL RKLKEIVYPN DATA SEQUENCE IEETHWLSNL ESTHWLEHIK LILAGALRIA DKVESGKTSV VVHSSDGWDR DATA SEQUENCE TAQLTSLAML MLDGYYRTIR GFEVLVEKEW LSFGHRFQLR VGHGDKNHAD DATA SEQUENCE ADRSPVFLQF IDCVWQMTRQ FPTAFEFNEY FLITILDHLY SCLFGTFLCN DATA SEQUENCE SEQQRGKENL PKRTVSLWSY INSQLEDFTN PLYGSYSNHV LYPVASMRHL DATA SEQUENCE ELWVGYYIRW NPR 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 74 E HA 0.000 nan 4.350 nan 0.000 0.291 74 E C 0.000 176.617 176.600 0.028 0.000 1.382 74 E CA 0.000 56.402 56.400 0.004 0.000 0.976 74 E CB 0.000 29.715 29.700 0.026 0.000 0.812 75 E N 1.833 122.025 120.200 -0.014 0.000 2.383 75 E HA 0.322 4.673 4.350 0.001 0.000 0.264 75 E C -1.985 174.496 176.600 -0.198 0.000 1.050 75 E CA -1.453 54.905 56.400 -0.070 0.000 0.896 75 E CB 0.402 30.059 29.700 -0.071 0.000 0.982 75 E HN 0.297 nan 8.360 nan 0.000 0.424 76 P HA 0.329 nan 4.420 nan 0.000 0.290 76 P C -2.546 174.468 177.300 -0.476 0.000 1.275 76 P CA -1.894 60.687 63.100 -0.865 0.000 0.841 76 P CB 0.499 31.730 31.700 -0.782 0.000 1.042 77 P HA 0.276 nan 4.420 nan 0.000 0.276 77 P C -0.561 176.658 177.300 -0.135 0.000 1.230 77 P CA 0.056 63.033 63.100 -0.205 0.000 0.776 77 P CB 0.874 32.494 31.700 -0.133 0.000 0.888 78 L N 2.327 123.507 121.223 -0.072 0.000 2.332 78 L HA 0.529 4.870 4.340 0.001 0.000 0.269 78 L C 0.466 177.350 176.870 0.023 0.000 1.016 78 L CA -1.229 53.600 54.840 -0.018 0.000 0.809 78 L CB 0.938 42.989 42.059 -0.013 0.000 1.280 78 L HN 0.231 nan 8.230 nan 0.000 0.447 79 L N 0.720 121.989 121.223 0.077 0.000 2.313 79 L HA 0.493 4.834 4.340 0.001 0.000 0.268 79 L C -2.330 174.585 176.870 0.075 0.000 1.010 79 L CA -1.935 52.971 54.840 0.110 0.000 0.814 79 L CB 1.135 43.338 42.059 0.239 0.000 1.304 79 L HN 0.294 nan 8.230 nan 0.000 0.441 80 P HA 0.088 nan 4.420 nan 0.000 0.257 80 P C 0.658 177.892 177.300 -0.109 0.000 1.227 80 P CA 0.789 63.802 63.100 -0.145 0.000 0.981 80 P CB 0.161 31.671 31.700 -0.316 0.000 1.044 81 G N 2.251 111.031 108.800 -0.033 0.000 2.255 81 G HA2 -0.188 3.773 3.960 0.001 0.000 0.196 81 G HA3 -0.188 3.773 3.960 0.001 0.000 0.196 81 G C -0.008 174.942 174.900 0.083 0.000 0.998 81 G CA -0.479 44.582 45.100 -0.065 0.000 0.656 81 G HN 0.558 nan 8.290 nan 0.000 0.490 82 E N 1.271 121.624 120.200 0.254 0.000 2.115 82 E HA 0.505 4.855 4.350 0.001 0.000 0.282 82 E C -0.353 176.321 176.600 0.124 0.000 0.987 82 E CA -0.550 56.049 56.400 0.332 0.000 0.797 82 E CB 0.267 30.164 29.700 0.329 0.000 1.086 82 E HN 0.519 nan 8.360 nan 0.000 0.397 83 N N 3.888 122.635 118.700 0.078 0.000 2.240 83 N HA 0.354 5.094 4.740 0.001 0.000 0.302 83 N C -0.592 174.891 175.510 -0.044 0.000 1.106 83 N CA -0.732 52.321 53.050 0.005 0.000 0.778 83 N CB 0.924 39.408 38.487 -0.004 0.000 1.431 83 N HN 0.326 nan 8.380 nan 0.000 0.479 84 I N 1.008 121.544 120.570 -0.057 0.000 2.710 84 I HA -0.024 4.147 4.170 0.001 0.000 0.286 84 I C 1.080 177.130 176.117 -0.111 0.000 1.181 84 I CA 0.062 61.312 61.300 -0.083 0.000 1.430 84 I CB 0.538 38.501 38.000 -0.061 0.000 1.367 84 I HN 0.497 nan 8.210 nan 0.000 0.577 85 K N 2.965 123.263 120.400 -0.170 0.000 2.391 85 K HA 0.254 4.574 4.320 0.001 0.000 0.197 85 K C -0.359 176.195 176.600 -0.076 0.000 1.087 85 K CA 0.241 56.416 56.287 -0.188 0.000 1.012 85 K CB 0.395 32.587 32.500 -0.513 0.000 0.925 85 K HN 0.637 nan 8.250 nan 0.000 0.547 86 D N -0.596 119.764 120.400 -0.066 0.000 2.783 86 D HA 0.277 4.918 4.640 0.001 0.000 0.253 86 D C -1.675 174.609 176.300 -0.027 0.000 1.206 86 D CA -0.383 53.601 54.000 -0.027 0.000 0.740 86 D CB 1.189 41.985 40.800 -0.007 0.000 1.313 86 D HN -0.108 nan 8.370 nan 0.000 0.427 87 M N 1.595 121.189 119.600 -0.011 0.000 2.520 87 M HA 0.767 5.248 4.480 0.001 0.000 0.280 87 M C -2.182 174.124 176.300 0.011 0.000 1.232 87 M CA -0.420 54.878 55.300 -0.003 0.000 0.892 87 M CB 2.161 34.758 32.600 -0.005 0.000 1.728 87 M HN 0.565 nan 8.290 nan 0.000 0.475 88 A N 3.630 126.464 122.820 0.024 0.000 2.459 88 A HA 0.706 5.027 4.320 0.001 0.000 0.296 88 A C -1.736 175.883 177.584 0.058 0.000 1.039 88 A CA -0.783 51.282 52.037 0.046 0.000 0.698 88 A CB 1.730 20.768 19.000 0.065 0.000 1.261 88 A HN 0.815 nan 8.150 nan 0.000 0.405 89 K N 0.984 121.417 120.400 0.055 0.000 2.156 89 K HA 0.523 4.843 4.320 0.001 0.000 0.250 89 K C -0.810 175.833 176.600 0.073 0.000 0.955 89 K CA -0.643 55.673 56.287 0.049 0.000 0.855 89 K CB 0.968 33.485 32.500 0.029 0.000 1.101 89 K HN 0.693 nan 8.250 nan 0.000 0.434 90 D N 0.165 120.607 120.400 0.070 0.000 3.017 90 D HA -0.138 4.503 4.640 0.001 0.000 0.220 90 D C -0.690 175.683 176.300 0.122 0.000 1.141 90 D CA 0.545 54.594 54.000 0.081 0.000 0.848 90 D CB -0.942 39.897 40.800 0.065 0.000 1.102 90 D HN 0.105 nan 8.370 nan 0.000 0.427 91 V N 0.429 120.448 119.914 0.174 0.000 2.732 91 V HA 0.392 4.513 4.120 0.001 0.000 0.297 91 V C 1.032 177.303 176.094 0.295 0.000 1.060 91 V CA 0.280 62.707 62.300 0.213 0.000 1.038 91 V CB 1.941 33.912 31.823 0.246 0.000 1.003 91 V HN 0.074 nan 8.190 nan 0.000 0.481 92 T N 4.045 118.703 114.554 0.173 0.000 2.786 92 T HA 0.399 4.749 4.350 0.001 0.000 0.283 92 T C -1.018 173.708 174.700 0.044 0.000 0.992 92 T CA -0.177 62.008 62.100 0.142 0.000 0.954 92 T CB 0.689 69.570 68.868 0.020 0.000 0.934 92 T HN 0.530 nan 8.240 nan 0.000 0.440 93 Y N 4.414 124.582 120.300 -0.221 0.000 2.320 93 Y HA 0.592 5.142 4.550 0.001 0.000 0.334 93 Y C -0.540 175.090 175.900 -0.450 0.000 1.055 93 Y CA -1.584 56.158 58.100 -0.596 0.000 1.143 93 Y CB 0.451 38.228 38.460 -1.138 0.000 1.193 93 Y HN 0.568 nan 8.280 nan 0.000 0.477 94 I N 7.400 127.299 120.570 -1.119 0.000 2.269 94 I HA 0.157 4.328 4.170 0.001 0.000 0.293 94 I C -0.234 175.141 176.117 -1.236 0.000 1.106 94 I CA -0.422 60.335 61.300 -0.904 0.000 1.248 94 I CB 0.151 37.802 38.000 -0.581 0.000 1.444 94 I HN 0.598 nan 8.210 nan 0.000 0.497 95 C N 9.754 128.478 119.300 -0.959 0.000 2.464 95 C HA 0.301 4.761 4.460 0.001 0.000 0.370 95 C C -0.473 174.232 174.990 -0.474 0.000 1.267 95 C CA -1.451 57.220 59.018 -0.577 0.000 1.781 95 C CB 0.045 27.758 27.740 -0.045 0.000 2.431 95 C HN 0.627 nan 8.230 nan 0.000 0.556 96 P HA -0.016 nan 4.420 nan 0.000 0.239 96 P C 0.435 177.257 177.300 -0.796 0.000 1.184 96 P CA 1.288 63.896 63.100 -0.821 0.000 0.760 96 P CB -0.188 30.803 31.700 -1.181 0.000 0.884 97 F N -0.759 119.154 119.950 -0.062 0.000 2.747 97 F HA 0.138 4.665 4.527 0.001 0.000 0.305 97 F C 1.985 177.780 175.800 -0.008 0.000 1.065 97 F CA 0.768 58.760 58.000 -0.014 0.000 1.230 97 F CB -0.230 38.804 39.000 0.056 0.000 1.027 97 F HN -0.090 nan 8.300 nan 0.000 0.607 98 T N -2.706 111.919 114.554 0.119 0.000 3.041 98 T HA 0.620 4.970 4.350 0.001 0.000 0.276 98 T C 0.806 175.473 174.700 -0.055 0.000 0.948 98 T CA 0.226 62.360 62.100 0.057 0.000 0.885 98 T CB 0.561 69.497 68.868 0.113 0.000 1.175 98 T HN 0.487 nan 8.240 nan 0.000 0.529 99 G N 1.375 110.095 108.800 -0.133 0.000 2.566 99 G HA2 0.380 4.341 3.960 0.001 0.000 0.599 99 G HA3 0.380 4.341 3.960 0.001 0.000 0.599 99 G C -0.150 174.601 174.900 -0.249 0.000 1.292 99 G CA -0.435 44.557 45.100 -0.181 0.000 0.922 99 G HN 1.127 nan 8.290 nan 0.000 0.514 100 A N -1.212 121.473 122.820 -0.224 0.000 2.445 100 A HA 0.627 4.947 4.320 0.001 0.000 0.242 100 A C 0.361 177.835 177.584 -0.185 0.000 1.075 100 A CA 0.746 52.647 52.037 -0.227 0.000 0.777 100 A CB 0.692 19.594 19.000 -0.164 0.000 1.013 100 A HN 2.012 nan 8.150 nan 0.000 0.493 101 V N 4.074 123.895 119.914 -0.154 0.000 2.577 101 V HA 0.282 4.403 4.120 0.001 0.000 0.294 101 V C -0.150 176.044 176.094 0.166 0.000 1.052 101 V CA -0.600 61.656 62.300 -0.074 0.000 0.891 101 V CB 1.523 33.160 31.823 -0.310 0.000 1.017 101 V HN 1.003 nan 8.190 nan 0.000 0.436 102 R N 2.632 123.205 120.500 0.121 0.000 2.390 102 R HA 0.791 5.132 4.340 0.001 0.000 0.291 102 R C 0.531 176.905 176.300 0.123 0.000 1.070 102 R CA 0.068 56.271 56.100 0.171 0.000 1.014 102 R CB 1.577 31.927 30.300 0.083 0.000 1.007 102 R HN 0.935 nan 8.270 nan 0.000 0.466 103 G N 0.456 109.321 108.800 0.109 0.000 2.494 103 G HA2 0.198 4.159 3.960 0.001 0.000 0.308 103 G HA3 0.198 4.159 3.960 0.001 0.000 0.308 103 G C -1.320 173.502 174.900 -0.130 0.000 1.263 103 G CA -0.570 44.427 45.100 -0.172 0.000 0.840 103 G HN 0.397 nan 8.290 nan 0.000 0.479 104 T N 0.409 114.808 114.554 -0.258 0.000 2.859 104 T HA 0.586 4.937 4.350 0.001 0.000 0.281 104 T C -0.955 173.720 174.700 -0.042 0.000 1.005 104 T CA -0.163 61.889 62.100 -0.080 0.000 1.025 104 T CB 1.635 70.477 68.868 -0.045 0.000 0.977 104 T HN 0.516 nan 8.240 nan 0.000 0.458 105 L N 3.265 124.539 121.223 0.086 0.000 2.319 105 L HA 0.572 4.912 4.340 0.001 0.000 0.281 105 L C -0.273 176.613 176.870 0.027 0.000 1.005 105 L CA 0.080 54.974 54.840 0.091 0.000 0.828 105 L CB 1.379 43.438 42.059 -0.001 0.000 1.227 105 L HN 0.630 nan 8.230 nan 0.000 0.415 106 T N 3.701 118.283 114.554 0.047 0.000 2.888 106 T HA 0.659 5.009 4.350 0.001 0.000 0.284 106 T C -0.844 173.842 174.700 -0.024 0.000 1.017 106 T CA -0.461 61.648 62.100 0.015 0.000 1.022 106 T CB 1.867 70.754 68.868 0.031 0.000 1.013 106 T HN 0.269 nan 8.240 nan 0.000 0.465 107 V N 2.987 122.863 119.914 -0.063 0.000 2.380 107 V HA 0.327 4.448 4.120 0.001 0.000 0.268 107 V C 0.727 176.725 176.094 -0.160 0.000 1.008 107 V CA -0.879 61.360 62.300 -0.102 0.000 0.823 107 V CB 0.854 32.621 31.823 -0.095 0.000 1.053 107 V HN 1.122 nan 8.190 nan 0.000 0.446 108 T N 0.848 115.319 114.554 -0.140 0.000 2.732 108 T HA 0.125 4.476 4.350 0.001 0.000 0.287 108 T C 1.155 175.739 174.700 -0.193 0.000 0.993 108 T CA -0.049 61.960 62.100 -0.152 0.000 0.966 108 T CB 0.694 69.527 68.868 -0.058 0.000 1.047 108 T HN 0.632 nan 8.240 nan 0.000 0.527 109 N N 0.120 118.755 118.700 -0.107 0.000 2.413 109 N HA 0.002 4.743 4.740 0.001 0.000 0.207 109 N C 0.211 175.915 175.510 0.322 0.000 1.206 109 N CA 0.091 53.143 53.050 0.004 0.000 0.832 109 N CB -0.544 38.014 38.487 0.118 0.000 1.037 109 N HN 0.820 nan 8.380 nan 0.000 0.467 110 Y N 0.432 120.670 120.300 -0.103 0.000 2.449 110 Y HA 0.270 4.820 4.550 0.001 0.000 0.283 110 Y C -0.022 175.707 175.900 -0.285 0.000 1.079 110 Y CA -0.359 57.501 58.100 -0.400 0.000 1.099 110 Y CB 0.567 38.194 38.460 -1.388 0.000 1.354 110 Y HN 0.127 nan 8.280 nan 0.000 0.569 111 R N 0.369 120.621 120.500 -0.413 0.000 2.795 111 R HA 0.581 4.921 4.340 0.001 0.000 0.268 111 R C -2.360 173.814 176.300 -0.210 0.000 1.041 111 R CA -1.004 54.828 56.100 -0.447 0.000 0.927 111 R CB 1.301 31.314 30.300 -0.478 0.000 1.235 111 R HN 0.136 nan 8.270 nan 0.000 0.463 112 L N 2.002 123.121 121.223 -0.173 0.000 2.294 112 L HA 0.457 4.798 4.340 0.001 0.000 0.283 112 L C -1.694 175.166 176.870 -0.016 0.000 1.015 112 L CA -0.543 54.236 54.840 -0.103 0.000 0.831 112 L CB 1.047 43.023 42.059 -0.138 0.000 1.217 112 L HN 0.624 nan 8.230 nan 0.000 0.420 113 Y N 5.129 125.373 120.300 -0.093 0.000 2.377 113 Y HA 0.597 5.148 4.550 0.001 0.000 0.339 113 Y C -1.487 174.444 175.900 0.051 0.000 1.011 113 Y CA -0.708 57.369 58.100 -0.040 0.000 1.093 113 Y CB 1.694 40.120 38.460 -0.057 0.000 1.201 113 Y HN 0.555 nan 8.280 nan 0.000 0.455 114 F N 6.708 126.385 119.950 -0.455 0.000 2.617 114 F HA 0.487 5.015 4.527 0.001 0.000 0.325 114 F C -1.567 174.077 175.800 -0.259 0.000 1.179 114 F CA -0.634 57.236 58.000 -0.217 0.000 0.965 114 F CB 0.887 39.845 39.000 -0.070 0.000 1.232 114 F HN 0.437 nan 8.300 nan 0.000 0.461 115 K N 4.279 124.284 120.400 -0.658 0.000 2.371 115 K HA 0.693 5.014 4.320 0.001 0.000 0.251 115 K C -1.612 174.690 176.600 -0.496 0.000 0.934 115 K CA -0.684 55.353 56.287 -0.418 0.000 0.798 115 K CB 2.049 34.531 32.500 -0.031 0.000 1.204 115 K HN 0.586 nan 8.250 nan 0.000 0.427 116 S N 4.293 119.854 115.700 -0.231 0.000 2.557 116 S HA 0.376 4.847 4.470 0.001 0.000 0.291 116 S C 0.086 174.686 174.600 -0.000 0.000 1.116 116 S CA -0.785 57.337 58.200 -0.131 0.000 0.992 116 S CB 1.085 64.249 63.200 -0.060 0.000 1.028 116 S HN 0.681 nan 8.310 nan 0.000 0.484 117 M N 3.420 123.015 119.600 -0.008 0.000 2.493 117 M HA 0.249 4.729 4.480 0.001 0.000 0.244 117 M C 0.565 176.879 176.300 0.023 0.000 1.182 117 M CA 0.347 55.657 55.300 0.017 0.000 0.981 117 M CB -0.935 31.669 32.600 0.007 0.000 1.551 117 M HN 0.737 nan 8.290 nan 0.000 0.476 118 E N 0.580 120.794 120.200 0.024 0.000 2.479 118 E HA 0.095 4.446 4.350 0.001 0.000 0.193 118 E C 0.183 176.801 176.600 0.030 0.000 1.049 118 E CA 0.163 56.575 56.400 0.020 0.000 0.870 118 E CB 0.615 30.321 29.700 0.010 0.000 0.944 118 E HN 0.340 nan 8.360 nan 0.000 0.492 119 R N 0.743 121.277 120.500 0.057 0.000 2.670 119 R HA 0.108 4.449 4.340 0.001 0.000 0.289 119 R C 0.278 176.622 176.300 0.073 0.000 0.965 119 R CA -0.513 55.632 56.100 0.076 0.000 0.899 119 R CB 1.591 31.973 30.300 0.138 0.000 1.173 119 R HN -0.046 nan 8.270 nan 0.000 0.456 120 D N 2.416 122.852 120.400 0.060 0.000 2.120 120 D HA -0.047 4.593 4.640 0.001 0.000 0.191 120 D C -1.238 175.095 176.300 0.055 0.000 0.994 120 D CA 1.285 55.314 54.000 0.049 0.000 0.838 120 D CB -0.837 39.988 40.800 0.040 0.000 0.976 120 D HN 0.363 nan 8.370 nan 0.000 0.447 121 P HA 0.247 nan 4.420 nan 0.000 0.271 121 P C -2.582 174.770 177.300 0.087 0.000 1.226 121 P CA -1.074 62.064 63.100 0.064 0.000 0.765 121 P CB 0.396 32.132 31.700 0.060 0.000 0.835 122 P HA 0.041 nan 4.420 nan 0.000 0.262 122 P C -0.499 176.862 177.300 0.101 0.000 1.199 122 P CA 0.005 63.156 63.100 0.085 0.000 0.763 122 P CB -0.057 31.676 31.700 0.055 0.000 0.790 123 F N 5.703 125.663 119.950 0.017 0.000 2.490 123 F HA 0.169 4.696 4.527 0.001 0.000 0.357 123 F C -0.316 175.480 175.800 -0.006 0.000 1.166 123 F CA 0.106 58.132 58.000 0.044 0.000 1.116 123 F CB 0.128 39.195 39.000 0.111 0.000 1.171 123 F HN 0.012 nan 8.300 nan 0.000 0.576 124 V N 7.906 127.594 119.914 -0.376 0.000 2.417 124 V HA 0.317 4.438 4.120 0.001 0.000 0.291 124 V C -0.682 175.098 176.094 -0.522 0.000 1.024 124 V CA -0.850 61.225 62.300 -0.374 0.000 0.861 124 V CB 1.536 33.227 31.823 -0.220 0.000 0.985 124 V HN 0.522 nan 8.190 nan 0.000 0.436 125 L N 4.881 125.828 121.223 -0.461 0.000 2.318 125 L HA 0.661 5.002 4.340 0.001 0.000 0.277 125 L C -0.828 175.772 176.870 -0.450 0.000 1.008 125 L CA 0.119 54.712 54.840 -0.412 0.000 0.846 125 L CB 1.265 43.133 42.059 -0.319 0.000 1.220 125 L HN 0.711 nan 8.230 nan 0.000 0.423 126 D N 4.663 124.862 120.400 -0.334 0.000 2.440 126 D HA 0.660 5.301 4.640 0.001 0.000 0.252 126 D C -1.283 174.943 176.300 -0.123 0.000 1.180 126 D CA -0.131 53.760 54.000 -0.182 0.000 0.894 126 D CB 1.628 42.451 40.800 0.038 0.000 1.111 126 D HN 0.586 nan 8.370 nan 0.000 0.544 127 A N 2.635 125.361 122.820 -0.157 0.000 2.355 127 A HA 0.660 4.981 4.320 0.001 0.000 0.317 127 A C 0.047 177.484 177.584 -0.245 0.000 1.094 127 A CA -0.685 51.241 52.037 -0.184 0.000 0.764 127 A CB 1.347 20.216 19.000 -0.218 0.000 1.230 127 A HN 0.408 nan 8.150 nan 0.000 0.448 128 S N 1.126 116.646 115.700 -0.300 0.000 2.579 128 S HA 0.196 4.667 4.470 0.001 0.000 0.275 128 S C 1.442 175.855 174.600 -0.312 0.000 1.345 128 S CA -0.420 57.488 58.200 -0.487 0.000 1.031 128 S CB 0.446 63.352 63.200 -0.491 0.000 0.892 128 S HN 0.569 nan 8.310 nan 0.000 0.529 129 L N 1.900 122.930 121.223 -0.322 0.000 2.217 129 L HA 0.003 4.343 4.340 0.001 0.000 0.211 129 L C 2.584 179.387 176.870 -0.111 0.000 1.107 129 L CA 0.969 55.686 54.840 -0.205 0.000 0.783 129 L CB -0.944 41.012 42.059 -0.172 0.000 0.919 129 L HN 0.887 nan 8.230 nan 0.000 0.442 130 G N -0.572 108.215 108.800 -0.022 0.000 2.498 130 G HA2 -0.161 3.800 3.960 0.001 0.000 0.219 130 G HA3 -0.161 3.800 3.960 0.001 0.000 0.219 130 G C 1.538 176.495 174.900 0.095 0.000 1.119 130 G CA 0.462 45.637 45.100 0.125 0.000 0.766 130 G HN 0.211 nan 8.290 nan 0.000 0.552 131 V N 0.832 120.745 119.914 -0.001 0.000 2.951 131 V HA 0.189 4.310 4.120 0.001 0.000 0.255 131 V C 1.324 177.346 176.094 -0.121 0.000 1.088 131 V CA 0.133 62.378 62.300 -0.091 0.000 1.109 131 V CB -0.141 31.640 31.823 -0.071 0.000 0.724 131 V HN 0.276 nan 8.190 nan 0.000 0.471 132 I N 1.290 121.814 120.570 -0.076 0.000 2.587 132 I HA 0.006 4.177 4.170 0.001 0.000 0.284 132 I C 1.276 177.482 176.117 0.148 0.000 1.134 132 I CA 0.281 61.557 61.300 -0.041 0.000 1.410 132 I CB 0.392 38.299 38.000 -0.156 0.000 1.392 132 I HN 0.136 nan 8.210 nan 0.000 0.545 133 N N 5.429 124.192 118.700 0.105 0.000 2.349 133 N HA 0.069 4.810 4.740 0.001 0.000 0.180 133 N C 0.067 175.688 175.510 0.186 0.000 1.024 133 N CA 0.665 53.792 53.050 0.129 0.000 0.869 133 N CB 0.421 38.915 38.487 0.011 0.000 1.022 133 N HN 0.616 nan 8.380 nan 0.000 0.433 134 R N -1.154 119.417 120.500 0.117 0.000 2.774 134 R HA 0.621 4.961 4.340 0.001 0.000 0.272 134 R C -1.653 174.709 176.300 0.103 0.000 1.000 134 R CA -0.832 55.309 56.100 0.067 0.000 0.906 134 R CB 1.342 31.439 30.300 -0.340 0.000 1.227 134 R HN -0.243 nan 8.270 nan 0.000 0.468 135 V N 1.589 121.582 119.914 0.132 0.000 2.495 135 V HA 0.445 4.565 4.120 0.001 0.000 0.298 135 V C -0.609 175.645 176.094 0.266 0.000 1.031 135 V CA -0.688 61.692 62.300 0.133 0.000 0.871 135 V CB 1.648 33.459 31.823 -0.021 0.000 0.988 135 V HN 0.711 nan 8.190 nan 0.000 0.432 136 E N 3.121 123.472 120.200 0.252 0.000 2.293 136 E HA 0.486 4.837 4.350 0.001 0.000 0.270 136 E C -1.051 175.628 176.600 0.133 0.000 0.879 136 E CA -0.841 55.677 56.400 0.197 0.000 0.756 136 E CB 2.770 32.514 29.700 0.073 0.000 1.208 136 E HN 0.532 nan 8.360 nan 0.000 0.428 137 K N 1.788 122.177 120.400 -0.019 0.000 2.144 137 K HA 0.556 4.877 4.320 0.001 0.000 0.270 137 K C 0.029 176.599 176.600 -0.051 0.000 1.005 137 K CA -0.373 55.837 56.287 -0.128 0.000 0.932 137 K CB 0.999 33.300 32.500 -0.331 0.000 1.021 137 K HN 0.365 nan 8.250 nan 0.000 0.462 138 I N 0.922 121.469 120.570 -0.037 0.000 2.466 138 I HA 0.295 4.465 4.170 0.001 0.000 0.289 138 I C 0.771 176.910 176.117 0.036 0.000 1.026 138 I CA -0.124 61.171 61.300 -0.008 0.000 1.078 138 I CB 1.894 39.884 38.000 -0.016 0.000 1.249 138 I HN 0.979 nan 8.210 nan 0.000 0.429 139 G N 4.011 112.842 108.800 0.051 0.000 2.953 139 G HA2 0.122 4.083 3.960 0.001 0.000 0.201 139 G HA3 0.122 4.083 3.960 0.001 0.000 0.201 139 G C 0.412 175.360 174.900 0.080 0.000 1.501 139 G CA -0.022 45.137 45.100 0.097 0.000 1.094 139 G HN 1.465 nan 8.290 nan 0.000 0.555 140 G N -0.129 108.735 108.800 0.107 0.000 2.113 140 G HA2 0.549 4.509 3.960 0.001 0.000 0.082 140 G HA3 0.549 4.509 3.960 0.001 0.000 0.082 140 G C -0.041 174.902 174.900 0.072 0.000 1.155 140 G CA 1.417 46.550 45.100 0.055 0.000 1.241 140 G HN 2.325 nan 8.290 nan 0.000 0.453 141 A N -1.132 121.689 122.820 0.001 0.000 2.413 141 A HA 1.018 5.339 4.320 0.001 0.000 0.307 141 A C 1.035 178.521 177.584 -0.164 0.000 1.087 141 A CA 1.030 53.040 52.037 -0.045 0.000 0.750 141 A CB 1.227 20.205 19.000 -0.036 0.000 1.296 141 A HN 2.630 nan 8.150 nan 0.000 0.423 142 S N 0.647 116.195 115.700 -0.254 0.000 4.158 142 S HA -0.276 4.195 4.470 0.001 0.000 0.539 142 S C 0.910 175.221 174.600 -0.482 0.000 1.860 142 S CA 2.865 60.876 58.200 -0.315 0.000 4.243 142 S CB -1.512 61.587 63.200 -0.168 0.000 0.295 142 S HN 2.580 nan 8.310 nan 0.000 0.455 143 S N 0.017 115.548 115.700 -0.282 0.000 2.589 143 S HA 0.455 4.925 4.470 0.001 0.000 0.210 143 S C 0.315 174.848 174.600 -0.112 0.000 0.803 143 S CA -0.051 58.014 58.200 -0.226 0.000 1.061 143 S CB 0.035 63.129 63.200 -0.176 0.000 1.637 143 S HN 0.503 nan 8.310 nan 0.000 0.462 144 R N 0.679 121.126 120.500 -0.089 0.000 2.173 144 R HA 0.213 4.554 4.340 0.001 0.000 0.208 144 R C 1.440 177.725 176.300 -0.025 0.000 1.035 144 R CA 0.635 56.706 56.100 -0.049 0.000 1.004 144 R CB -0.794 29.482 30.300 -0.041 0.000 0.917 144 R HN 0.520 nan 8.270 nan 0.000 0.462 145 G N 1.201 109.996 108.800 -0.009 0.000 2.554 145 G HA2 -0.084 3.877 3.960 0.001 0.000 0.238 145 G HA3 -0.084 3.877 3.960 0.001 0.000 0.238 145 G C -0.481 174.422 174.900 0.005 0.000 1.259 145 G CA -0.399 44.708 45.100 0.013 0.000 0.843 145 G HN 0.175 nan 8.290 nan 0.000 0.582 146 E N 1.597 121.797 120.200 -0.000 0.000 1.802 146 E HA -0.021 4.329 4.350 0.001 0.000 0.265 146 E C 0.594 177.191 176.600 -0.006 0.000 1.168 146 E CA -0.278 56.117 56.400 -0.008 0.000 1.033 146 E CB -0.415 29.276 29.700 -0.014 0.000 1.095 146 E HN 0.581 nan 8.360 nan 0.000 0.436 147 N N 3.035 121.736 118.700 0.002 0.000 2.696 147 N HA -0.203 4.537 4.740 0.001 0.000 0.256 147 N C -1.567 173.948 175.510 0.008 0.000 1.031 147 N CA 1.252 54.305 53.050 0.004 0.000 0.730 147 N CB -1.281 37.198 38.487 -0.013 0.000 0.894 147 N HN 0.433 nan 8.380 nan 0.000 0.544 148 S N 0.341 116.067 115.700 0.042 0.000 2.787 148 S HA 0.101 4.571 4.470 0.001 0.000 0.140 148 S C -1.093 173.585 174.600 0.131 0.000 1.240 148 S CA -0.794 57.432 58.200 0.044 0.000 1.163 148 S CB -0.451 62.752 63.200 0.005 0.000 1.652 148 S HN 0.304 nan 8.310 nan 0.000 0.443 149 Y N 2.363 122.669 120.300 0.010 0.000 2.676 149 Y HA 0.679 5.229 4.550 0.001 0.000 0.338 149 Y C 0.471 176.439 175.900 0.113 0.000 1.057 149 Y CA 0.031 58.162 58.100 0.052 0.000 1.314 149 Y CB 0.275 38.770 38.460 0.058 0.000 1.164 149 Y HN 0.828 nan 8.280 nan 0.000 0.509 150 G N 3.735 112.476 108.800 -0.098 0.000 2.749 150 G HA2 0.575 4.536 3.960 0.001 0.000 0.300 150 G HA3 0.575 4.536 3.960 0.001 0.000 0.300 150 G C -2.073 172.820 174.900 -0.013 0.000 1.352 150 G CA -0.926 44.133 45.100 -0.068 0.000 0.789 150 G HN 0.499 nan 8.290 nan 0.000 0.509 151 L N -2.178 119.102 121.223 0.095 0.000 2.279 151 L HA 0.974 5.315 4.340 0.001 0.000 0.262 151 L C -0.366 176.598 176.870 0.156 0.000 1.019 151 L CA -1.528 53.396 54.840 0.140 0.000 0.823 151 L CB 1.796 44.009 42.059 0.256 0.000 1.358 151 L HN 0.716 nan 8.230 nan 0.000 0.432 152 E N -0.614 119.672 120.200 0.144 0.000 2.331 152 E HA 0.616 4.967 4.350 0.001 0.000 0.275 152 E C -1.562 175.100 176.600 0.104 0.000 0.895 152 E CA -0.591 55.867 56.400 0.096 0.000 0.753 152 E CB 2.016 31.724 29.700 0.013 0.000 1.216 152 E HN 0.908 nan 8.360 nan 0.000 0.434 153 T N 0.002 114.606 114.554 0.084 0.000 2.770 153 T HA 0.446 4.796 4.350 0.001 0.000 0.283 153 T C -0.282 174.409 174.700 -0.015 0.000 0.988 153 T CA -0.719 61.407 62.100 0.042 0.000 0.957 153 T CB 1.048 69.943 68.868 0.045 0.000 0.930 153 T HN 0.120 nan 8.240 nan 0.000 0.443 154 V N 3.824 123.726 119.914 -0.020 0.000 2.408 154 V HA 0.273 4.394 4.120 0.001 0.000 0.267 154 V C 0.532 176.585 176.094 -0.069 0.000 1.047 154 V CA -0.695 61.579 62.300 -0.044 0.000 0.937 154 V CB -0.076 31.724 31.823 -0.038 0.000 0.999 154 V HN 1.099 nan 8.190 nan 0.000 0.472 155 C N 4.790 124.019 119.300 -0.118 0.000 2.365 155 C HA 0.340 4.801 4.460 0.001 0.000 0.349 155 C C 1.810 176.702 174.990 -0.165 0.000 1.191 155 C CA -0.895 58.030 59.018 -0.156 0.000 2.114 155 C CB 1.425 29.036 27.740 -0.216 0.000 2.367 155 C HN 0.912 nan 8.230 nan 0.000 0.530 156 K N 0.579 120.829 120.400 -0.249 0.000 2.288 156 K HA -0.086 4.235 4.320 0.001 0.000 0.201 156 K C 0.100 176.593 176.600 -0.178 0.000 1.048 156 K CA 1.178 57.250 56.287 -0.358 0.000 0.956 156 K CB -0.124 31.793 32.500 -0.971 0.000 0.746 156 K HN 0.760 nan 8.250 nan 0.000 0.461 157 D N 0.675 121.020 120.400 -0.092 0.000 3.179 157 D HA 0.142 4.783 4.640 0.001 0.000 0.267 157 D C -0.005 176.295 176.300 -0.000 0.000 1.348 157 D CA -0.351 53.655 54.000 0.010 0.000 0.897 157 D CB -0.685 40.148 40.800 0.054 0.000 1.062 157 D HN 0.051 nan 8.370 nan 0.000 0.494 158 I N -0.084 120.461 120.570 -0.041 0.000 6.170 158 I HA -0.413 3.758 4.170 0.001 0.000 0.126 158 I C 0.094 176.040 176.117 -0.286 0.000 1.661 158 I CA 0.866 62.128 61.300 -0.064 0.000 2.441 158 I CB -1.271 36.746 38.000 0.027 0.000 3.131 158 I HN 0.413 nan 8.210 nan 0.000 0.276 159 R N 0.422 120.656 120.500 -0.443 0.000 2.828 159 R HA 0.775 5.115 4.340 0.001 0.000 0.264 159 R C -0.293 175.703 176.300 -0.507 0.000 1.022 159 R CA -1.036 54.488 56.100 -0.960 0.000 1.021 159 R CB 1.163 30.731 30.300 -1.220 0.000 1.163 159 R HN -0.031 nan 8.270 nan 0.000 0.494 160 N N 0.967 119.471 118.700 -0.328 0.000 2.295 160 N HA 0.376 5.117 4.740 0.001 0.000 0.293 160 N C -1.349 174.135 175.510 -0.044 0.000 1.040 160 N CA -0.588 52.425 53.050 -0.063 0.000 0.840 160 N CB 2.189 40.722 38.487 0.076 0.000 1.468 160 N HN 0.447 nan 8.380 nan 0.000 0.478 161 L N 1.540 122.707 121.223 -0.094 0.000 2.305 161 L HA 0.535 4.876 4.340 0.001 0.000 0.284 161 L C 0.389 177.118 176.870 -0.234 0.000 1.013 161 L CA -0.634 54.126 54.840 -0.133 0.000 0.819 161 L CB 1.819 43.794 42.059 -0.140 0.000 1.227 161 L HN 0.254 nan 8.230 nan 0.000 0.417 162 R N 3.162 123.411 120.500 -0.418 0.000 2.445 162 R HA 0.647 4.987 4.340 0.001 0.000 0.308 162 R C -1.616 174.294 176.300 -0.650 0.000 0.961 162 R CA -0.431 55.435 56.100 -0.389 0.000 0.862 162 R CB 1.260 31.381 30.300 -0.299 0.000 1.144 162 R HN 0.335 nan 8.270 nan 0.000 0.447 163 F N 1.579 121.436 119.950 -0.155 0.000 2.561 163 F HA 0.663 5.190 4.527 0.001 0.000 0.321 163 F C 0.263 175.838 175.800 -0.374 0.000 1.065 163 F CA -0.797 57.051 58.000 -0.253 0.000 0.934 163 F CB 2.185 41.037 39.000 -0.246 0.000 1.215 163 F HN 0.549 nan 8.300 nan 0.000 0.471 164 A N 1.193 123.875 122.820 -0.229 0.000 2.337 164 A HA 0.798 5.119 4.320 0.001 0.000 0.331 164 A C -1.282 176.046 177.584 -0.426 0.000 1.137 164 A CA -0.475 51.403 52.037 -0.265 0.000 0.807 164 A CB 0.826 19.751 19.000 -0.126 0.000 1.250 164 A HN 0.800 nan 8.150 nan 0.000 0.468 165 H N 1.218 120.302 119.070 0.024 0.000 2.851 165 H HA 0.297 4.854 4.556 0.002 0.000 0.372 165 H C -0.587 174.841 175.328 0.168 0.000 1.158 165 H CA -0.832 55.251 56.048 0.057 0.000 1.159 165 H CB 1.551 31.269 29.762 -0.073 0.000 1.757 165 H HN 0.586 nan 8.280 nan 0.000 0.546 166 K N 2.327 122.889 120.400 0.269 0.000 2.336 166 K HA 0.037 4.358 4.320 0.001 0.000 0.262 166 K C -1.413 175.319 176.600 0.220 0.000 0.992 166 K CA -1.265 55.137 56.287 0.193 0.000 0.927 166 K CB 0.667 33.246 32.500 0.133 0.000 0.956 166 K HN 0.424 nan 8.250 nan 0.000 0.495 167 P HA -0.150 nan 4.420 nan 0.000 0.216 167 P C 0.156 177.465 177.300 0.015 0.000 1.153 167 P CA 1.280 64.397 63.100 0.028 0.000 0.848 167 P CB 0.264 31.963 31.700 -0.001 0.000 0.787 168 E N 0.850 121.075 120.200 0.042 0.000 2.001 168 E HA 0.505 4.856 4.350 0.001 0.000 0.279 168 E C -0.448 176.193 176.600 0.068 0.000 1.045 168 E CA -0.439 55.983 56.400 0.037 0.000 0.833 168 E CB -0.396 29.320 29.700 0.026 0.000 1.077 168 E HN 0.296 nan 8.360 nan 0.000 0.397 169 G N 3.798 112.643 108.800 0.075 0.000 2.341 169 G HA2 0.105 4.066 3.960 0.001 0.000 0.300 169 G HA3 0.105 4.066 3.960 0.001 0.000 0.300 169 G C -0.163 174.786 174.900 0.082 0.000 1.706 169 G CA -0.844 44.306 45.100 0.084 0.000 0.916 169 G HN 0.251 nan 8.290 nan 0.000 0.716 170 R N 1.175 121.700 120.500 0.042 0.000 2.280 170 R HA 0.060 4.401 4.340 0.001 0.000 0.195 170 R C 2.587 178.868 176.300 -0.031 0.000 0.935 170 R CA 1.076 57.188 56.100 0.021 0.000 1.033 170 R CB -0.682 29.630 30.300 0.020 0.000 0.964 170 R HN 0.805 nan 8.270 nan 0.000 0.489 171 T N -0.819 113.711 114.554 -0.040 0.000 2.822 171 T HA -0.170 4.180 4.350 0.001 0.000 0.270 171 T C 1.897 176.391 174.700 -0.344 0.000 1.064 171 T CA 0.891 62.937 62.100 -0.091 0.000 1.131 171 T CB -0.056 68.819 68.868 0.011 0.000 0.858 171 T HN 0.020 nan 8.240 nan 0.000 0.483 172 R N 1.217 121.395 120.500 -0.536 0.000 2.075 172 R HA 0.061 4.402 4.340 0.001 0.000 0.232 172 R C 2.564 178.631 176.300 -0.389 0.000 1.126 172 R CA 1.090 56.602 56.100 -0.979 0.000 0.963 172 R CB -0.210 29.627 30.300 -0.771 0.000 0.858 172 R HN 0.453 nan 8.270 nan 0.000 0.435 173 R N -0.799 119.611 120.500 -0.150 0.000 2.189 173 R HA 0.051 4.391 4.340 0.001 0.000 0.203 173 R C 2.256 178.587 176.300 0.052 0.000 1.012 173 R CA 0.686 56.781 56.100 -0.008 0.000 1.015 173 R CB -0.117 30.194 30.300 0.019 0.000 0.938 173 R HN 0.112 nan 8.270 nan 0.000 0.472 174 S N 1.021 116.722 115.700 0.000 0.000 2.355 174 S HA -0.049 4.422 4.470 0.001 0.000 0.222 174 S C 1.978 176.593 174.600 0.025 0.000 1.031 174 S CA 0.708 58.920 58.200 0.020 0.000 0.993 174 S CB 0.053 63.256 63.200 0.005 0.000 0.859 174 S HN 0.055 nan 8.310 nan 0.000 0.453 175 I N 1.149 121.717 120.570 -0.003 0.000 2.163 175 I HA -0.079 4.091 4.170 0.001 0.000 0.240 175 I C 2.141 178.276 176.117 0.031 0.000 1.081 175 I CA 1.269 62.569 61.300 -0.000 0.000 1.353 175 I CB -1.727 36.267 38.000 -0.009 0.000 1.054 175 I HN 0.368 nan 8.210 nan 0.000 0.407 176 F N 2.612 122.522 119.950 -0.067 0.000 2.063 176 F HA -0.285 4.242 4.527 0.000 0.000 0.298 176 F C 2.537 178.328 175.800 -0.016 0.000 1.109 176 F CA 1.997 59.975 58.000 -0.037 0.000 1.212 176 F CB -0.226 38.750 39.000 -0.041 0.000 0.973 176 F HN 0.107 nan 8.300 nan 0.000 0.480 177 E N 0.131 120.381 120.200 0.083 0.000 2.204 177 E HA -0.171 4.179 4.350 0.001 0.000 0.194 177 E C 1.865 178.427 176.600 -0.064 0.000 0.989 177 E CA 0.926 57.323 56.400 -0.006 0.000 0.824 177 E CB -0.572 29.192 29.700 0.107 0.000 0.756 177 E HN 0.557 nan 8.360 nan 0.000 0.477 178 N N 0.333 119.020 118.700 -0.021 0.000 2.368 178 N HA 0.025 4.766 4.740 0.001 0.000 0.176 178 N C 2.065 177.593 175.510 0.029 0.000 1.021 178 N CA 0.249 53.336 53.050 0.063 0.000 0.888 178 N CB 0.075 38.620 38.487 0.097 0.000 0.995 178 N HN 0.164 nan 8.380 nan 0.000 0.437 179 L N 0.530 121.686 121.223 -0.112 0.000 2.017 179 L HA -0.034 4.307 4.340 0.001 0.000 0.208 179 L C 1.916 178.578 176.870 -0.347 0.000 1.073 179 L CA 0.888 55.602 54.840 -0.211 0.000 0.745 179 L CB -0.263 41.652 42.059 -0.241 0.000 0.894 179 L HN 0.118 nan 8.230 nan 0.000 0.432 180 M N -0.378 118.983 119.600 -0.399 0.000 2.700 180 M HA -0.130 4.351 4.480 0.001 0.000 0.249 180 M C 1.789 177.995 176.300 -0.158 0.000 1.082 180 M CA 1.234 56.336 55.300 -0.331 0.000 1.077 180 M CB -0.739 31.549 32.600 -0.519 0.000 1.477 180 M HN 0.263 nan 8.290 nan 0.000 0.529 181 K N -1.089 119.190 120.400 -0.201 0.000 2.325 181 K HA 0.016 4.337 4.320 0.001 0.000 0.203 181 K C 1.418 177.823 176.600 -0.326 0.000 1.128 181 K CA 0.350 56.492 56.287 -0.242 0.000 0.931 181 K CB 0.323 32.632 32.500 -0.319 0.000 1.125 181 K HN 0.092 nan 8.250 nan 0.000 0.487 182 Y N 0.338 120.569 120.300 -0.116 0.000 2.420 182 Y HA 0.169 4.720 4.550 0.002 0.000 0.292 182 Y C 2.056 177.870 175.900 -0.144 0.000 1.119 182 Y CA 0.788 58.841 58.100 -0.079 0.000 1.229 182 Y CB 0.210 38.639 38.460 -0.053 0.000 1.026 182 Y HN 0.187 nan 8.280 nan 0.000 0.554 183 A N -0.539 122.130 122.820 -0.251 0.000 2.168 183 A HA 0.014 4.335 4.320 0.001 0.000 0.215 183 A C 0.292 177.570 177.584 -0.510 0.000 1.152 183 A CA 0.758 52.490 52.037 -0.509 0.000 0.716 183 A CB -0.872 17.590 19.000 -0.897 0.000 0.794 183 A HN 0.431 nan 8.150 nan 0.000 0.465 184 F N -1.429 118.531 119.950 0.016 0.000 2.710 184 F HA 0.282 4.809 4.527 0.001 0.000 0.345 184 F C -2.132 173.668 175.800 -0.001 0.000 1.362 184 F CA -1.911 56.098 58.000 0.015 0.000 1.175 184 F CB 1.439 40.433 39.000 -0.010 0.000 1.561 184 F HN 0.010 nan 8.300 nan 0.000 0.593 185 P HA -0.196 nan 4.420 nan 0.000 0.214 185 P C 1.984 179.337 177.300 0.089 0.000 1.162 185 P CA 1.382 64.543 63.100 0.102 0.000 0.879 185 P CB 0.078 31.874 31.700 0.160 0.000 0.786 186 V N -3.078 116.910 119.914 0.122 0.000 2.720 186 V HA -0.135 3.986 4.120 0.001 0.000 0.256 186 V C 1.850 177.978 176.094 0.057 0.000 1.082 186 V CA 2.171 64.520 62.300 0.082 0.000 1.101 186 V CB -1.790 30.095 31.823 0.103 0.000 0.693 186 V HN -0.011 nan 8.190 nan 0.000 0.479 187 S N 1.360 117.103 115.700 0.072 0.000 2.489 187 S HA 0.071 4.542 4.470 0.001 0.000 0.228 187 S C 1.026 175.641 174.600 0.025 0.000 0.995 187 S CA 1.005 59.229 58.200 0.040 0.000 0.934 187 S CB -0.356 62.865 63.200 0.036 0.000 0.771 187 S HN 0.752 nan 8.310 nan 0.000 0.522 188 N N 1.878 120.589 118.700 0.018 0.000 2.401 188 N HA 0.208 4.948 4.740 0.001 0.000 0.264 188 N C -0.186 175.307 175.510 -0.028 0.000 1.238 188 N CA -0.166 52.873 53.050 -0.018 0.000 0.889 188 N CB -0.140 38.313 38.487 -0.056 0.000 1.196 188 N HN 0.026 nan 8.380 nan 0.000 0.511 189 N N 0.725 119.418 118.700 -0.013 0.000 2.686 189 N HA -0.201 4.540 4.740 0.001 0.000 0.249 189 N C -0.981 174.513 175.510 -0.027 0.000 1.082 189 N CA 0.622 53.660 53.050 -0.019 0.000 0.725 189 N CB -0.891 37.582 38.487 -0.022 0.000 1.009 189 N HN 0.434 nan 8.380 nan 0.000 0.545 190 L N 0.486 121.697 121.223 -0.021 0.000 2.360 190 L HA 0.559 4.900 4.340 0.001 0.000 0.271 190 L C -1.749 175.132 176.870 0.019 0.000 1.057 190 L CA -1.689 53.145 54.840 -0.010 0.000 0.803 190 L CB 1.238 43.276 42.059 -0.035 0.000 1.207 190 L HN -0.022 nan 8.230 nan 0.000 0.445 191 P HA 0.229 nan 4.420 nan 0.000 0.284 191 P C -0.742 176.666 177.300 0.181 0.000 1.253 191 P CA -0.477 62.637 63.100 0.023 0.000 0.800 191 P CB 0.905 32.592 31.700 -0.022 0.000 0.961 192 L N 2.951 124.348 121.223 0.291 0.000 2.483 192 L HA 0.058 4.399 4.340 0.001 0.000 0.276 192 L C 1.989 179.096 176.870 0.394 0.000 1.213 192 L CA -0.259 54.803 54.840 0.370 0.000 0.843 192 L CB -0.219 42.068 42.059 0.381 0.000 1.107 192 L HN 0.370 nan 8.230 nan 0.000 0.487 193 F N 2.455 122.526 119.950 0.202 0.000 2.154 193 F HA -0.315 4.213 4.527 0.001 0.000 0.301 193 F C 2.313 178.139 175.800 0.042 0.000 1.087 193 F CA 1.757 59.840 58.000 0.138 0.000 1.274 193 F CB 0.009 39.097 39.000 0.147 0.000 1.009 193 F HN 0.660 nan 8.300 nan 0.000 0.485 194 A N -0.110 122.768 122.820 0.096 0.000 2.009 194 A HA -0.289 4.031 4.320 0.001 0.000 0.222 194 A C 1.919 179.331 177.584 -0.286 0.000 1.175 194 A CA 2.178 54.108 52.037 -0.178 0.000 0.651 194 A CB -1.625 17.168 19.000 -0.344 0.000 0.815 194 A HN 0.495 nan 8.150 nan 0.000 0.459 195 F N -0.612 119.297 119.950 -0.069 0.000 2.780 195 F HA 0.074 4.602 4.527 0.002 0.000 0.299 195 F C 2.202 177.903 175.800 -0.165 0.000 1.146 195 F CA 0.835 58.789 58.000 -0.077 0.000 1.428 195 F CB 0.241 39.214 39.000 -0.046 0.000 1.115 195 F HN 0.198 nan 8.300 nan 0.000 0.583 196 E N -1.096 118.974 120.200 -0.217 0.000 2.290 196 E HA -0.044 4.306 4.350 0.001 0.000 0.197 196 E C -0.012 176.308 176.600 -0.467 0.000 0.948 196 E CA 0.001 56.164 56.400 -0.395 0.000 0.895 196 E CB -0.388 28.951 29.700 -0.602 0.000 0.865 196 E HN 0.253 nan 8.360 nan 0.000 0.486 197 Y N 2.931 122.789 120.300 -0.737 0.000 2.865 197 Y HA -0.140 4.410 4.550 0.001 0.000 0.338 197 Y C 0.909 176.700 175.900 -0.182 0.000 1.269 197 Y CA 0.422 58.299 58.100 -0.372 0.000 1.585 197 Y CB 0.356 38.704 38.460 -0.187 0.000 1.224 197 Y HN -0.285 nan 8.280 nan 0.000 0.554 198 K N 3.661 123.774 120.400 -0.479 0.000 2.387 198 K HA 0.069 4.389 4.320 0.001 0.000 0.203 198 K C -0.072 176.262 176.600 -0.444 0.000 1.030 198 K CA -0.110 55.974 56.287 -0.339 0.000 1.099 198 K CB 0.193 32.557 32.500 -0.226 0.000 0.863 198 K HN 0.640 nan 8.250 nan 0.000 0.529 199 E N 1.354 121.067 120.200 -0.811 0.000 2.360 199 E HA 0.100 4.450 4.350 0.001 0.000 0.269 199 E C -0.368 175.961 176.600 -0.452 0.000 1.022 199 E CA -0.313 55.691 56.400 -0.661 0.000 0.887 199 E CB 0.725 29.936 29.700 -0.814 0.000 0.990 199 E HN -0.007 nan 8.360 nan 0.000 0.426 200 V N 1.375 120.995 119.914 -0.491 0.000 2.850 200 V HA 0.748 4.868 4.120 0.001 0.000 0.315 200 V C -0.539 175.210 176.094 -0.575 0.000 1.064 200 V CA -0.725 61.388 62.300 -0.312 0.000 0.979 200 V CB 1.002 32.738 31.823 -0.145 0.000 1.039 200 V HN 0.571 nan 8.190 nan 0.000 0.452 201 F N 1.095 121.099 119.950 0.091 0.000 2.613 201 F HA 0.679 5.206 4.527 0.001 0.000 0.314 201 F C -1.490 174.360 175.800 0.083 0.000 1.075 201 F CA -1.587 56.478 58.000 0.108 0.000 0.945 201 F CB 1.999 41.085 39.000 0.142 0.000 1.310 201 F HN 0.398 nan 8.300 nan 0.000 0.467 202 P HA 0.029 nan 4.420 nan 0.000 0.233 202 P C -0.733 176.658 177.300 0.153 0.000 1.167 202 P CA 0.964 64.162 63.100 0.164 0.000 0.770 202 P CB 0.569 32.353 31.700 0.140 0.000 0.837 203 E N -0.125 120.183 120.200 0.180 0.000 2.314 203 E HA 0.289 4.640 4.350 0.001 0.000 0.272 203 E C -0.926 175.750 176.600 0.127 0.000 0.884 203 E CA -0.836 55.642 56.400 0.129 0.000 0.753 203 E CB 1.140 30.898 29.700 0.096 0.000 1.213 203 E HN -0.198 nan 8.360 nan 0.000 0.432 204 N N 1.357 120.128 118.700 0.119 0.000 2.437 204 N HA 0.136 4.877 4.740 0.001 0.000 0.243 204 N C 0.817 176.376 175.510 0.082 0.000 1.041 204 N CA -0.050 53.077 53.050 0.128 0.000 0.940 204 N CB 1.229 39.823 38.487 0.178 0.000 1.133 204 N HN 0.728 nan 8.380 nan 0.000 0.506 205 G N 1.928 110.702 108.800 -0.044 0.000 2.462 205 G HA2 -0.245 3.715 3.960 0.001 0.000 0.220 205 G HA3 -0.245 3.715 3.960 0.001 0.000 0.220 205 G C 0.985 175.862 174.900 -0.038 0.000 1.121 205 G CA 0.280 45.331 45.100 -0.082 0.000 0.758 205 G HN 0.727 nan 8.290 nan 0.000 0.559 206 W N 0.611 121.950 121.300 0.064 0.000 2.468 206 W HA 0.122 4.782 4.660 0.001 0.000 0.262 206 W C 2.025 178.592 176.519 0.080 0.000 1.241 206 W CA 0.432 57.813 57.345 0.060 0.000 1.232 206 W CB 0.343 29.818 29.460 0.026 0.000 1.124 206 W HN 0.074 nan 8.180 nan 0.000 0.597 207 K N -0.053 120.507 120.400 0.267 0.000 2.372 207 K HA 0.092 4.413 4.320 0.001 0.000 0.200 207 K C 1.438 178.123 176.600 0.141 0.000 1.022 207 K CA -0.050 56.346 56.287 0.182 0.000 1.125 207 K CB 0.120 32.704 32.500 0.140 0.000 0.855 207 K HN 0.199 nan 8.250 nan 0.000 0.524 208 L N 0.605 121.920 121.223 0.154 0.000 2.005 208 L HA -0.093 4.247 4.340 0.001 0.000 0.207 208 L C 0.696 177.666 176.870 0.166 0.000 1.072 208 L CA 1.552 56.463 54.840 0.119 0.000 0.744 208 L CB -0.291 41.806 42.059 0.063 0.000 0.895 208 L HN 0.121 nan 8.230 nan 0.000 0.433 209 Y N 1.118 121.456 120.300 0.064 0.000 2.404 209 Y HA 0.301 4.852 4.550 0.001 0.000 0.344 209 Y C -0.669 175.264 175.900 0.055 0.000 0.995 209 Y CA -1.610 56.524 58.100 0.057 0.000 1.201 209 Y CB 0.092 38.591 38.460 0.065 0.000 1.151 209 Y HN 0.133 nan 8.280 nan 0.000 0.517 210 D N 9.196 129.385 120.400 -0.352 0.000 2.461 210 D HA 0.290 4.930 4.640 0.001 0.000 0.240 210 D C -2.120 173.803 176.300 -0.630 0.000 1.094 210 D CA -2.358 51.382 54.000 -0.434 0.000 0.868 210 D CB 2.062 42.767 40.800 -0.158 0.000 1.062 210 D HN 0.321 nan 8.370 nan 0.000 0.530 211 P HA -0.181 nan 4.420 nan 0.000 0.217 211 P C 1.891 178.976 177.300 -0.360 0.000 1.162 211 P CA 0.921 63.629 63.100 -0.654 0.000 0.901 211 P CB 0.433 31.936 31.700 -0.328 0.000 0.793 212 L N -1.668 119.478 121.223 -0.127 0.000 2.042 212 L HA -0.187 4.153 4.340 0.001 0.000 0.210 212 L C 2.512 179.381 176.870 -0.002 0.000 1.076 212 L CA 1.466 56.320 54.840 0.024 0.000 0.749 212 L CB -0.805 41.262 42.059 0.014 0.000 0.893 212 L HN -0.013 nan 8.230 nan 0.000 0.432 213 L N -0.880 120.303 121.223 -0.066 0.000 2.093 213 L HA -0.193 4.148 4.340 0.001 0.000 0.208 213 L C 2.551 179.390 176.870 -0.052 0.000 1.085 213 L CA 0.847 55.660 54.840 -0.045 0.000 0.755 213 L CB -0.458 41.576 42.059 -0.043 0.000 0.904 213 L HN 0.235 nan 8.230 nan 0.000 0.435 214 E N 0.203 120.353 120.200 -0.084 0.000 2.051 214 E HA -0.220 4.131 4.350 0.001 0.000 0.192 214 E C 2.103 178.688 176.600 -0.026 0.000 0.991 214 E CA 1.648 58.018 56.400 -0.049 0.000 0.799 214 E CB -0.377 29.360 29.700 0.062 0.000 0.748 214 E HN 0.456 nan 8.360 nan 0.000 0.449 215 Y N 0.258 120.583 120.300 0.042 0.000 2.181 215 Y HA -0.171 4.380 4.550 0.001 0.000 0.288 215 Y C 2.506 178.382 175.900 -0.040 0.000 1.146 215 Y CA 1.243 59.345 58.100 0.004 0.000 1.164 215 Y CB -0.072 38.395 38.460 0.011 0.000 0.982 215 Y HN -0.009 nan 8.280 nan 0.000 0.515 216 R N 0.066 120.633 120.500 0.113 0.000 2.096 216 R HA -0.183 4.158 4.340 0.001 0.000 0.235 216 R C 2.313 178.597 176.300 -0.027 0.000 1.127 216 R CA 1.307 57.426 56.100 0.032 0.000 0.968 216 R CB -0.407 29.901 30.300 0.014 0.000 0.861 216 R HN 0.306 nan 8.270 nan 0.000 0.440 217 R N 1.349 121.811 120.500 -0.064 0.000 2.159 217 R HA -0.168 4.172 4.340 0.001 0.000 0.237 217 R C 1.459 177.673 176.300 -0.144 0.000 1.131 217 R CA 1.543 57.557 56.100 -0.142 0.000 0.982 217 R CB 0.101 30.243 30.300 -0.262 0.000 0.868 217 R HN 0.382 nan 8.270 nan 0.000 0.453 218 Q N -1.706 118.035 119.800 -0.099 0.000 2.384 218 Q HA 0.144 4.484 4.340 0.001 0.000 0.207 218 Q C 0.824 176.735 176.000 -0.148 0.000 0.904 218 Q CA 0.518 56.223 55.803 -0.163 0.000 0.933 218 Q CB 1.160 29.809 28.738 -0.147 0.000 1.077 218 Q HN 0.610 nan 8.270 nan 0.000 0.522 219 G N 0.407 109.161 108.800 -0.077 0.000 2.179 219 G HA2 -0.195 3.765 3.960 0.001 0.000 0.220 219 G HA3 -0.195 3.765 3.960 0.001 0.000 0.220 219 G C 0.378 175.266 174.900 -0.020 0.000 0.990 219 G CA -0.302 44.765 45.100 -0.055 0.000 0.646 219 G HN 0.142 nan 8.290 nan 0.000 0.517 220 I N 1.763 122.326 120.570 -0.012 0.000 3.434 220 I HA 0.153 4.324 4.170 0.001 0.000 0.212 220 I C -1.078 175.054 176.117 0.024 0.000 1.348 220 I CA -1.361 59.939 61.300 -0.000 0.000 0.948 220 I CB -1.266 36.686 38.000 -0.080 0.000 1.607 220 I HN -0.006 nan 8.210 nan 0.000 0.907 221 P HA -0.131 nan 4.420 nan 0.000 0.262 221 P C -0.944 176.384 177.300 0.047 0.000 1.118 221 P CA 0.827 63.951 63.100 0.039 0.000 0.754 221 P CB -0.211 31.506 31.700 0.030 0.000 0.706 222 N N 0.654 119.399 118.700 0.077 0.000 2.446 222 N HA 0.083 4.823 4.740 0.001 0.000 0.272 222 N C 0.562 176.111 175.510 0.066 0.000 1.127 222 N CA -0.880 52.208 53.050 0.064 0.000 0.896 222 N CB 0.596 39.121 38.487 0.064 0.000 1.658 222 N HN 0.306 nan 8.380 nan 0.000 0.483 223 E N 0.376 120.593 120.200 0.028 0.000 2.507 223 E HA -0.325 4.025 4.350 0.001 0.000 0.242 223 E C 0.530 177.107 176.600 -0.038 0.000 1.169 223 E CA 2.538 58.937 56.400 -0.002 0.000 0.972 223 E CB -0.147 29.549 29.700 -0.007 0.000 0.806 223 E HN 0.677 nan 8.360 nan 0.000 0.449 224 S N -1.101 114.579 115.700 -0.033 0.000 2.404 224 S HA -0.007 4.463 4.470 0.001 0.000 0.223 224 S C 0.120 174.508 174.600 -0.354 0.000 1.040 224 S CA 0.441 58.514 58.200 -0.212 0.000 0.957 224 S CB 0.084 63.167 63.200 -0.194 0.000 0.826 224 S HN 0.229 nan 8.310 nan 0.000 0.491 225 W N 2.993 124.266 121.300 -0.045 0.000 2.587 225 W HA 0.567 5.227 4.660 0.001 0.000 0.324 225 W C 0.210 176.693 176.519 -0.059 0.000 1.040 225 W CA -1.040 56.273 57.345 -0.055 0.000 1.222 225 W CB 0.829 30.246 29.460 -0.071 0.000 1.381 225 W HN 0.025 nan 8.180 nan 0.000 0.483 226 R N 1.687 122.288 120.500 0.169 0.000 2.875 226 R HA 0.885 5.226 4.340 0.001 0.000 0.251 226 R C -1.014 175.319 176.300 0.055 0.000 1.123 226 R CA -0.965 55.184 56.100 0.082 0.000 1.064 226 R CB 1.368 31.695 30.300 0.046 0.000 1.205 226 R HN 0.540 nan 8.270 nan 0.000 0.503 227 I N 0.907 121.486 120.570 0.015 0.000 2.362 227 I HA 0.214 4.384 4.170 0.001 0.000 0.289 227 I C -0.078 176.048 176.117 0.015 0.000 0.994 227 I CA -0.702 60.589 61.300 -0.014 0.000 1.158 227 I CB 2.080 40.062 38.000 -0.031 0.000 1.315 227 I HN 0.643 nan 8.210 nan 0.000 0.451 228 T N 4.849 119.418 114.554 0.025 0.000 2.929 228 T HA 0.357 4.708 4.350 0.001 0.000 0.284 228 T C 0.574 175.282 174.700 0.014 0.000 1.014 228 T CA -0.472 61.645 62.100 0.029 0.000 1.051 228 T CB 0.950 69.848 68.868 0.049 0.000 1.028 228 T HN 0.608 nan 8.240 nan 0.000 0.485 229 K N 3.629 124.032 120.400 0.004 0.000 2.399 229 K HA 0.297 4.618 4.320 0.001 0.000 0.204 229 K C 1.664 178.249 176.600 -0.026 0.000 1.023 229 K CA -0.140 56.137 56.287 -0.017 0.000 1.127 229 K CB 0.186 32.676 32.500 -0.017 0.000 0.856 229 K HN 0.589 nan 8.250 nan 0.000 0.514 230 I N 1.339 121.906 120.570 -0.006 0.000 2.399 230 I HA -0.280 3.890 4.170 0.001 0.000 0.254 230 I C 1.151 177.257 176.117 -0.020 0.000 1.146 230 I CA 1.355 62.653 61.300 -0.004 0.000 1.412 230 I CB 0.113 38.123 38.000 0.016 0.000 1.076 230 I HN 0.270 nan 8.210 nan 0.000 0.432 231 N N 0.372 119.047 118.700 -0.042 0.000 2.273 231 N HA -0.001 4.740 4.740 0.001 0.000 0.231 231 N C 1.018 176.357 175.510 -0.285 0.000 1.134 231 N CA -0.085 52.911 53.050 -0.090 0.000 0.856 231 N CB 0.293 38.771 38.487 -0.015 0.000 1.068 231 N HN 0.405 nan 8.380 nan 0.000 0.510 232 E N 0.176 120.237 120.200 -0.232 0.000 2.153 232 E HA -0.054 4.297 4.350 0.001 0.000 0.194 232 E C 1.025 177.378 176.600 -0.412 0.000 0.988 232 E CA 0.837 57.052 56.400 -0.309 0.000 0.811 232 E CB 0.311 29.924 29.700 -0.145 0.000 0.746 232 E HN 0.249 nan 8.360 nan 0.000 0.466 233 R N -0.187 120.174 120.500 -0.232 0.000 2.427 233 R HA 0.058 4.398 4.340 0.001 0.000 0.262 233 R C -0.554 175.805 176.300 0.098 0.000 0.943 233 R CA -0.155 55.914 56.100 -0.052 0.000 1.081 233 R CB 0.306 30.619 30.300 0.022 0.000 1.166 233 R HN 0.245 nan 8.270 nan 0.000 0.534 234 Y N 0.092 120.418 120.300 0.043 0.000 3.234 234 Y HA -0.292 4.259 4.550 0.001 0.000 0.207 234 Y C 0.909 176.833 175.900 0.041 0.000 1.316 234 Y CA 0.475 58.606 58.100 0.052 0.000 1.309 234 Y CB -2.278 36.217 38.460 0.058 0.000 1.408 234 Y HN 0.274 nan 8.280 nan 0.000 0.544 235 E N -0.279 119.983 120.200 0.104 0.000 2.140 235 E HA -0.077 4.273 4.350 0.001 0.000 0.191 235 E C 1.935 178.571 176.600 0.060 0.000 0.973 235 E CA 0.862 57.307 56.400 0.075 0.000 0.829 235 E CB -0.010 29.716 29.700 0.043 0.000 0.781 235 E HN 0.473 nan 8.360 nan 0.000 0.466 236 L N 0.110 121.366 121.223 0.054 0.000 2.027 236 L HA 0.001 4.342 4.340 0.001 0.000 0.206 236 L C 0.545 177.434 176.870 0.032 0.000 1.074 236 L CA 1.213 56.076 54.840 0.038 0.000 0.745 236 L CB 0.437 42.522 42.059 0.042 0.000 0.898 236 L HN 0.150 nan 8.230 nan 0.000 0.433 237 C N 0.121 119.460 119.300 0.066 0.000 2.716 237 C HA 0.375 4.835 4.460 0.001 0.000 0.366 237 C C 0.215 175.290 174.990 0.142 0.000 1.073 237 C CA -0.498 58.539 59.018 0.032 0.000 1.260 237 C CB 0.303 27.977 27.740 -0.109 0.000 1.755 237 C HN 0.659 nan 8.230 nan 0.000 0.475 238 D N 2.161 122.634 120.400 0.122 0.000 2.328 238 D HA 0.040 4.681 4.640 0.001 0.000 0.221 238 D C 1.216 177.594 176.300 0.130 0.000 1.072 238 D CA 0.716 54.812 54.000 0.160 0.000 0.850 238 D CB -0.047 40.809 40.800 0.093 0.000 0.922 238 D HN 0.634 nan 8.370 nan 0.000 0.516 239 T N -4.390 110.268 114.554 0.174 0.000 3.084 239 T HA 0.163 4.514 4.350 0.001 0.000 0.270 239 T C -0.051 174.895 174.700 0.409 0.000 1.008 239 T CA -0.453 61.798 62.100 0.253 0.000 0.900 239 T CB -0.222 68.849 68.868 0.339 0.000 1.084 239 T HN -0.094 nan 8.240 nan 0.000 0.538 240 Y N 2.477 122.873 120.300 0.160 0.000 2.534 240 Y HA 0.598 5.148 4.550 0.001 0.000 0.329 240 Y C -2.373 173.602 175.900 0.124 0.000 1.154 240 Y CA -3.310 54.827 58.100 0.062 0.000 1.192 240 Y CB 1.453 39.931 38.460 0.029 0.000 1.275 240 Y HN -0.032 nan 8.280 nan 0.000 0.491 241 P HA 0.087 nan 4.420 nan 0.000 0.272 241 P C -0.199 177.156 177.300 0.092 0.000 1.240 241 P CA 0.234 63.386 63.100 0.086 0.000 0.791 241 P CB 0.896 32.512 31.700 -0.139 0.000 0.978 242 A N 2.462 125.297 122.820 0.024 0.000 1.908 242 A HA -0.068 4.252 4.320 0.001 0.000 0.218 242 A C 1.308 178.809 177.584 -0.137 0.000 1.181 242 A CA 1.257 53.112 52.037 -0.303 0.000 0.627 242 A CB -0.981 17.857 19.000 -0.271 0.000 0.818 242 A HN 0.524 nan 8.150 nan 0.000 0.445 243 L N 0.112 121.319 121.223 -0.027 0.000 2.325 243 L HA 0.543 4.883 4.340 0.001 0.000 0.279 243 L C -0.828 176.073 176.870 0.050 0.000 1.054 243 L CA -0.372 54.487 54.840 0.032 0.000 0.804 243 L CB 1.442 43.567 42.059 0.111 0.000 1.200 243 L HN 0.207 nan 8.230 nan 0.000 0.436 244 L N 3.445 124.689 121.223 0.035 0.000 2.410 244 L HA 0.514 4.854 4.340 0.001 0.000 0.270 244 L C -0.757 176.110 176.870 -0.006 0.000 0.983 244 L CA -0.807 54.050 54.840 0.028 0.000 0.822 244 L CB 2.501 44.602 42.059 0.070 0.000 1.285 244 L HN 0.231 nan 8.230 nan 0.000 0.409 245 V N 3.968 123.836 119.914 -0.078 0.000 2.383 245 V HA 0.529 4.649 4.120 0.001 0.000 0.275 245 V C 0.079 176.265 176.094 0.154 0.000 1.036 245 V CA -0.448 61.780 62.300 -0.120 0.000 0.889 245 V CB 1.618 33.148 31.823 -0.487 0.000 0.985 245 V HN 0.545 nan 8.190 nan 0.000 0.459 246 V N 3.429 123.524 119.914 0.302 0.000 3.130 246 V HA 0.738 4.858 4.120 0.001 0.000 0.310 246 V C -2.966 173.354 176.094 0.376 0.000 1.158 246 V CA -3.174 59.412 62.300 0.475 0.000 1.029 246 V CB 2.127 34.191 31.823 0.401 0.000 1.057 246 V HN 0.583 nan 8.190 nan 0.000 0.436 247 P HA 0.179 nan 4.420 nan 0.000 0.262 247 P C 0.749 177.933 177.300 -0.194 0.000 1.182 247 P CA 0.833 63.640 63.100 -0.488 0.000 0.761 247 P CB 0.782 32.107 31.700 -0.626 0.000 0.795 248 A N 4.512 127.210 122.820 -0.204 0.000 1.978 248 A HA -0.215 4.105 4.320 0.001 0.000 0.220 248 A C 1.662 179.200 177.584 -0.077 0.000 1.170 248 A CA 1.771 53.754 52.037 -0.090 0.000 0.636 248 A CB -1.067 17.881 19.000 -0.088 0.000 0.810 248 A HN 0.685 nan 8.150 nan 0.000 0.448 249 N N -0.364 118.267 118.700 -0.114 0.000 2.461 249 N HA 0.016 4.757 4.740 0.001 0.000 0.188 249 N C -0.051 175.439 175.510 -0.032 0.000 1.134 249 N CA 0.246 53.251 53.050 -0.074 0.000 0.878 249 N CB -0.054 38.375 38.487 -0.096 0.000 0.972 249 N HN 0.301 nan 8.380 nan 0.000 0.456 250 I N 2.218 122.785 120.570 -0.004 0.000 2.312 250 I HA 0.400 4.571 4.170 0.001 0.000 0.290 250 I C -2.218 173.944 176.117 0.075 0.000 1.008 250 I CA -2.517 58.827 61.300 0.074 0.000 1.226 250 I CB 0.971 39.097 38.000 0.209 0.000 1.371 250 I HN -0.182 nan 8.210 nan 0.000 0.468 251 P HA 0.187 nan 4.420 nan 0.000 0.274 251 P C 0.465 177.790 177.300 0.043 0.000 1.256 251 P CA -0.282 62.840 63.100 0.037 0.000 0.795 251 P CB 1.149 32.862 31.700 0.022 0.000 1.038 252 D N 0.261 120.680 120.400 0.030 0.000 2.178 252 D HA -0.134 4.507 4.640 0.001 0.000 0.202 252 D C 1.529 177.838 176.300 0.014 0.000 0.974 252 D CA 1.052 55.067 54.000 0.026 0.000 0.841 252 D CB -0.063 40.749 40.800 0.020 0.000 0.953 252 D HN 0.539 nan 8.370 nan 0.000 0.478 253 E N 0.854 121.061 120.200 0.011 0.000 2.274 253 E HA -0.172 4.179 4.350 0.001 0.000 0.194 253 E C 1.655 178.255 176.600 -0.000 0.000 0.996 253 E CA 0.653 57.056 56.400 0.004 0.000 0.840 253 E CB -0.104 29.598 29.700 0.003 0.000 0.772 253 E HN 0.213 nan 8.360 nan 0.000 0.491 254 E N 1.390 121.594 120.200 0.006 0.000 2.122 254 E HA 0.017 4.368 4.350 0.001 0.000 0.190 254 E C 2.169 178.748 176.600 -0.036 0.000 0.977 254 E CA 0.390 56.791 56.400 0.001 0.000 0.820 254 E CB -0.182 29.540 29.700 0.036 0.000 0.770 254 E HN 0.245 nan 8.360 nan 0.000 0.462 255 L N 0.271 121.473 121.223 -0.035 0.000 2.131 255 L HA -0.153 4.187 4.340 0.001 0.000 0.210 255 L C 2.358 179.187 176.870 -0.069 0.000 1.092 255 L CA 1.177 55.965 54.840 -0.088 0.000 0.759 255 L CB -0.349 41.694 42.059 -0.027 0.000 0.903 255 L HN 0.085 nan 8.230 nan 0.000 0.435 256 K N 0.165 120.546 120.400 -0.032 0.000 2.002 256 K HA -0.159 4.162 4.320 0.001 0.000 0.209 256 K C 2.283 178.869 176.600 -0.023 0.000 1.048 256 K CA 1.407 57.682 56.287 -0.021 0.000 0.930 256 K CB -0.076 32.419 32.500 -0.008 0.000 0.714 256 K HN 0.203 nan 8.250 nan 0.000 0.438 257 R N 0.376 120.861 120.500 -0.025 0.000 2.080 257 R HA -0.129 4.212 4.340 0.001 0.000 0.236 257 R C 2.279 178.571 176.300 -0.013 0.000 1.137 257 R CA 1.516 57.605 56.100 -0.018 0.000 0.943 257 R CB -0.682 29.603 30.300 -0.025 0.000 0.846 257 R HN 0.002 nan 8.270 nan 0.000 0.431 258 V N 1.118 120.999 119.914 -0.054 0.000 2.469 258 V HA -0.251 3.870 4.120 0.001 0.000 0.251 258 V C 2.331 178.414 176.094 -0.017 0.000 1.064 258 V CA 1.921 64.185 62.300 -0.060 0.000 1.066 258 V CB -0.749 30.915 31.823 -0.265 0.000 0.667 258 V HN 0.462 nan 8.190 nan 0.000 0.461 259 A N -0.775 122.016 122.820 -0.048 0.000 2.067 259 A HA -0.146 4.175 4.320 0.001 0.000 0.219 259 A C 2.406 179.983 177.584 -0.013 0.000 1.158 259 A CA 1.807 53.820 52.037 -0.041 0.000 0.661 259 A CB -0.436 18.538 19.000 -0.043 0.000 0.801 259 A HN 0.500 nan 8.150 nan 0.000 0.452 260 S N -1.711 114.004 115.700 0.024 0.000 2.489 260 S HA 0.034 4.504 4.470 0.001 0.000 0.228 260 S C 1.342 176.005 174.600 0.104 0.000 0.995 260 S CA 0.740 58.967 58.200 0.044 0.000 0.934 260 S CB -0.293 62.936 63.200 0.047 0.000 0.771 260 S HN 0.647 nan 8.310 nan 0.000 0.522 261 F N 2.026 121.945 119.950 -0.052 0.000 2.582 261 F HA 0.319 4.847 4.527 0.001 0.000 0.290 261 F C 0.742 176.510 175.800 -0.053 0.000 1.115 261 F CA 0.109 58.084 58.000 -0.042 0.000 1.445 261 F CB 0.260 39.246 39.000 -0.024 0.000 1.126 261 F HN -0.149 nan 8.300 nan 0.000 0.574 262 R N 1.018 121.469 120.500 -0.082 0.000 2.308 262 R HA 0.141 4.481 4.340 0.001 0.000 0.305 262 R C 0.209 176.385 176.300 -0.207 0.000 1.053 262 R CA -0.276 55.712 56.100 -0.186 0.000 0.957 262 R CB 1.000 31.242 30.300 -0.097 0.000 1.022 262 R HN 0.022 nan 8.270 nan 0.000 0.461 263 S N 2.575 118.123 115.700 -0.253 0.000 2.596 263 S HA -0.060 4.410 4.470 0.001 0.000 0.298 263 S C 0.517 174.970 174.600 -0.246 0.000 1.255 263 S CA 0.321 58.380 58.200 -0.234 0.000 1.083 263 S CB -0.053 62.998 63.200 -0.249 0.000 0.837 263 S HN 0.640 nan 8.310 nan 0.000 0.499 264 R N 2.903 123.288 120.500 -0.192 0.000 3.770 264 R HA -0.187 4.153 4.340 0.001 0.000 0.305 264 R C 1.043 177.224 176.300 -0.197 0.000 1.184 264 R CA 0.602 56.596 56.100 -0.177 0.000 0.823 264 R CB -2.394 27.762 30.300 -0.241 0.000 1.285 264 R HN 1.411 nan 8.270 nan 0.000 0.499 265 G N 0.646 109.341 108.800 -0.176 0.000 2.179 265 G HA2 -0.385 3.576 3.960 0.001 0.000 0.257 265 G HA3 -0.385 3.576 3.960 0.001 0.000 0.257 265 G C 0.136 174.869 174.900 -0.278 0.000 1.010 265 G CA 0.642 45.643 45.100 -0.166 0.000 0.736 265 G HN 0.458 nan 8.290 nan 0.000 0.513 266 R N 0.568 120.845 120.500 -0.371 0.000 3.266 266 R HA 0.355 4.695 4.340 0.001 0.000 0.224 266 R C 1.169 177.407 176.300 -0.103 0.000 1.525 266 R CA -0.154 55.637 56.100 -0.515 0.000 1.364 266 R CB -0.103 29.898 30.300 -0.498 0.000 1.276 266 R HN 0.692 nan 8.270 nan 0.000 0.660 267 I N -0.838 119.734 120.570 0.003 0.000 2.416 267 I HA 0.330 4.500 4.170 0.001 0.000 0.288 267 I C -2.265 174.015 176.117 0.272 0.000 1.051 267 I CA -2.763 58.579 61.300 0.069 0.000 1.375 267 I CB 0.453 38.407 38.000 -0.078 0.000 1.407 267 I HN 0.100 nan 8.210 nan 0.000 0.516 268 P HA -0.058 nan 4.420 nan 0.000 0.263 268 P C -0.559 177.047 177.300 0.510 0.000 1.162 268 P CA 0.174 63.536 63.100 0.436 0.000 0.758 268 P CB 0.344 32.329 31.700 0.475 0.000 0.773 269 V N 0.913 121.074 119.914 0.412 0.000 3.087 269 V HA 0.482 4.603 4.120 0.001 0.000 0.306 269 V C -0.725 175.492 176.094 0.204 0.000 1.187 269 V CA -1.557 60.954 62.300 0.351 0.000 0.999 269 V CB 1.940 33.956 31.823 0.322 0.000 1.049 269 V HN 0.300 nan 8.190 nan 0.000 0.431 270 L N 3.144 124.401 121.223 0.057 0.000 2.462 270 L HA 0.436 4.776 4.340 0.001 0.000 0.272 270 L C 1.101 177.987 176.870 0.027 0.000 1.166 270 L CA 1.240 55.980 54.840 -0.167 0.000 0.880 270 L CB 0.893 42.583 42.059 -0.615 0.000 1.142 270 L HN 0.919 nan 8.230 nan 0.000 0.473 271 S N 3.480 119.190 115.700 0.017 0.000 2.438 271 S HA 0.144 4.614 4.470 0.001 0.000 0.220 271 S C -0.447 174.281 174.600 0.214 0.000 1.045 271 S CA 0.280 58.529 58.200 0.082 0.000 0.940 271 S CB -0.057 63.103 63.200 -0.066 0.000 0.863 271 S HN 0.691 nan 8.310 nan 0.000 0.539 272 W N 0.461 121.730 121.300 -0.052 0.000 3.032 272 W HA 0.708 5.368 4.660 0.001 0.000 0.335 272 W C -1.707 174.774 176.519 -0.063 0.000 1.154 272 W CA -0.771 56.572 57.345 -0.004 0.000 1.204 272 W CB 1.164 30.655 29.460 0.052 0.000 1.416 272 W HN 0.037 nan 8.180 nan 0.000 0.521 273 I N 4.360 124.568 120.570 -0.603 0.000 2.498 273 I HA 0.262 4.433 4.170 0.001 0.000 0.290 273 I C -0.775 174.744 176.117 -0.997 0.000 1.032 273 I CA -0.957 60.004 61.300 -0.564 0.000 1.073 273 I CB 1.328 39.056 38.000 -0.453 0.000 1.251 273 I HN 0.499 nan 8.210 nan 0.000 0.426 274 H N 8.931 127.658 119.070 -0.571 0.000 2.803 274 H HA 0.222 4.778 4.556 0.001 0.000 0.330 274 H C -1.780 173.364 175.328 -0.305 0.000 1.057 274 H CA -0.741 55.026 56.048 -0.469 0.000 1.458 274 H CB 1.147 30.909 29.762 -0.000 0.000 1.470 274 H HN 0.346 nan 8.280 nan 0.000 0.560 275 P HA -0.191 nan 4.420 nan 0.000 0.213 275 P C 0.655 177.961 177.300 0.010 0.000 1.170 275 P CA 1.590 64.573 63.100 -0.194 0.000 0.902 275 P CB 0.414 31.992 31.700 -0.204 0.000 0.789 276 E N -0.005 120.305 120.200 0.183 0.000 2.005 276 E HA -0.095 4.256 4.350 0.001 0.000 0.191 276 E C 2.355 179.040 176.600 0.141 0.000 0.987 276 E CA 1.630 58.133 56.400 0.172 0.000 0.814 276 E CB -0.683 29.147 29.700 0.217 0.000 0.772 276 E HN 0.251 nan 8.360 nan 0.000 0.453 277 S N 0.069 115.869 115.700 0.167 0.000 2.402 277 S HA -0.187 4.284 4.470 0.001 0.000 0.229 277 S C 1.137 175.801 174.600 0.105 0.000 1.021 277 S CA 0.910 59.162 58.200 0.087 0.000 0.974 277 S CB 0.050 63.251 63.200 0.001 0.000 0.800 277 S HN 0.217 nan 8.310 nan 0.000 0.484 278 Q N -0.801 119.079 119.800 0.133 0.000 2.431 278 Q HA -0.130 4.211 4.340 0.001 0.000 0.230 278 Q C 0.239 176.333 176.000 0.158 0.000 0.701 278 Q CA 0.820 56.695 55.803 0.120 0.000 1.290 278 Q CB -2.344 26.466 28.738 0.119 0.000 1.362 278 Q HN 0.886 nan 8.270 nan 0.000 0.762 279 A N 1.337 124.255 122.820 0.163 0.000 2.477 279 A HA 0.452 4.772 4.320 0.001 0.000 0.246 279 A C 0.843 178.552 177.584 0.208 0.000 1.078 279 A CA 1.003 53.150 52.037 0.183 0.000 0.770 279 A CB 0.249 19.345 19.000 0.161 0.000 1.011 279 A HN 0.362 nan 8.150 nan 0.000 0.494 280 T N -0.243 114.441 114.554 0.216 0.000 2.908 280 T HA 0.704 5.054 4.350 0.001 0.000 0.290 280 T C -0.416 174.397 174.700 0.189 0.000 1.034 280 T CA -0.574 61.622 62.100 0.160 0.000 1.010 280 T CB 1.039 69.960 68.868 0.089 0.000 1.068 280 T HN 0.395 nan 8.240 nan 0.000 0.481 281 I N 3.074 123.744 120.570 0.166 0.000 2.354 281 I HA 0.366 4.537 4.170 0.001 0.000 0.286 281 I C 0.563 176.723 176.117 0.071 0.000 1.007 281 I CA -0.648 60.740 61.300 0.146 0.000 1.167 281 I CB 1.496 39.591 38.000 0.158 0.000 1.320 281 I HN 0.928 nan 8.210 nan 0.000 0.458 282 T N 3.665 118.277 114.554 0.097 0.000 2.918 282 T HA 0.748 5.099 4.350 0.001 0.000 0.286 282 T C -0.351 174.407 174.700 0.095 0.000 1.026 282 T CA -0.962 61.197 62.100 0.099 0.000 1.031 282 T CB 2.012 70.991 68.868 0.184 0.000 1.046 282 T HN 0.719 nan 8.240 nan 0.000 0.479 283 R N -0.114 120.443 120.500 0.094 0.000 2.744 283 R HA 0.868 5.209 4.340 0.001 0.000 0.279 283 R C -0.862 175.576 176.300 0.230 0.000 0.977 283 R CA -0.987 55.162 56.100 0.082 0.000 0.906 283 R CB 1.246 31.474 30.300 -0.120 0.000 1.197 283 R HN 1.147 nan 8.270 nan 0.000 0.463 284 C N -0.916 118.518 119.300 0.225 0.000 3.211 284 C HA 0.641 5.101 4.460 0.001 0.000 0.350 284 C C 0.072 175.127 174.990 0.108 0.000 1.413 284 C CA -0.485 58.669 59.018 0.228 0.000 1.203 284 C CB 1.205 29.067 27.740 0.204 0.000 1.506 284 C HN 1.124 nan 8.230 nan 0.000 0.448 285 S N 0.681 116.367 115.700 -0.022 0.000 2.671 285 S HA 0.557 5.028 4.470 0.001 0.000 0.272 285 S C -0.194 174.274 174.600 -0.220 0.000 1.174 285 S CA -0.249 57.872 58.200 -0.131 0.000 1.004 285 S CB 0.394 63.441 63.200 -0.255 0.000 1.077 285 S HN 1.279 nan 8.310 nan 0.000 0.553 286 Q N -0.052 119.593 119.800 -0.259 0.000 2.394 286 Q HA 0.415 4.755 4.340 0.001 0.000 0.248 286 Q C -2.647 173.119 176.000 -0.389 0.000 0.992 286 Q CA -1.784 53.775 55.803 -0.407 0.000 0.888 286 Q CB -0.511 28.120 28.738 -0.179 0.000 1.257 286 Q HN 0.340 nan 8.270 nan 0.000 0.462 287 P HA 0.081 nan 4.420 nan 0.000 0.275 287 P C -0.693 176.182 177.300 -0.708 0.000 1.227 287 P CA -0.128 62.613 63.100 -0.598 0.000 0.781 287 P CB 0.524 32.050 31.700 -0.289 0.000 0.906 288 M N 3.574 122.499 119.600 -1.124 0.000 2.383 288 M HA 0.086 4.567 4.480 0.001 0.000 0.337 288 M C 0.680 176.676 176.300 -0.507 0.000 1.422 288 M CA -0.141 54.759 55.300 -0.666 0.000 1.333 288 M CB -0.162 32.151 32.600 -0.480 0.000 1.488 288 M HN 0.117 nan 8.290 nan 0.000 0.454 289 V N 1.590 121.379 119.914 -0.209 0.000 2.908 289 V HA 0.379 4.499 4.120 0.001 0.000 0.240 289 V C 1.300 177.395 176.094 0.001 0.000 1.117 289 V CA 1.121 63.427 62.300 0.011 0.000 1.133 289 V CB -0.188 31.624 31.823 -0.019 0.000 0.857 289 V HN 1.084 nan 8.190 nan 0.000 0.478 290 G N 0.661 109.432 108.800 -0.048 0.000 2.855 290 G HA2 -0.182 3.779 3.960 0.001 0.000 0.352 290 G HA3 -0.182 3.779 3.960 0.001 0.000 0.352 290 G C 0.648 175.533 174.900 -0.024 0.000 1.415 290 G CA 0.364 45.446 45.100 -0.029 0.000 0.871 290 G HN 1.084 nan 8.290 nan 0.000 0.543 291 V N -2.274 117.632 119.914 -0.013 0.000 2.515 291 V HA 0.031 4.152 4.120 0.001 0.000 0.250 291 V C 2.818 178.910 176.094 -0.003 0.000 1.058 291 V CA 2.855 65.150 62.300 -0.009 0.000 1.064 291 V CB -0.750 31.072 31.823 -0.001 0.000 0.675 291 V HN 2.102 nan 8.190 nan 0.000 0.461 292 S N 0.689 116.390 115.700 0.002 0.000 2.603 292 S HA 0.247 4.718 4.470 0.001 0.000 0.229 292 S C 1.647 176.252 174.600 0.009 0.000 0.972 292 S CA 0.523 58.727 58.200 0.006 0.000 0.935 292 S CB -0.786 62.420 63.200 0.009 0.000 0.769 292 S HN 1.960 nan 8.310 nan 0.000 0.536 293 G N 2.243 111.047 108.800 0.007 0.000 2.338 293 G HA2 -0.298 3.662 3.960 0.001 0.000 0.296 293 G HA3 -0.298 3.662 3.960 0.001 0.000 0.296 293 G C -0.163 174.758 174.900 0.035 0.000 1.040 293 G CA 0.265 45.372 45.100 0.012 0.000 1.004 293 G HN 0.757 nan 8.290 nan 0.000 0.509 294 K N -0.364 120.073 120.400 0.062 0.000 2.219 294 K HA 0.595 4.915 4.320 0.001 0.000 0.258 294 K C 0.786 177.460 176.600 0.124 0.000 1.008 294 K CA -0.051 56.284 56.287 0.079 0.000 0.928 294 K CB 0.777 33.339 32.500 0.103 0.000 0.983 294 K HN 0.714 nan 8.250 nan 0.000 0.484 295 R N -1.167 119.328 120.500 -0.008 0.000 2.764 295 R HA 0.459 4.799 4.340 0.001 0.000 0.270 295 R C -1.459 174.569 176.300 -0.454 0.000 1.014 295 R CA -0.982 54.997 56.100 -0.201 0.000 0.904 295 R CB 1.689 31.893 30.300 -0.159 0.000 1.236 295 R HN 0.762 nan 8.270 nan 0.000 0.466 296 S N -0.190 115.021 115.700 -0.814 0.000 2.536 296 S HA 0.297 4.767 4.470 0.001 0.000 0.287 296 S C 0.092 174.429 174.600 -0.438 0.000 1.101 296 S CA -1.050 56.768 58.200 -0.636 0.000 0.950 296 S CB 2.466 65.158 63.200 -0.847 0.000 1.056 296 S HN 0.864 nan 8.310 nan 0.000 0.481 297 K N 1.057 121.295 120.400 -0.270 0.000 2.103 297 K HA -0.052 4.269 4.320 0.001 0.000 0.204 297 K C 1.327 177.846 176.600 -0.136 0.000 1.052 297 K CA 1.382 57.555 56.287 -0.190 0.000 0.945 297 K CB -0.171 32.251 32.500 -0.131 0.000 0.722 297 K HN 0.746 nan 8.250 nan 0.000 0.443 298 E N 1.162 121.288 120.200 -0.123 0.000 2.033 298 E HA -0.242 4.109 4.350 0.001 0.000 0.199 298 E C 1.771 178.380 176.600 0.015 0.000 1.011 298 E CA 1.763 58.135 56.400 -0.047 0.000 0.815 298 E CB -0.264 29.404 29.700 -0.055 0.000 0.755 298 E HN 0.325 nan 8.360 nan 0.000 0.451 299 D N 0.389 120.769 120.400 -0.034 0.000 2.104 299 D HA -0.217 4.424 4.640 0.001 0.000 0.194 299 D C 1.670 178.088 176.300 0.196 0.000 0.994 299 D CA 1.212 55.289 54.000 0.129 0.000 0.830 299 D CB 0.096 41.000 40.800 0.173 0.000 0.959 299 D HN 0.264 nan 8.370 nan 0.000 0.452 300 E N 0.194 120.371 120.200 -0.039 0.000 2.077 300 E HA -0.155 4.196 4.350 0.001 0.000 0.193 300 E C 2.318 178.928 176.600 0.016 0.000 0.989 300 E CA 0.800 57.116 56.400 -0.140 0.000 0.800 300 E CB 0.087 29.547 29.700 -0.400 0.000 0.746 300 E HN 0.290 nan 8.360 nan 0.000 0.452 301 K N 0.035 120.444 120.400 0.015 0.000 2.155 301 K HA -0.120 4.201 4.320 0.001 0.000 0.203 301 K C 2.070 178.721 176.600 0.085 0.000 1.052 301 K CA 0.675 56.979 56.287 0.029 0.000 0.948 301 K CB -0.178 32.326 32.500 0.008 0.000 0.728 301 K HN 0.153 nan 8.250 nan 0.000 0.448 302 Y N 1.848 122.164 120.300 0.027 0.000 2.145 302 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 302 Y C 2.039 177.986 175.900 0.077 0.000 1.145 302 Y CA 1.181 59.311 58.100 0.050 0.000 1.148 302 Y CB -0.329 38.180 38.460 0.081 0.000 0.981 302 Y HN -0.112 nan 8.280 nan 0.000 0.507 303 L N 0.045 121.390 121.223 0.203 0.000 2.131 303 L HA -0.237 4.104 4.340 0.001 0.000 0.210 303 L C 2.522 179.412 176.870 0.033 0.000 1.092 303 L CA 1.886 56.810 54.840 0.140 0.000 0.759 303 L CB -0.550 41.692 42.059 0.305 0.000 0.903 303 L HN 0.272 nan 8.230 nan 0.000 0.435 304 Q N -0.477 119.340 119.800 0.028 0.000 2.083 304 Q HA -0.117 4.224 4.340 0.001 0.000 0.198 304 Q C 2.200 178.146 176.000 -0.090 0.000 0.969 304 Q CA 1.831 57.623 55.803 -0.018 0.000 0.838 304 Q CB -0.314 28.416 28.738 -0.013 0.000 0.900 304 Q HN 0.446 nan 8.270 nan 0.000 0.436 305 A N 0.286 123.020 122.820 -0.144 0.000 1.978 305 A HA -0.153 4.168 4.320 0.001 0.000 0.220 305 A C 2.103 179.492 177.584 -0.326 0.000 1.170 305 A CA 1.500 53.397 52.037 -0.234 0.000 0.636 305 A CB -0.764 18.071 19.000 -0.274 0.000 0.810 305 A HN 0.492 nan 8.150 nan 0.000 0.448 306 I N -1.244 119.144 120.570 -0.304 0.000 2.179 306 I HA -0.280 3.891 4.170 0.001 0.000 0.242 306 I C 2.707 178.767 176.117 -0.095 0.000 1.088 306 I CA 1.885 63.053 61.300 -0.219 0.000 1.357 306 I CB -0.299 37.684 38.000 -0.028 0.000 1.051 306 I HN 0.431 nan 8.210 nan 0.000 0.409 307 M N 0.546 120.109 119.600 -0.060 0.000 2.213 307 M HA -0.224 4.256 4.480 0.001 0.000 0.263 307 M C 1.422 177.687 176.300 -0.057 0.000 1.062 307 M CA 1.817 57.096 55.300 -0.034 0.000 1.105 307 M CB -0.173 32.405 32.600 -0.038 0.000 1.385 307 M HN 0.155 nan 8.290 nan 0.000 0.417 308 D N -0.287 120.053 120.400 -0.100 0.000 2.264 308 D HA -0.067 4.574 4.640 0.001 0.000 0.208 308 D C 1.904 178.128 176.300 -0.127 0.000 0.966 308 D CA 1.021 54.959 54.000 -0.103 0.000 0.864 308 D CB -0.020 40.710 40.800 -0.117 0.000 0.933 308 D HN 0.330 nan 8.370 nan 0.000 0.499 309 S N -0.015 115.567 115.700 -0.197 0.000 2.453 309 S HA -0.072 4.399 4.470 0.001 0.000 0.231 309 S C 0.921 175.495 174.600 -0.044 0.000 1.005 309 S CA -0.052 58.003 58.200 -0.241 0.000 0.949 309 S CB -0.073 62.755 63.200 -0.619 0.000 0.774 309 S HN 0.282 nan 8.310 nan 0.000 0.510 310 N N 0.871 119.581 118.700 0.017 0.000 2.500 310 N HA 0.367 5.108 4.740 0.001 0.000 0.236 310 N C 0.754 176.278 175.510 0.024 0.000 1.022 310 N CA -0.229 52.856 53.050 0.059 0.000 0.935 310 N CB 0.701 39.245 38.487 0.095 0.000 1.147 310 N HN 0.194 nan 8.380 nan 0.000 0.512 311 A N 3.328 126.160 122.820 0.020 0.000 1.873 311 A HA -0.203 4.118 4.320 0.001 0.000 0.215 311 A C 1.764 179.362 177.584 0.024 0.000 1.186 311 A CA 1.166 53.208 52.037 0.008 0.000 0.616 311 A CB -0.226 18.778 19.000 0.005 0.000 0.823 311 A HN 0.817 nan 8.150 nan 0.000 0.442 312 Q N 0.909 120.732 119.800 0.039 0.000 2.415 312 Q HA 0.179 4.519 4.340 0.001 0.000 0.206 312 Q C 0.468 176.515 176.000 0.078 0.000 0.946 312 Q CA 0.538 56.374 55.803 0.054 0.000 0.951 312 Q CB -0.633 28.137 28.738 0.055 0.000 1.026 312 Q HN 0.517 nan 8.270 nan 0.000 0.510 313 S N 0.616 116.351 115.700 0.058 0.000 2.617 313 S HA 0.276 4.747 4.470 0.001 0.000 0.283 313 S C 0.322 174.940 174.600 0.031 0.000 1.189 313 S CA -0.678 57.543 58.200 0.035 0.000 1.036 313 S CB 0.486 63.675 63.200 -0.019 0.000 1.014 313 S HN 0.507 nan 8.310 nan 0.000 0.522 314 H N 0.200 119.272 119.070 0.004 0.000 2.542 314 H HA 0.565 5.122 4.556 0.001 0.000 0.283 314 H C -0.106 175.185 175.328 -0.061 0.000 1.059 314 H CA -0.586 55.449 56.048 -0.021 0.000 1.162 314 H CB -0.046 29.707 29.762 -0.014 0.000 1.539 314 H HN 0.589 nan 8.280 nan 0.000 0.543 315 K N 0.343 120.503 120.400 -0.400 0.000 2.544 315 K HA 0.550 4.871 4.320 0.001 0.000 0.282 315 K C -1.936 174.466 176.600 -0.331 0.000 1.020 315 K CA -0.846 55.203 56.287 -0.397 0.000 0.830 315 K CB 2.750 34.874 32.500 -0.626 0.000 1.521 315 K HN 0.101 nan 8.250 nan 0.000 0.376 316 I N 1.869 122.201 120.570 -0.396 0.000 2.667 316 I HA 0.344 4.514 4.170 0.001 0.000 0.288 316 I C -1.633 174.269 176.117 -0.359 0.000 1.267 316 I CA -0.574 60.573 61.300 -0.256 0.000 1.055 316 I CB 0.800 38.746 38.000 -0.089 0.000 1.294 316 I HN 0.428 nan 8.210 nan 0.000 0.429 317 F N 7.281 127.168 119.950 -0.105 0.000 2.384 317 F HA 0.497 5.024 4.527 0.001 0.000 0.338 317 F C 0.250 175.873 175.800 -0.296 0.000 1.103 317 F CA -0.345 57.489 58.000 -0.276 0.000 1.157 317 F CB 1.137 39.917 39.000 -0.367 0.000 1.167 317 F HN 0.165 nan 8.300 nan 0.000 0.529 318 I N 4.011 124.421 120.570 -0.268 0.000 2.437 318 I HA 0.230 4.401 4.170 0.001 0.000 0.279 318 I C -1.162 174.724 176.117 -0.386 0.000 1.028 318 I CA -0.419 60.756 61.300 -0.209 0.000 1.142 318 I CB 0.654 38.560 38.000 -0.157 0.000 1.266 318 I HN 0.364 nan 8.210 nan 0.000 0.461 319 F N 4.114 123.999 119.950 -0.109 0.000 2.404 319 F HA 0.240 4.767 4.527 0.001 0.000 0.358 319 F C 0.710 176.269 175.800 -0.402 0.000 1.120 319 F CA -0.418 57.456 58.000 -0.210 0.000 1.144 319 F CB 0.607 39.525 39.000 -0.138 0.000 1.133 319 F HN 0.376 nan 8.300 nan 0.000 0.495 320 D N 3.077 123.244 120.400 -0.388 0.000 2.359 320 D HA 0.312 4.953 4.640 0.001 0.000 0.230 320 D C 0.871 177.043 176.300 -0.213 0.000 1.118 320 D CA -0.032 53.623 54.000 -0.575 0.000 0.844 320 D CB 1.784 42.252 40.800 -0.553 0.000 1.059 320 D HN 0.632 nan 8.370 nan 0.000 0.493 321 A N 5.329 128.050 122.820 -0.165 0.000 1.940 321 A HA -0.159 4.162 4.320 0.001 0.000 0.219 321 A C 1.298 178.890 177.584 0.012 0.000 1.176 321 A CA 0.938 52.948 52.037 -0.046 0.000 0.631 321 A CB -0.120 18.859 19.000 -0.036 0.000 0.814 321 A HN 0.606 nan 8.150 nan 0.000 0.446 322 R N 0.003 120.534 120.500 0.052 0.000 2.694 322 R HA 0.273 4.614 4.340 0.001 0.000 0.268 322 R C -2.599 173.761 176.300 0.099 0.000 1.061 322 R CA -1.576 54.572 56.100 0.080 0.000 1.133 322 R CB -0.242 30.137 30.300 0.131 0.000 1.020 322 R HN 0.173 nan 8.270 nan 0.000 0.475 323 P HA -0.025 nan 4.420 nan 0.000 0.272 323 P C 0.199 177.369 177.300 -0.218 0.000 1.223 323 P CA -0.014 63.020 63.100 -0.110 0.000 0.784 323 P CB 1.093 32.667 31.700 -0.210 0.000 0.923 324 S N 1.955 117.358 115.700 -0.495 0.000 2.365 324 S HA -0.172 4.299 4.470 0.001 0.000 0.225 324 S C 1.816 176.141 174.600 -0.458 0.000 1.039 324 S CA 1.885 59.480 58.200 -1.007 0.000 1.033 324 S CB -0.818 61.777 63.200 -1.008 0.000 0.887 324 S HN 0.305 nan 8.310 nan 0.000 0.447 325 V N 2.211 121.980 119.914 -0.241 0.000 2.490 325 V HA -0.096 4.024 4.120 0.001 0.000 0.250 325 V C 1.977 178.051 176.094 -0.033 0.000 1.061 325 V CA 2.100 64.338 62.300 -0.103 0.000 1.064 325 V CB -0.688 31.102 31.823 -0.055 0.000 0.670 325 V HN 0.547 nan 8.190 nan 0.000 0.461 326 N N 0.180 118.866 118.700 -0.023 0.000 2.333 326 N HA 0.030 4.771 4.740 0.001 0.000 0.178 326 N C 1.871 177.433 175.510 0.086 0.000 1.018 326 N CA 1.279 54.357 53.050 0.047 0.000 0.882 326 N CB -0.091 38.436 38.487 0.067 0.000 0.984 326 N HN 0.547 nan 8.380 nan 0.000 0.434 327 A N 1.073 123.948 122.820 0.092 0.000 1.933 327 A HA -0.073 4.247 4.320 0.001 0.000 0.218 327 A C 2.467 180.239 177.584 0.313 0.000 1.175 327 A CA 1.113 53.304 52.037 0.256 0.000 0.628 327 A CB -0.691 18.528 19.000 0.365 0.000 0.814 327 A HN 0.075 nan 8.150 nan 0.000 0.444 328 V N -0.101 119.951 119.914 0.230 0.000 2.343 328 V HA -0.264 3.857 4.120 0.001 0.000 0.247 328 V C 3.049 179.207 176.094 0.108 0.000 1.051 328 V CA 1.928 64.346 62.300 0.197 0.000 1.036 328 V CB -1.281 30.611 31.823 0.114 0.000 0.654 328 V HN 0.616 nan 8.190 nan 0.000 0.451 329 A N 0.607 123.478 122.820 0.085 0.000 1.940 329 A HA -0.233 4.088 4.320 0.001 0.000 0.219 329 A C 2.064 179.687 177.584 0.066 0.000 1.176 329 A CA 2.027 54.103 52.037 0.065 0.000 0.631 329 A CB -0.642 18.395 19.000 0.063 0.000 0.814 329 A HN 0.623 nan 8.150 nan 0.000 0.446 330 N N -0.047 118.706 118.700 0.087 0.000 2.188 330 N HA -0.159 4.582 4.740 0.001 0.000 0.184 330 N C 1.658 177.191 175.510 0.038 0.000 1.018 330 N CA 1.525 54.617 53.050 0.070 0.000 0.858 330 N CB -0.396 38.147 38.487 0.093 0.000 0.989 330 N HN 0.690 nan 8.380 nan 0.000 0.426 331 K N 1.202 121.628 120.400 0.043 0.000 2.063 331 K HA -0.054 4.267 4.320 0.001 0.000 0.208 331 K C 1.822 178.415 176.600 -0.013 0.000 1.048 331 K CA 1.330 57.606 56.287 -0.019 0.000 0.928 331 K CB -0.081 32.381 32.500 -0.064 0.000 0.713 331 K HN 0.102 nan 8.250 nan 0.000 0.442 332 A N 0.834 123.661 122.820 0.011 0.000 2.070 332 A HA -0.083 4.238 4.320 0.001 0.000 0.220 332 A C 1.340 178.929 177.584 0.007 0.000 1.159 332 A CA 1.200 53.243 52.037 0.010 0.000 0.656 332 A CB -0.037 18.975 19.000 0.020 0.000 0.800 332 A HN 0.165 nan 8.150 nan 0.000 0.453 333 K N -1.438 118.967 120.400 0.008 0.000 2.440 333 K HA 0.292 4.612 4.320 0.001 0.000 0.206 333 K C 0.958 177.553 176.600 -0.008 0.000 1.025 333 K CA 0.645 56.936 56.287 0.006 0.000 1.135 333 K CB 0.449 32.960 32.500 0.018 0.000 0.856 333 K HN 0.637 nan 8.250 nan 0.000 0.502 334 G N 0.090 108.877 108.800 -0.021 0.000 2.253 334 G HA2 -0.220 3.741 3.960 0.001 0.000 0.209 334 G HA3 -0.220 3.741 3.960 0.001 0.000 0.209 334 G C 0.669 175.523 174.900 -0.077 0.000 0.997 334 G CA -0.108 44.967 45.100 -0.041 0.000 0.640 334 G HN 0.491 nan 8.290 nan 0.000 0.496 335 G N -0.367 108.394 108.800 -0.066 0.000 3.086 335 G HA2 0.781 4.741 3.960 0.001 0.000 0.159 335 G HA3 0.781 4.741 3.960 0.001 0.000 0.159 335 G C 0.940 175.777 174.900 -0.104 0.000 1.654 335 G CA 1.340 46.384 45.100 -0.094 0.000 1.078 335 G HN 2.012 nan 8.290 nan 0.000 0.558 336 G N -2.334 106.434 108.800 -0.052 0.000 2.298 336 G HA2 0.484 4.445 3.960 0.001 0.000 0.309 336 G HA3 0.484 4.445 3.960 0.001 0.000 0.309 336 G C -0.939 173.983 174.900 0.038 0.000 1.279 336 G CA 0.006 45.047 45.100 -0.098 0.000 1.042 336 G HN 1.640 nan 8.290 nan 0.000 0.480 337 Y N -1.806 118.545 120.300 0.086 0.000 2.728 337 Y HA 0.835 5.386 4.550 0.001 0.000 0.330 337 Y C -0.464 175.493 175.900 0.094 0.000 1.234 337 Y CA -1.368 56.782 58.100 0.084 0.000 1.070 337 Y CB 0.559 39.143 38.460 0.206 0.000 1.300 337 Y HN 0.523 nan 8.280 nan 0.000 0.467 338 E N 1.316 121.654 120.200 0.230 0.000 2.259 338 E HA 0.405 4.756 4.350 0.001 0.000 0.281 338 E C -0.577 176.208 176.600 0.308 0.000 1.037 338 E CA -0.476 56.008 56.400 0.141 0.000 0.854 338 E CB 1.067 30.426 29.700 -0.568 0.000 1.051 338 E HN 0.656 nan 8.360 nan 0.000 0.409 339 S N 1.868 117.795 115.700 0.378 0.000 2.632 339 S HA 0.169 4.640 4.470 0.001 0.000 0.271 339 S C 0.736 175.489 174.600 0.254 0.000 1.260 339 S CA -0.764 57.613 58.200 0.295 0.000 1.010 339 S CB 1.191 64.515 63.200 0.206 0.000 0.965 339 S HN 0.554 nan 8.310 nan 0.000 0.534 340 E N 0.407 120.714 120.200 0.178 0.000 2.265 340 E HA -0.137 4.214 4.350 0.001 0.000 0.196 340 E C 0.664 177.326 176.600 0.103 0.000 0.996 340 E CA 1.120 57.594 56.400 0.123 0.000 0.832 340 E CB -0.025 29.731 29.700 0.094 0.000 0.756 340 E HN 0.604 nan 8.360 nan 0.000 0.491 341 D N -0.091 120.367 120.400 0.097 0.000 2.269 341 D HA 0.049 4.689 4.640 0.001 0.000 0.220 341 D C 1.916 178.229 176.300 0.021 0.000 0.962 341 D CA 0.944 54.975 54.000 0.051 0.000 0.884 341 D CB -0.079 40.745 40.800 0.040 0.000 1.023 341 D HN 0.115 nan 8.370 nan 0.000 0.484 342 A N 0.191 123.025 122.820 0.023 0.000 1.930 342 A HA -0.133 4.188 4.320 0.001 0.000 0.217 342 A C 0.346 177.755 177.584 -0.293 0.000 1.175 342 A CA 0.950 52.905 52.037 -0.136 0.000 0.627 342 A CB -0.567 18.349 19.000 -0.139 0.000 0.815 342 A HN 0.215 nan 8.150 nan 0.000 0.443 343 Y N -0.156 120.154 120.300 0.017 0.000 2.841 343 Y HA 0.383 4.934 4.550 0.001 0.000 0.329 343 Y C 1.233 177.128 175.900 -0.008 0.000 1.062 343 Y CA -0.579 57.525 58.100 0.007 0.000 1.281 343 Y CB 0.751 39.223 38.460 0.021 0.000 1.147 343 Y HN 0.336 nan 8.280 nan 0.000 0.521 344 Q N 1.973 121.815 119.800 0.069 0.000 2.014 344 Q HA -0.199 4.142 4.340 0.001 0.000 0.207 344 Q C 0.640 176.656 176.000 0.027 0.000 0.993 344 Q CA 2.084 57.907 55.803 0.032 0.000 0.850 344 Q CB 0.021 28.760 28.738 0.002 0.000 0.916 344 Q HN 0.516 nan 8.270 nan 0.000 0.417 345 N N -0.284 118.428 118.700 0.019 0.000 2.327 345 N HA 0.313 5.054 4.740 0.001 0.000 0.231 345 N C -1.290 174.175 175.510 -0.074 0.000 1.130 345 N CA 0.575 53.608 53.050 -0.027 0.000 0.845 345 N CB 0.816 39.285 38.487 -0.030 0.000 1.073 345 N HN 0.245 nan 8.380 nan 0.000 0.496 346 A N 0.228 123.021 122.820 -0.046 0.000 2.355 346 A HA 0.532 4.853 4.320 0.001 0.000 0.324 346 A C -0.457 177.041 177.584 -0.144 0.000 1.117 346 A CA -0.610 51.355 52.037 -0.119 0.000 0.785 346 A CB 1.840 20.804 19.000 -0.061 0.000 1.254 346 A HN 0.156 nan 8.150 nan 0.000 0.453 347 E N 1.698 121.753 120.200 -0.241 0.000 2.186 347 E HA 0.425 4.775 4.350 0.001 0.000 0.255 347 E C -1.626 174.857 176.600 -0.195 0.000 0.881 347 E CA -0.590 55.702 56.400 -0.179 0.000 0.752 347 E CB 1.005 30.595 29.700 -0.183 0.000 1.176 347 E HN 0.609 nan 8.360 nan 0.000 0.421 348 L N 5.245 126.353 121.223 -0.192 0.000 2.290 348 L HA 0.421 4.762 4.340 0.001 0.000 0.284 348 L C -1.435 175.197 176.870 -0.397 0.000 1.078 348 L CA -0.254 54.390 54.840 -0.327 0.000 0.815 348 L CB 1.353 43.227 42.059 -0.308 0.000 1.162 348 L HN 0.265 nan 8.230 nan 0.000 0.435 349 V N 5.478 125.097 119.914 -0.491 0.000 2.628 349 V HA 0.473 4.594 4.120 0.001 0.000 0.306 349 V C -0.438 175.403 176.094 -0.421 0.000 1.045 349 V CA -0.400 61.702 62.300 -0.330 0.000 0.905 349 V CB 1.614 33.341 31.823 -0.160 0.000 0.997 349 V HN 0.572 nan 8.190 nan 0.000 0.436 350 F N 3.742 123.654 119.950 -0.064 0.000 2.420 350 F HA 0.489 5.016 4.527 0.001 0.000 0.342 350 F C 0.878 176.662 175.800 -0.026 0.000 1.113 350 F CA -0.491 57.465 58.000 -0.074 0.000 1.059 350 F CB 1.296 40.222 39.000 -0.123 0.000 1.128 350 F HN 0.255 nan 8.300 nan 0.000 0.475 351 L N 1.858 123.157 121.223 0.128 0.000 2.640 351 L HA 0.147 4.487 4.340 0.001 0.000 0.230 351 L C -0.121 176.765 176.870 0.027 0.000 1.123 351 L CA 0.001 54.883 54.840 0.070 0.000 0.900 351 L CB -0.305 41.775 42.059 0.035 0.000 1.146 351 L HN 0.598 nan 8.230 nan 0.000 0.484 352 D N 0.896 121.303 120.400 0.010 0.000 2.772 352 D HA -0.180 4.461 4.640 0.001 0.000 0.233 352 D C -0.072 176.150 176.300 -0.131 0.000 1.143 352 D CA 0.951 54.898 54.000 -0.089 0.000 0.700 352 D CB -1.347 39.411 40.800 -0.071 0.000 1.076 352 D HN 0.283 nan 8.370 nan 0.000 0.430 353 I N 1.167 121.694 120.570 -0.070 0.000 2.325 353 I HA 0.099 4.270 4.170 0.001 0.000 0.291 353 I C 1.259 177.364 176.117 -0.020 0.000 1.019 353 I CA -0.496 60.795 61.300 -0.014 0.000 1.302 353 I CB 0.835 38.849 38.000 0.024 0.000 1.401 353 I HN -0.055 nan 8.210 nan 0.000 0.485 354 H N 4.593 123.730 119.070 0.112 0.000 2.546 354 H HA 0.161 4.717 4.556 0.001 0.000 0.365 354 H C -0.112 175.243 175.328 0.046 0.000 1.220 354 H CA -0.338 55.764 56.048 0.090 0.000 1.386 354 H CB 0.900 30.745 29.762 0.138 0.000 1.510 354 H HN 0.599 nan 8.280 nan 0.000 0.591 355 N N 0.229 119.058 118.700 0.215 0.000 2.294 355 N HA -0.030 4.710 4.740 0.001 0.000 0.248 355 N C 1.590 177.124 175.510 0.039 0.000 1.300 355 N CA -0.220 52.898 53.050 0.113 0.000 0.925 355 N CB 0.421 38.985 38.487 0.128 0.000 1.188 355 N HN 0.682 nan 8.380 nan 0.000 0.512 356 I N -3.369 117.164 120.570 -0.062 0.000 2.163 356 I HA -0.298 3.873 4.170 0.001 0.000 0.243 356 I C 1.620 177.670 176.117 -0.110 0.000 1.085 356 I CA 1.408 62.642 61.300 -0.110 0.000 1.347 356 I CB -0.672 37.212 38.000 -0.194 0.000 1.044 356 I HN 0.398 nan 8.210 nan 0.000 0.408 357 H N 1.455 120.565 119.070 0.066 0.000 2.353 357 H HA -0.097 4.459 4.556 0.001 0.000 0.298 357 H C 2.675 178.026 175.328 0.039 0.000 1.103 357 H CA 1.989 58.068 56.048 0.051 0.000 1.293 357 H CB -0.790 28.999 29.762 0.045 0.000 1.372 357 H HN 0.369 nan 8.280 nan 0.000 0.501 358 V N 1.573 121.561 119.914 0.124 0.000 2.407 358 V HA -0.237 3.883 4.120 0.001 0.000 0.248 358 V C 2.516 178.595 176.094 -0.025 0.000 1.055 358 V CA 1.446 63.764 62.300 0.031 0.000 1.049 358 V CB -0.367 31.435 31.823 -0.035 0.000 0.662 358 V HN 0.320 nan 8.190 nan 0.000 0.455 359 M N -0.356 119.215 119.600 -0.049 0.000 2.288 359 M HA -0.022 4.458 4.480 0.001 0.000 0.266 359 M C 2.169 178.576 176.300 0.178 0.000 1.072 359 M CA 1.361 56.640 55.300 -0.035 0.000 1.132 359 M CB -1.450 31.125 32.600 -0.041 0.000 1.386 359 M HN 0.272 nan 8.290 nan 0.000 0.432 360 R N 0.985 121.572 120.500 0.144 0.000 2.073 360 R HA -0.191 4.149 4.340 0.001 0.000 0.234 360 R C 2.090 178.488 176.300 0.163 0.000 1.134 360 R CA 1.900 58.097 56.100 0.162 0.000 0.952 360 R CB -0.068 30.312 30.300 0.133 0.000 0.850 360 R HN 0.283 nan 8.270 nan 0.000 0.433 361 E N 0.160 120.449 120.200 0.147 0.000 2.110 361 E HA -0.137 4.214 4.350 0.001 0.000 0.193 361 E C 1.868 178.578 176.600 0.184 0.000 0.988 361 E CA 1.628 58.113 56.400 0.141 0.000 0.804 361 E CB -0.230 29.541 29.700 0.119 0.000 0.745 361 E HN 0.248 nan 8.360 nan 0.000 0.458 362 S N -0.745 115.100 115.700 0.241 0.000 2.356 362 S HA -0.148 4.323 4.470 0.001 0.000 0.223 362 S C 1.862 176.687 174.600 0.375 0.000 1.032 362 S CA 1.272 59.696 58.200 0.374 0.000 1.005 362 S CB -0.419 63.064 63.200 0.472 0.000 0.867 362 S HN 0.354 nan 8.310 nan 0.000 0.449 363 L N 2.058 123.491 121.223 0.351 0.000 2.141 363 L HA 0.097 4.437 4.340 0.001 0.000 0.209 363 L C 2.509 179.390 176.870 0.018 0.000 1.094 363 L CA 1.680 56.518 54.840 -0.002 0.000 0.763 363 L CB -0.640 41.411 42.059 -0.014 0.000 0.908 363 L HN 0.270 nan 8.230 nan 0.000 0.437 364 R N -0.345 120.210 120.500 0.092 0.000 2.081 364 R HA -0.162 4.179 4.340 0.001 0.000 0.235 364 R C 2.187 178.531 176.300 0.075 0.000 1.131 364 R CA 1.521 57.668 56.100 0.078 0.000 0.960 364 R CB -0.084 30.269 30.300 0.089 0.000 0.856 364 R HN 0.377 nan 8.270 nan 0.000 0.436 365 K N 0.300 120.756 120.400 0.094 0.000 2.148 365 K HA -0.148 4.172 4.320 0.001 0.000 0.204 365 K C 2.082 178.721 176.600 0.066 0.000 1.050 365 K CA 0.914 57.252 56.287 0.085 0.000 0.942 365 K CB -0.160 32.402 32.500 0.104 0.000 0.724 365 K HN 0.111 nan 8.250 nan 0.000 0.446 366 L N 2.081 123.327 121.223 0.038 0.000 2.027 366 L HA -0.164 4.176 4.340 0.001 0.000 0.206 366 L C 2.359 179.251 176.870 0.035 0.000 1.074 366 L CA 1.772 56.601 54.840 -0.017 0.000 0.745 366 L CB -0.367 41.559 42.059 -0.222 0.000 0.898 366 L HN 0.016 nan 8.230 nan 0.000 0.433 367 K N -0.495 119.928 120.400 0.039 0.000 2.103 367 K HA -0.284 4.037 4.320 0.001 0.000 0.207 367 K C 2.091 178.775 176.600 0.140 0.000 1.048 367 K CA 1.941 58.288 56.287 0.100 0.000 0.930 367 K CB -0.229 32.318 32.500 0.078 0.000 0.716 367 K HN 0.539 nan 8.250 nan 0.000 0.444 368 E N 0.709 120.972 120.200 0.106 0.000 2.077 368 E HA -0.173 4.177 4.350 0.001 0.000 0.193 368 E C 1.921 178.586 176.600 0.109 0.000 0.989 368 E CA 1.556 58.014 56.400 0.097 0.000 0.800 368 E CB -0.122 29.621 29.700 0.072 0.000 0.746 368 E HN 0.645 nan 8.360 nan 0.000 0.452 369 I N -2.908 117.744 120.570 0.136 0.000 3.860 369 I HA 0.075 4.246 4.170 0.001 0.000 0.319 369 I C 1.647 177.910 176.117 0.242 0.000 1.279 369 I CA 0.023 61.433 61.300 0.183 0.000 1.220 369 I CB 0.648 38.779 38.000 0.218 0.000 1.027 369 I HN -0.110 nan 8.210 nan 0.000 0.428 370 V N 0.036 120.088 119.914 0.231 0.000 2.949 370 V HA 0.113 4.233 4.120 0.001 0.000 0.245 370 V C 0.148 176.393 176.094 0.251 0.000 1.086 370 V CA 0.746 63.185 62.300 0.232 0.000 1.097 370 V CB 0.115 32.080 31.823 0.236 0.000 0.762 370 V HN 0.515 nan 8.190 nan 0.000 0.470 371 Y N 1.452 121.818 120.300 0.109 0.000 2.409 371 Y HA 0.551 5.101 4.550 0.001 0.000 0.343 371 Y C -2.016 173.916 175.900 0.054 0.000 0.973 371 Y CA -2.283 55.889 58.100 0.120 0.000 1.064 371 Y CB 2.434 40.975 38.460 0.136 0.000 1.207 371 Y HN -0.031 nan 8.280 nan 0.000 0.452 372 P HA 0.120 nan 4.420 nan 0.000 0.244 372 P C -0.858 176.360 177.300 -0.136 0.000 1.191 372 P CA 0.627 63.190 63.100 -0.895 0.000 0.829 372 P CB 0.948 31.872 31.700 -1.292 0.000 1.008 373 N N 0.665 119.284 118.700 -0.135 0.000 2.342 373 N HA 0.334 5.075 4.740 0.001 0.000 0.293 373 N C -0.459 175.034 175.510 -0.027 0.000 1.026 373 N CA -0.556 52.471 53.050 -0.038 0.000 0.857 373 N CB 2.214 40.654 38.487 -0.079 0.000 1.256 373 N HN -0.014 nan 8.380 nan 0.000 0.484 374 I N 1.087 121.628 120.570 -0.047 0.000 2.325 374 I HA 0.056 4.226 4.170 0.001 0.000 0.291 374 I C 0.894 176.978 176.117 -0.057 0.000 1.019 374 I CA -0.376 60.869 61.300 -0.092 0.000 1.302 374 I CB 0.873 38.678 38.000 -0.324 0.000 1.401 374 I HN 0.252 nan 8.210 nan 0.000 0.485 375 E N 7.604 127.823 120.200 0.032 0.000 2.129 375 E HA 0.045 4.395 4.350 0.001 0.000 0.283 375 E C 0.596 177.265 176.600 0.115 0.000 1.080 375 E CA 0.016 56.455 56.400 0.066 0.000 0.867 375 E CB 0.853 30.607 29.700 0.090 0.000 1.056 375 E HN 0.544 nan 8.360 nan 0.000 0.404 376 E N 2.516 122.753 120.200 0.063 0.000 2.038 376 E HA -0.149 4.202 4.350 0.001 0.000 0.195 376 E C 1.499 178.187 176.600 0.147 0.000 1.000 376 E CA 1.595 58.037 56.400 0.069 0.000 0.803 376 E CB -0.041 29.671 29.700 0.021 0.000 0.750 376 E HN 0.541 nan 8.360 nan 0.000 0.448 377 T N 0.563 115.190 114.554 0.122 0.000 2.685 377 T HA -0.167 4.183 4.350 0.001 0.000 0.268 377 T C 1.381 176.087 174.700 0.012 0.000 1.034 377 T CA 1.292 63.430 62.100 0.064 0.000 1.149 377 T CB -0.221 68.692 68.868 0.075 0.000 0.860 377 T HN 0.291 nan 8.240 nan 0.000 0.449 378 H N -1.430 117.712 119.070 0.119 0.000 2.542 378 H HA 0.099 4.656 4.556 0.001 0.000 0.283 378 H C 1.538 176.965 175.328 0.164 0.000 1.059 378 H CA -0.505 55.606 56.048 0.105 0.000 1.162 378 H CB 0.008 29.813 29.762 0.072 0.000 1.539 378 H HN 0.527 nan 8.280 nan 0.000 0.543 379 W N 2.007 123.359 121.300 0.086 0.000 2.290 379 W HA -0.294 4.366 4.660 0.001 0.000 0.328 379 W C 1.017 177.561 176.519 0.043 0.000 1.272 379 W CA 1.316 58.695 57.345 0.057 0.000 1.262 379 W CB -0.409 29.074 29.460 0.039 0.000 1.151 379 W HN 0.182 nan 8.180 nan 0.000 0.473 380 L N 1.218 122.380 121.223 -0.101 0.000 1.989 380 L HA -0.297 4.044 4.340 0.001 0.000 0.211 380 L C 2.915 179.658 176.870 -0.212 0.000 1.071 380 L CA 2.134 56.812 54.840 -0.269 0.000 0.749 380 L CB -1.390 40.612 42.059 -0.095 0.000 0.890 380 L HN 0.081 nan 8.230 nan 0.000 0.431 381 S N -0.472 115.178 115.700 -0.084 0.000 2.383 381 S HA -0.127 4.343 4.470 0.001 0.000 0.227 381 S C 1.765 176.323 174.600 -0.070 0.000 1.026 381 S CA 1.050 59.217 58.200 -0.055 0.000 0.981 381 S CB -0.546 62.670 63.200 0.027 0.000 0.818 381 S HN 0.393 nan 8.310 nan 0.000 0.472 382 N N 1.975 120.661 118.700 -0.024 0.000 2.104 382 N HA -0.047 4.694 4.740 0.001 0.000 0.190 382 N C 1.683 177.096 175.510 -0.161 0.000 1.024 382 N CA 1.297 54.327 53.050 -0.033 0.000 0.853 382 N CB -0.799 37.737 38.487 0.083 0.000 1.008 382 N HN 0.360 nan 8.380 nan 0.000 0.424 383 L N 1.881 122.884 121.223 -0.367 0.000 2.012 383 L HA -0.146 4.194 4.340 0.001 0.000 0.210 383 L C 2.316 179.012 176.870 -0.291 0.000 1.073 383 L CA 1.761 56.310 54.840 -0.485 0.000 0.748 383 L CB -0.644 40.865 42.059 -0.916 0.000 0.891 383 L HN 0.210 nan 8.230 nan 0.000 0.431 384 E N -0.864 119.174 120.200 -0.270 0.000 2.085 384 E HA -0.253 4.098 4.350 0.001 0.000 0.194 384 E C 2.169 178.543 176.600 -0.377 0.000 0.994 384 E CA 1.452 57.706 56.400 -0.244 0.000 0.801 384 E CB -0.137 29.454 29.700 -0.181 0.000 0.743 384 E HN 0.726 nan 8.360 nan 0.000 0.453 385 S N -0.182 115.337 115.700 -0.302 0.000 2.419 385 S HA -0.194 4.276 4.470 0.001 0.000 0.235 385 S C 2.128 176.527 174.600 -0.335 0.000 1.019 385 S CA 1.691 59.695 58.200 -0.327 0.000 0.982 385 S CB -0.932 62.194 63.200 -0.123 0.000 0.789 385 S HN 0.457 nan 8.310 nan 0.000 0.490 386 T N -2.111 112.334 114.554 -0.181 0.000 2.951 386 T HA -0.060 4.291 4.350 0.001 0.000 0.268 386 T C 0.724 175.522 174.700 0.163 0.000 1.073 386 T CA 1.089 63.205 62.100 0.028 0.000 1.134 386 T CB -0.833 68.080 68.868 0.076 0.000 0.884 386 T HN 0.602 nan 8.240 nan 0.000 0.479 387 H N -1.629 117.504 119.070 0.106 0.000 2.992 387 H HA -0.148 4.409 4.556 0.001 0.000 0.266 387 H C 0.846 176.294 175.328 0.199 0.000 1.200 387 H CA 1.013 57.094 56.048 0.055 0.000 1.135 387 H CB -2.041 27.725 29.762 0.008 0.000 1.282 387 H HN 0.636 nan 8.280 nan 0.000 0.351 388 W N 1.436 122.822 121.300 0.144 0.000 2.413 388 W HA -0.093 4.568 4.660 0.001 0.000 0.315 388 W C 1.972 178.553 176.519 0.103 0.000 1.186 388 W CA 1.462 58.890 57.345 0.138 0.000 1.326 388 W CB -0.466 28.984 29.460 -0.017 0.000 1.153 388 W HN 0.237 nan 8.180 nan 0.000 0.489 389 L N 0.647 121.929 121.223 0.098 0.000 2.131 389 L HA -0.240 4.101 4.340 0.001 0.000 0.210 389 L C 2.394 179.235 176.870 -0.048 0.000 1.092 389 L CA 1.771 56.621 54.840 0.016 0.000 0.759 389 L CB -0.963 41.128 42.059 0.054 0.000 0.903 389 L HN 0.000 nan 8.230 nan 0.000 0.435 390 E N -0.264 119.904 120.200 -0.053 0.000 2.077 390 E HA -0.224 4.127 4.350 0.001 0.000 0.193 390 E C 2.187 178.696 176.600 -0.151 0.000 0.989 390 E CA 1.429 57.772 56.400 -0.094 0.000 0.800 390 E CB -0.035 29.614 29.700 -0.085 0.000 0.746 390 E HN 0.437 nan 8.360 nan 0.000 0.452 391 H N -0.119 118.885 119.070 -0.109 0.000 2.357 391 H HA -0.062 4.495 4.556 0.001 0.000 0.301 391 H C 2.042 177.247 175.328 -0.205 0.000 1.082 391 H CA 1.449 57.401 56.048 -0.160 0.000 1.342 391 H CB -0.054 29.548 29.762 -0.266 0.000 1.389 391 H HN 0.227 nan 8.280 nan 0.000 0.511 392 I N 1.347 121.805 120.570 -0.187 0.000 2.194 392 I HA -0.283 3.887 4.170 0.001 0.000 0.246 392 I C 2.529 178.616 176.117 -0.051 0.000 1.093 392 I CA 1.210 62.425 61.300 -0.142 0.000 1.355 392 I CB -0.855 37.071 38.000 -0.124 0.000 1.046 392 I HN 0.210 nan 8.210 nan 0.000 0.413 393 K N 1.208 121.583 120.400 -0.042 0.000 2.057 393 K HA -0.164 4.157 4.320 0.001 0.000 0.207 393 K C 2.239 178.829 176.600 -0.018 0.000 1.049 393 K CA 1.232 57.507 56.287 -0.019 0.000 0.931 393 K CB -0.071 32.419 32.500 -0.017 0.000 0.714 393 K HN 0.272 nan 8.250 nan 0.000 0.440 394 L N 0.934 122.145 121.223 -0.021 0.000 2.093 394 L HA -0.178 4.163 4.340 0.001 0.000 0.208 394 L C 2.422 179.288 176.870 -0.005 0.000 1.085 394 L CA 0.495 55.330 54.840 -0.010 0.000 0.755 394 L CB -0.414 41.646 42.059 0.001 0.000 0.904 394 L HN 0.222 nan 8.230 nan 0.000 0.435 395 I N -0.070 120.500 120.570 0.000 0.000 2.202 395 I HA -0.265 3.906 4.170 0.001 0.000 0.242 395 I C 2.535 178.651 176.117 -0.001 0.000 1.091 395 I CA 1.610 62.915 61.300 0.009 0.000 1.368 395 I CB -0.887 37.130 38.000 0.027 0.000 1.058 395 I HN 0.250 nan 8.210 nan 0.000 0.410 396 L N 0.665 121.885 121.223 -0.004 0.000 1.994 396 L HA -0.201 4.140 4.340 0.001 0.000 0.208 396 L C 2.840 179.697 176.870 -0.022 0.000 1.071 396 L CA 1.535 56.370 54.840 -0.009 0.000 0.745 396 L CB -0.638 41.418 42.059 -0.005 0.000 0.892 396 L HN 0.196 nan 8.230 nan 0.000 0.431 397 A N 0.159 122.967 122.820 -0.019 0.000 1.917 397 A HA -0.206 4.114 4.320 0.001 0.000 0.219 397 A C 2.345 179.898 177.584 -0.053 0.000 1.182 397 A CA 2.001 54.024 52.037 -0.023 0.000 0.633 397 A CB -1.371 17.620 19.000 -0.014 0.000 0.819 397 A HN 0.495 nan 8.150 nan 0.000 0.448 398 G N -0.859 107.904 108.800 -0.062 0.000 2.422 398 G HA2 0.037 3.997 3.960 0.001 0.000 0.218 398 G HA3 0.037 3.997 3.960 0.001 0.000 0.218 398 G C 1.705 176.488 174.900 -0.195 0.000 1.146 398 G CA 1.376 46.408 45.100 -0.114 0.000 0.769 398 G HN 0.829 nan 8.290 nan 0.000 0.547 399 A N 0.346 123.087 122.820 -0.133 0.000 1.930 399 A HA 0.151 4.472 4.320 0.001 0.000 0.217 399 A C 2.379 179.861 177.584 -0.170 0.000 1.175 399 A CA 1.162 53.110 52.037 -0.148 0.000 0.627 399 A CB -0.392 18.565 19.000 -0.072 0.000 0.815 399 A HN 0.351 nan 8.150 nan 0.000 0.443 400 L N -1.019 120.136 121.223 -0.112 0.000 2.046 400 L HA -0.183 4.158 4.340 0.001 0.000 0.208 400 L C 2.849 179.677 176.870 -0.071 0.000 1.077 400 L CA 1.404 56.213 54.840 -0.052 0.000 0.747 400 L CB -0.227 41.844 42.059 0.020 0.000 0.896 400 L HN 0.350 nan 8.230 nan 0.000 0.432 401 R N -0.522 119.879 120.500 -0.165 0.000 2.092 401 R HA -0.114 4.226 4.340 0.001 0.000 0.231 401 R C 2.184 178.221 176.300 -0.440 0.000 1.119 401 R CA 1.394 57.358 56.100 -0.228 0.000 0.970 401 R CB -0.269 29.908 30.300 -0.205 0.000 0.864 401 R HN 0.343 nan 8.270 nan 0.000 0.440 402 I N 0.217 120.396 120.570 -0.652 0.000 2.163 402 I HA -0.236 3.935 4.170 0.001 0.000 0.240 402 I C 2.534 178.497 176.117 -0.256 0.000 1.081 402 I CA 1.303 62.201 61.300 -0.670 0.000 1.353 402 I CB -0.436 37.212 38.000 -0.586 0.000 1.054 402 I HN 0.181 nan 8.210 nan 0.000 0.407 403 A N 0.035 122.740 122.820 -0.192 0.000 1.972 403 A HA -0.274 4.046 4.320 0.001 0.000 0.219 403 A C 2.133 179.733 177.584 0.027 0.000 1.169 403 A CA 2.013 53.981 52.037 -0.114 0.000 0.635 403 A CB -0.650 18.215 19.000 -0.225 0.000 0.810 403 A HN 0.512 nan 8.150 nan 0.000 0.446 404 D N -0.348 120.104 120.400 0.086 0.000 2.097 404 D HA -0.170 4.470 4.640 0.001 0.000 0.197 404 D C 1.877 178.206 176.300 0.048 0.000 0.984 404 D CA 1.513 55.613 54.000 0.166 0.000 0.826 404 D CB -0.041 40.825 40.800 0.110 0.000 0.973 404 D HN 0.271 nan 8.370 nan 0.000 0.460 405 K N 0.371 120.752 120.400 -0.032 0.000 2.209 405 K HA -0.059 4.262 4.320 0.001 0.000 0.204 405 K C 1.936 178.570 176.600 0.057 0.000 1.048 405 K CA 0.642 56.892 56.287 -0.062 0.000 0.940 405 K CB -0.222 32.160 32.500 -0.197 0.000 0.729 405 K HN 0.044 nan 8.250 nan 0.000 0.451 406 V N 0.053 120.016 119.914 0.081 0.000 2.331 406 V HA -0.095 4.026 4.120 0.001 0.000 0.242 406 V C 2.152 178.283 176.094 0.062 0.000 1.034 406 V CA 1.654 64.032 62.300 0.132 0.000 1.027 406 V CB -0.398 31.548 31.823 0.205 0.000 0.667 406 V HN 0.358 nan 8.190 nan 0.000 0.457 407 E N 1.125 121.369 120.200 0.073 0.000 1.993 407 E HA -0.170 4.181 4.350 0.001 0.000 0.198 407 E C 2.364 178.970 176.600 0.011 0.000 0.999 407 E CA 2.188 58.612 56.400 0.040 0.000 0.850 407 E CB -0.715 29.115 29.700 0.216 0.000 0.796 407 E HN 0.378 nan 8.360 nan 0.000 0.482 408 S N -0.850 114.883 115.700 0.056 0.000 2.383 408 S HA -0.025 4.446 4.470 0.001 0.000 0.227 408 S C 1.758 176.379 174.600 0.035 0.000 1.026 408 S CA 1.009 59.224 58.200 0.026 0.000 0.981 408 S CB -0.397 62.799 63.200 -0.007 0.000 0.818 408 S HN 0.518 nan 8.310 nan 0.000 0.472 409 G N 0.262 109.091 108.800 0.050 0.000 2.777 409 G HA2 0.083 4.044 3.960 0.001 0.000 0.211 409 G HA3 0.083 4.044 3.960 0.001 0.000 0.211 409 G C 0.147 175.112 174.900 0.108 0.000 1.149 409 G CA -0.226 44.931 45.100 0.094 0.000 0.785 409 G HN 0.328 nan 8.290 nan 0.000 0.536 410 K N 0.429 120.868 120.400 0.065 0.000 3.156 410 K HA -0.142 4.179 4.320 0.001 0.000 0.266 410 K C -0.373 176.290 176.600 0.105 0.000 0.966 410 K CA 0.924 57.247 56.287 0.060 0.000 0.719 410 K CB -2.109 30.423 32.500 0.053 0.000 1.333 410 K HN 0.344 nan 8.250 nan 0.000 0.468 411 T N 0.011 114.657 114.554 0.153 0.000 2.848 411 T HA 0.413 4.764 4.350 0.001 0.000 0.285 411 T C -0.040 174.807 174.700 0.245 0.000 0.995 411 T CA -0.819 61.400 62.100 0.199 0.000 0.970 411 T CB 1.665 70.762 68.868 0.381 0.000 0.976 411 T HN 0.088 nan 8.240 nan 0.000 0.441 412 S N 2.068 117.887 115.700 0.200 0.000 2.572 412 S HA 0.424 4.895 4.470 0.001 0.000 0.279 412 S C 0.269 175.032 174.600 0.271 0.000 1.341 412 S CA -0.747 57.587 58.200 0.223 0.000 1.043 412 S CB 0.389 63.709 63.200 0.200 0.000 0.887 412 S HN 0.695 nan 8.310 nan 0.000 0.516 413 V N 0.614 120.695 119.914 0.279 0.000 2.638 413 V HA 0.677 4.798 4.120 0.001 0.000 0.306 413 V C -0.607 175.640 176.094 0.255 0.000 1.052 413 V CA -0.898 61.602 62.300 0.333 0.000 0.885 413 V CB 1.477 33.594 31.823 0.489 0.000 0.999 413 V HN 0.488 nan 8.190 nan 0.000 0.424 414 V N 5.500 125.545 119.914 0.218 0.000 2.383 414 V HA 0.578 4.699 4.120 0.001 0.000 0.275 414 V C 0.199 176.409 176.094 0.193 0.000 1.036 414 V CA -0.193 62.218 62.300 0.185 0.000 0.889 414 V CB 1.439 33.353 31.823 0.151 0.000 0.985 414 V HN 1.027 nan 8.190 nan 0.000 0.459 415 V N 6.544 126.553 119.914 0.159 0.000 2.495 415 V HA 0.787 4.907 4.120 0.001 0.000 0.298 415 V C -0.567 175.584 176.094 0.095 0.000 1.031 415 V CA -0.043 62.316 62.300 0.098 0.000 0.871 415 V CB 1.430 33.277 31.823 0.040 0.000 0.988 415 V HN 1.094 nan 8.190 nan 0.000 0.432 416 H N 3.304 122.389 119.070 0.025 0.000 2.933 416 H HA 0.836 5.392 4.556 0.001 0.000 0.310 416 H C -1.042 174.284 175.328 -0.003 0.000 1.351 416 H CA -0.120 55.928 56.048 -0.000 0.000 1.137 416 H CB 1.690 31.450 29.762 -0.003 0.000 1.853 416 H HN 0.810 nan 8.280 nan 0.000 0.539 417 S N -0.190 115.663 115.700 0.256 0.000 3.070 417 S HA 0.307 4.777 4.470 0.001 0.000 0.320 417 S C 0.659 175.378 174.600 0.199 0.000 1.215 417 S CA -0.144 58.175 58.200 0.198 0.000 0.956 417 S CB 1.111 64.349 63.200 0.064 0.000 1.337 417 S HN 0.514 nan 8.310 nan 0.000 0.639 418 S N 1.382 117.136 115.700 0.090 0.000 2.363 418 S HA -0.081 4.390 4.470 0.001 0.000 0.218 418 S C 0.909 175.434 174.600 -0.126 0.000 1.035 418 S CA 1.796 60.009 58.200 0.021 0.000 1.043 418 S CB -0.695 62.534 63.200 0.049 0.000 0.986 418 S HN 0.721 nan 8.310 nan 0.000 0.423 419 D N -0.736 119.492 120.400 -0.287 0.000 2.388 419 D HA 0.226 4.867 4.640 0.001 0.000 0.208 419 D C 1.156 177.008 176.300 -0.746 0.000 1.035 419 D CA 0.791 54.352 54.000 -0.732 0.000 0.875 419 D CB 0.289 40.327 40.800 -1.271 0.000 0.984 419 D HN 0.511 nan 8.370 nan 0.000 0.508 420 G N 1.747 110.324 108.800 -0.373 0.000 2.212 420 G HA2 -0.212 3.749 3.960 0.001 0.000 0.255 420 G HA3 -0.212 3.749 3.960 0.001 0.000 0.255 420 G C 0.193 175.095 174.900 0.003 0.000 1.062 420 G CA 0.426 45.446 45.100 -0.133 0.000 0.815 420 G HN 0.299 nan 8.290 nan 0.000 0.497 421 W N -1.343 119.985 121.300 0.047 0.000 1.780 421 W HA 0.491 5.151 4.660 0.001 0.000 0.256 421 W C 0.376 176.956 176.519 0.100 0.000 0.844 421 W CA -0.298 57.083 57.345 0.059 0.000 1.227 421 W CB -0.204 29.298 29.460 0.069 0.000 1.006 421 W HN 0.080 nan 8.180 nan 0.000 0.493 422 D N 0.480 121.150 120.400 0.450 0.000 3.208 422 D HA 0.094 4.734 4.640 0.001 0.000 0.281 422 D C 1.662 178.028 176.300 0.110 0.000 1.328 422 D CA 0.177 54.383 54.000 0.344 0.000 1.102 422 D CB 0.458 41.467 40.800 0.349 0.000 1.267 422 D HN -0.062 nan 8.370 nan 0.000 0.405 423 R N 0.768 121.323 120.500 0.092 0.000 2.093 423 R HA 0.042 4.383 4.340 0.001 0.000 0.224 423 R C 2.227 178.490 176.300 -0.063 0.000 1.101 423 R CA 1.184 57.300 56.100 0.026 0.000 0.979 423 R CB -0.046 30.278 30.300 0.040 0.000 0.877 423 R HN 0.046 nan 8.270 nan 0.000 0.441 424 T N 0.435 114.945 114.554 -0.074 0.000 2.788 424 T HA -0.130 4.221 4.350 0.001 0.000 0.268 424 T C 1.813 176.337 174.700 -0.294 0.000 1.044 424 T CA 1.351 63.370 62.100 -0.135 0.000 1.139 424 T CB -0.181 68.639 68.868 -0.081 0.000 0.867 424 T HN 0.358 nan 8.240 nan 0.000 0.454 425 A N 1.379 123.932 122.820 -0.446 0.000 1.930 425 A HA -0.141 4.179 4.320 0.001 0.000 0.217 425 A C 2.269 179.263 177.584 -0.983 0.000 1.175 425 A CA 1.349 52.803 52.037 -0.971 0.000 0.627 425 A CB -0.551 17.563 19.000 -1.476 0.000 0.815 425 A HN 0.546 nan 8.150 nan 0.000 0.443 426 Q N -0.433 119.061 119.800 -0.510 0.000 2.119 426 Q HA -0.057 4.283 4.340 0.001 0.000 0.201 426 Q C 2.042 178.043 176.000 0.000 0.000 0.972 426 Q CA 1.304 57.105 55.803 -0.003 0.000 0.847 426 Q CB -0.287 28.576 28.738 0.208 0.000 0.903 426 Q HN 0.682 nan 8.270 nan 0.000 0.433 427 L N 0.176 121.333 121.223 -0.109 0.000 2.049 427 L HA -0.130 4.211 4.340 0.001 0.000 0.203 427 L C 2.840 179.622 176.870 -0.148 0.000 1.074 427 L CA 1.606 56.382 54.840 -0.107 0.000 0.749 427 L CB -1.136 40.846 42.059 -0.129 0.000 0.907 427 L HN 0.361 nan 8.230 nan 0.000 0.439 428 T N -3.201 111.222 114.554 -0.218 0.000 2.684 428 T HA -0.175 4.176 4.350 0.001 0.000 0.267 428 T C 2.040 176.604 174.700 -0.226 0.000 1.036 428 T CA 1.651 63.611 62.100 -0.234 0.000 1.148 428 T CB -0.571 68.111 68.868 -0.310 0.000 0.863 428 T HN 0.178 nan 8.240 nan 0.000 0.436 429 S N 1.925 117.476 115.700 -0.248 0.000 2.353 429 S HA 0.022 4.493 4.470 0.001 0.000 0.222 429 S C 2.039 176.696 174.600 0.095 0.000 1.035 429 S CA 1.557 59.675 58.200 -0.136 0.000 1.025 429 S CB -0.638 62.421 63.200 -0.235 0.000 0.902 429 S HN 0.455 nan 8.310 nan 0.000 0.440 430 L N 0.977 122.314 121.223 0.190 0.000 2.056 430 L HA -0.075 4.265 4.340 0.001 0.000 0.207 430 L C 2.831 179.700 176.870 -0.001 0.000 1.078 430 L CA 1.086 56.042 54.840 0.195 0.000 0.749 430 L CB -0.795 41.371 42.059 0.178 0.000 0.901 430 L HN 0.319 nan 8.230 nan 0.000 0.433 431 A N -0.037 122.726 122.820 -0.095 0.000 1.877 431 A HA -0.260 4.061 4.320 0.001 0.000 0.216 431 A C 2.334 179.758 177.584 -0.267 0.000 1.186 431 A CA 1.840 53.764 52.037 -0.188 0.000 0.620 431 A CB -0.545 18.334 19.000 -0.201 0.000 0.822 431 A HN 0.306 nan 8.150 nan 0.000 0.443 432 M N -0.795 118.634 119.600 -0.285 0.000 2.082 432 M HA -0.183 4.298 4.480 0.001 0.000 0.258 432 M C 2.118 178.314 176.300 -0.174 0.000 1.069 432 M CA 1.628 56.684 55.300 -0.406 0.000 1.102 432 M CB -0.441 31.928 32.600 -0.386 0.000 1.336 432 M HN 0.426 nan 8.290 nan 0.000 0.404 433 L N -0.704 120.516 121.223 -0.005 0.000 2.131 433 L HA -0.240 4.100 4.340 0.001 0.000 0.210 433 L C 2.444 179.287 176.870 -0.046 0.000 1.092 433 L CA 1.155 56.072 54.840 0.127 0.000 0.759 433 L CB -0.382 41.843 42.059 0.277 0.000 0.903 433 L HN 0.414 nan 8.230 nan 0.000 0.435 434 M N -1.107 118.398 119.600 -0.158 0.000 2.200 434 M HA -0.171 4.310 4.480 0.001 0.000 0.265 434 M C 2.088 178.197 176.300 -0.318 0.000 1.066 434 M CA 1.587 56.709 55.300 -0.296 0.000 1.127 434 M CB -0.156 32.219 32.600 -0.375 0.000 1.379 434 M HN 0.252 nan 8.290 nan 0.000 0.420 435 L N -1.260 119.758 121.223 -0.341 0.000 2.168 435 L HA 0.058 4.399 4.340 0.001 0.000 0.203 435 L C 0.686 177.412 176.870 -0.239 0.000 1.078 435 L CA 0.363 54.993 54.840 -0.350 0.000 0.780 435 L CB -0.084 41.541 42.059 -0.723 0.000 0.939 435 L HN 0.127 nan 8.230 nan 0.000 0.451 436 D N -0.080 120.179 120.400 -0.235 0.000 2.425 436 D HA 0.210 4.850 4.640 0.001 0.000 0.240 436 D C 0.888 177.184 176.300 -0.006 0.000 1.080 436 D CA -0.239 53.757 54.000 -0.006 0.000 0.836 436 D CB 2.136 43.011 40.800 0.125 0.000 1.125 436 D HN 0.068 nan 8.370 nan 0.000 0.525 437 G N 2.719 111.516 108.800 -0.004 0.000 2.498 437 G HA2 -0.313 3.648 3.960 0.001 0.000 0.219 437 G HA3 -0.313 3.648 3.960 0.001 0.000 0.219 437 G C 1.153 176.054 174.900 0.002 0.000 1.119 437 G CA 0.552 45.639 45.100 -0.022 0.000 0.766 437 G HN 0.611 nan 8.290 nan 0.000 0.552 438 Y N 1.022 121.225 120.300 -0.161 0.000 2.128 438 Y HA -0.195 4.356 4.550 0.001 0.000 0.284 438 Y C 2.153 177.969 175.900 -0.140 0.000 1.154 438 Y CA 1.319 59.291 58.100 -0.214 0.000 1.149 438 Y CB -0.399 37.831 38.460 -0.382 0.000 0.976 438 Y HN 0.340 nan 8.280 nan 0.000 0.505 439 Y N 0.031 120.300 120.300 -0.052 0.000 2.632 439 Y HA 0.016 4.566 4.550 0.001 0.000 0.301 439 Y C 1.912 177.891 175.900 0.132 0.000 1.172 439 Y CA 0.320 58.388 58.100 -0.054 0.000 1.328 439 Y CB -0.153 38.367 38.460 0.099 0.000 1.016 439 Y HN 0.049 nan 8.280 nan 0.000 0.529 440 R N 0.014 120.606 120.500 0.154 0.000 2.334 440 R HA 0.057 4.398 4.340 0.001 0.000 0.216 440 R C 0.778 177.111 176.300 0.056 0.000 0.905 440 R CA 0.451 56.668 56.100 0.195 0.000 1.064 440 R CB 0.053 30.223 30.300 -0.216 0.000 1.046 440 R HN 0.187 nan 8.270 nan 0.000 0.508 441 T N -2.345 112.176 114.554 -0.056 0.000 2.918 441 T HA 0.301 4.651 4.350 0.001 0.000 0.283 441 T C 1.583 176.217 174.700 -0.111 0.000 1.001 441 T CA -0.703 61.299 62.100 -0.164 0.000 1.041 441 T CB 1.424 70.195 68.868 -0.161 0.000 1.028 441 T HN -0.141 nan 8.240 nan 0.000 0.511 442 I N 0.618 121.074 120.570 -0.190 0.000 2.091 442 I HA -0.206 3.965 4.170 0.001 0.000 0.239 442 I C 3.097 179.085 176.117 -0.214 0.000 1.061 442 I CA 1.538 62.660 61.300 -0.295 0.000 1.317 442 I CB -0.370 37.431 38.000 -0.332 0.000 1.031 442 I HN 0.683 nan 8.210 nan 0.000 0.401 443 R N 0.556 120.943 120.500 -0.188 0.000 2.148 443 R HA -0.087 4.253 4.340 0.001 0.000 0.227 443 R C 2.390 178.536 176.300 -0.256 0.000 1.103 443 R CA 1.176 57.161 56.100 -0.191 0.000 0.983 443 R CB -0.540 29.705 30.300 -0.092 0.000 0.874 443 R HN 0.507 nan 8.270 nan 0.000 0.451 444 G N 0.365 108.934 108.800 -0.384 0.000 2.404 444 G HA2 -0.292 3.669 3.960 0.001 0.000 0.215 444 G HA3 -0.292 3.669 3.960 0.001 0.000 0.215 444 G C 1.176 175.982 174.900 -0.157 0.000 1.174 444 G CA 0.295 44.981 45.100 -0.690 0.000 0.780 444 G HN 0.254 nan 8.290 nan 0.000 0.537 445 F N 1.713 121.548 119.950 -0.192 0.000 2.134 445 F HA -0.010 4.517 4.527 0.001 0.000 0.299 445 F C 2.672 178.323 175.800 -0.249 0.000 1.097 445 F CA 1.877 59.806 58.000 -0.118 0.000 1.264 445 F CB -0.121 38.772 39.000 -0.179 0.000 1.001 445 F HN 0.267 nan 8.300 nan 0.000 0.479 446 E N -0.486 119.447 120.200 -0.445 0.000 2.110 446 E HA -0.178 4.173 4.350 0.001 0.000 0.193 446 E C 2.297 178.526 176.600 -0.617 0.000 0.988 446 E CA 1.520 57.317 56.400 -1.005 0.000 0.804 446 E CB -0.336 28.464 29.700 -1.500 0.000 0.745 446 E HN 0.275 nan 8.360 nan 0.000 0.458 447 V N 1.262 120.976 119.914 -0.334 0.000 2.343 447 V HA -0.241 3.880 4.120 0.001 0.000 0.247 447 V C 2.269 178.215 176.094 -0.246 0.000 1.051 447 V CA 1.335 63.543 62.300 -0.154 0.000 1.036 447 V CB -0.393 31.526 31.823 0.159 0.000 0.654 447 V HN 0.223 nan 8.190 nan 0.000 0.451 448 L N 0.044 121.137 121.223 -0.216 0.000 2.012 448 L HA -0.155 4.186 4.340 0.001 0.000 0.210 448 L C 2.373 179.088 176.870 -0.259 0.000 1.073 448 L CA 1.946 56.580 54.840 -0.342 0.000 0.748 448 L CB -0.469 41.371 42.059 -0.364 0.000 0.891 448 L HN 0.143 nan 8.230 nan 0.000 0.431 449 V N -0.445 119.271 119.914 -0.331 0.000 2.343 449 V HA -0.227 3.893 4.120 0.001 0.000 0.247 449 V C 2.552 178.666 176.094 0.033 0.000 1.051 449 V CA 1.769 64.010 62.300 -0.098 0.000 1.036 449 V CB -0.704 31.051 31.823 -0.114 0.000 0.654 449 V HN 0.463 nan 8.190 nan 0.000 0.451 450 E N -0.063 120.068 120.200 -0.115 0.000 2.204 450 E HA -0.190 4.161 4.350 0.001 0.000 0.194 450 E C 2.130 178.559 176.600 -0.285 0.000 0.989 450 E CA 1.006 57.338 56.400 -0.114 0.000 0.824 450 E CB 0.030 29.668 29.700 -0.103 0.000 0.756 450 E HN 0.614 nan 8.360 nan 0.000 0.477 451 K N 0.467 120.600 120.400 -0.444 0.000 2.121 451 K HA -0.064 4.256 4.320 0.001 0.000 0.203 451 K C 1.853 178.487 176.600 0.058 0.000 1.041 451 K CA 0.531 56.554 56.287 -0.440 0.000 0.969 451 K CB 0.317 32.515 32.500 -0.502 0.000 0.799 451 K HN -0.182 nan 8.250 nan 0.000 0.456 452 E N -0.002 120.177 120.200 -0.036 0.000 2.028 452 E HA -0.140 4.211 4.350 0.001 0.000 0.190 452 E C 1.823 178.403 176.600 -0.033 0.000 0.984 452 E CA 1.276 57.567 56.400 -0.181 0.000 0.800 452 E CB -0.247 29.174 29.700 -0.465 0.000 0.758 452 E HN 0.419 nan 8.360 nan 0.000 0.448 453 W N 0.519 121.859 121.300 0.067 0.000 2.678 453 W HA 0.232 4.892 4.660 0.001 0.000 0.282 453 W C 2.291 179.038 176.519 0.380 0.000 1.137 453 W CA -0.109 57.358 57.345 0.205 0.000 1.515 453 W CB -0.771 28.803 29.460 0.191 0.000 1.101 453 W HN -0.068 nan 8.180 nan 0.000 0.564 454 L N 0.216 121.743 121.223 0.507 0.000 1.993 454 L HA -0.193 4.148 4.340 0.001 0.000 0.206 454 L C 2.722 179.784 176.870 0.320 0.000 1.074 454 L CA 1.856 56.916 54.840 0.366 0.000 0.746 454 L CB -1.550 40.619 42.059 0.184 0.000 0.896 454 L HN 0.044 nan 8.230 nan 0.000 0.435 455 S N -0.036 115.826 115.700 0.270 0.000 2.383 455 S HA -0.202 4.268 4.470 0.001 0.000 0.229 455 S C 1.741 176.452 174.600 0.185 0.000 1.030 455 S CA 1.279 59.617 58.200 0.231 0.000 1.002 455 S CB -0.550 62.796 63.200 0.243 0.000 0.829 455 S HN 0.316 nan 8.310 nan 0.000 0.467 456 F N 1.841 121.890 119.950 0.166 0.000 2.773 456 F HA 0.365 4.893 4.527 0.001 0.000 0.304 456 F C 1.716 177.716 175.800 0.333 0.000 1.129 456 F CA 0.412 58.511 58.000 0.165 0.000 1.378 456 F CB 0.210 39.227 39.000 0.029 0.000 1.095 456 F HN 0.464 nan 8.300 nan 0.000 0.565 457 G N 0.373 109.441 108.800 0.448 0.000 2.164 457 G HA2 -0.321 3.640 3.960 0.001 0.000 0.212 457 G HA3 -0.321 3.640 3.960 0.001 0.000 0.212 457 G C -0.078 175.027 174.900 0.342 0.000 1.031 457 G CA -0.229 45.113 45.100 0.403 0.000 0.730 457 G HN 0.514 nan 8.290 nan 0.000 0.501 458 H N 0.973 120.209 119.070 0.278 0.000 2.803 458 H HA 0.493 5.050 4.556 0.001 0.000 0.330 458 H C 1.184 176.513 175.328 0.002 0.000 1.057 458 H CA -0.126 55.975 56.048 0.087 0.000 1.458 458 H CB 0.517 30.321 29.762 0.070 0.000 1.470 458 H HN 0.253 nan 8.280 nan 0.000 0.560 459 R N 6.061 126.081 120.500 -0.800 0.000 2.893 459 R HA -0.001 4.340 4.340 0.001 0.000 0.243 459 R C 0.241 176.388 176.300 -0.255 0.000 1.481 459 R CA -0.000 55.818 56.100 -0.471 0.000 1.250 459 R CB -0.359 29.546 30.300 -0.660 0.000 1.213 459 R HN 0.681 nan 8.270 nan 0.000 0.609 460 F N 1.387 121.404 119.950 0.112 0.000 2.084 460 F HA -0.257 4.271 4.527 0.001 0.000 0.296 460 F C 2.793 178.665 175.800 0.120 0.000 1.111 460 F CA 1.749 59.881 58.000 0.219 0.000 1.224 460 F CB -0.079 39.094 39.000 0.288 0.000 0.991 460 F HN 0.335 nan 8.300 nan 0.000 0.471 461 Q N 0.708 120.718 119.800 0.351 0.000 2.030 461 Q HA -0.233 4.107 4.340 0.001 0.000 0.204 461 Q C 2.024 178.064 176.000 0.067 0.000 0.986 461 Q CA 1.952 57.918 55.803 0.271 0.000 0.843 461 Q CB -0.828 28.074 28.738 0.273 0.000 0.904 461 Q HN 0.411 nan 8.270 nan 0.000 0.420 462 L N 0.051 121.278 121.223 0.007 0.000 2.093 462 L HA -0.078 4.263 4.340 0.001 0.000 0.208 462 L C 2.147 178.973 176.870 -0.072 0.000 1.085 462 L CA 1.708 56.512 54.840 -0.060 0.000 0.755 462 L CB -0.321 41.656 42.059 -0.138 0.000 0.904 462 L HN 0.153 nan 8.230 nan 0.000 0.435 463 R N -1.225 119.224 120.500 -0.085 0.000 2.153 463 R HA 0.057 4.398 4.340 0.001 0.000 0.218 463 R C 1.991 178.301 176.300 0.016 0.000 1.072 463 R CA 1.244 57.320 56.100 -0.040 0.000 0.990 463 R CB -0.432 29.863 30.300 -0.009 0.000 0.889 463 R HN 0.337 nan 8.270 nan 0.000 0.452 464 V N -0.997 118.910 119.914 -0.012 0.000 2.922 464 V HA 0.181 4.302 4.120 0.001 0.000 0.242 464 V C 1.018 177.049 176.094 -0.106 0.000 1.094 464 V CA 0.912 63.195 62.300 -0.028 0.000 1.106 464 V CB -0.110 31.637 31.823 -0.126 0.000 0.799 464 V HN 0.514 nan 8.190 nan 0.000 0.474 465 G N 1.440 110.158 108.800 -0.136 0.000 2.341 465 G HA2 -0.204 3.756 3.960 0.001 0.000 0.278 465 G HA3 -0.204 3.756 3.960 0.001 0.000 0.278 465 G C -0.128 174.778 174.900 0.010 0.000 1.111 465 G CA -0.266 44.805 45.100 -0.049 0.000 0.982 465 G HN 0.548 nan 8.290 nan 0.000 0.502 466 H N -0.096 119.076 119.070 0.170 0.000 3.004 466 H HA 0.331 4.888 4.556 0.001 0.000 0.316 466 H C 1.606 177.051 175.328 0.195 0.000 1.014 466 H CA 1.298 57.468 56.048 0.203 0.000 1.454 466 H CB 0.780 30.672 29.762 0.216 0.000 1.472 466 H HN 1.420 nan 8.280 nan 0.000 0.571 467 G N 3.647 112.667 108.800 0.365 0.000 2.356 467 G HA2 -0.253 3.708 3.960 0.001 0.000 0.296 467 G HA3 -0.253 3.708 3.960 0.001 0.000 0.296 467 G C -0.113 174.958 174.900 0.286 0.000 1.022 467 G CA 0.620 45.946 45.100 0.375 0.000 0.961 467 G HN 0.723 nan 8.290 nan 0.000 0.510 468 D N -0.311 120.174 120.400 0.141 0.000 2.492 468 D HA 0.278 4.919 4.640 0.001 0.000 0.248 468 D C 1.577 177.585 176.300 -0.487 0.000 1.101 468 D CA -0.591 53.361 54.000 -0.081 0.000 0.840 468 D CB 0.799 41.574 40.800 -0.040 0.000 1.209 468 D HN 0.371 nan 8.370 nan 0.000 0.524 469 K N 2.122 122.137 120.400 -0.642 0.000 2.442 469 K HA -0.108 4.212 4.320 0.001 0.000 0.198 469 K C 0.709 177.052 176.600 -0.429 0.000 1.044 469 K CA 0.394 56.116 56.287 -0.942 0.000 0.948 469 K CB 0.101 32.340 32.500 -0.436 0.000 0.762 469 K HN -0.012 nan 8.250 nan 0.000 0.472 470 N N 2.602 121.135 118.700 -0.279 0.000 3.254 470 N HA -0.063 4.677 4.740 0.001 0.000 0.308 470 N C 0.818 176.207 175.510 -0.201 0.000 1.281 470 N CA -0.175 52.760 53.050 -0.193 0.000 1.212 470 N CB -0.276 38.127 38.487 -0.140 0.000 1.478 470 N HN 0.416 nan 8.380 nan 0.000 0.548 471 H N -0.595 118.369 119.070 -0.177 0.000 2.457 471 H HA -0.079 4.478 4.556 0.001 0.000 0.297 471 H C 1.100 176.394 175.328 -0.057 0.000 1.092 471 H CA 1.389 57.366 56.048 -0.118 0.000 1.309 471 H CB -0.179 29.526 29.762 -0.094 0.000 1.382 471 H HN 0.342 nan 8.280 nan 0.000 0.535 472 A N 1.169 123.623 122.820 -0.610 0.000 2.123 472 A HA -0.071 4.249 4.320 0.001 0.000 0.214 472 A C 0.820 178.312 177.584 -0.154 0.000 1.152 472 A CA 0.269 52.099 52.037 -0.344 0.000 0.728 472 A CB -0.240 18.512 19.000 -0.414 0.000 0.814 472 A HN 0.401 nan 8.150 nan 0.000 0.464 473 D N 0.550 120.867 120.400 -0.139 0.000 3.046 473 D HA -0.017 4.624 4.640 0.001 0.000 0.213 473 D C 0.972 177.268 176.300 -0.006 0.000 1.074 473 D CA 0.904 54.867 54.000 -0.062 0.000 0.785 473 D CB 0.471 41.239 40.800 -0.054 0.000 1.160 473 D HN 0.249 nan 8.370 nan 0.000 0.524 474 A N 3.852 126.694 122.820 0.036 0.000 2.337 474 A HA -0.003 4.318 4.320 0.001 0.000 0.227 474 A C 1.291 178.965 177.584 0.150 0.000 1.259 474 A CA -0.073 52.042 52.037 0.130 0.000 0.870 474 A CB 0.280 19.368 19.000 0.146 0.000 0.927 474 A HN 0.495 nan 8.150 nan 0.000 0.497 475 D N 0.150 120.585 120.400 0.059 0.000 2.349 475 D HA 0.028 4.668 4.640 0.001 0.000 0.215 475 D C 0.408 176.696 176.300 -0.020 0.000 1.016 475 D CA 0.334 54.338 54.000 0.008 0.000 0.870 475 D CB 0.175 40.966 40.800 -0.014 0.000 0.917 475 D HN 0.412 nan 8.370 nan 0.000 0.524 476 R N 0.564 121.071 120.500 0.012 0.000 2.308 476 R HA 0.425 4.766 4.340 0.001 0.000 0.305 476 R C -0.122 176.207 176.300 0.049 0.000 1.053 476 R CA 0.011 56.125 56.100 0.024 0.000 0.957 476 R CB 1.492 31.809 30.300 0.029 0.000 1.022 476 R HN -0.161 nan 8.270 nan 0.000 0.461 477 S N 2.288 118.028 115.700 0.068 0.000 2.535 477 S HA 0.330 4.801 4.470 0.001 0.000 0.272 477 S C -2.567 172.127 174.600 0.155 0.000 1.149 477 S CA -1.283 56.978 58.200 0.101 0.000 0.888 477 S CB 1.678 64.911 63.200 0.056 0.000 1.110 477 S HN 0.443 nan 8.310 nan 0.000 0.463 478 P HA 0.173 nan 4.420 nan 0.000 0.246 478 P C 1.157 178.601 177.300 0.240 0.000 1.686 478 P CA -0.084 63.168 63.100 0.253 0.000 0.867 478 P CB -0.305 31.611 31.700 0.360 0.000 1.733 479 V N -0.221 119.817 119.914 0.206 0.000 2.219 479 V HA -0.276 3.844 4.120 0.001 0.000 0.248 479 V C 2.112 178.333 176.094 0.211 0.000 1.053 479 V CA 2.031 64.466 62.300 0.226 0.000 1.009 479 V CB -1.414 30.588 31.823 0.298 0.000 0.636 479 V HN 0.139 nan 8.190 nan 0.000 0.445 480 F N 0.554 120.432 119.950 -0.120 0.000 2.161 480 F HA -0.191 4.337 4.527 0.001 0.000 0.300 480 F C 2.085 177.796 175.800 -0.149 0.000 1.089 480 F CA 1.790 59.569 58.000 -0.368 0.000 1.282 480 F CB -0.426 38.228 39.000 -0.576 0.000 1.010 480 F HN 0.159 nan 8.300 nan 0.000 0.485 481 L N 0.478 121.670 121.223 -0.052 0.000 2.083 481 L HA -0.204 4.137 4.340 0.001 0.000 0.209 481 L C 2.190 179.089 176.870 0.048 0.000 1.083 481 L CA 1.859 56.649 54.840 -0.083 0.000 0.752 481 L CB -1.279 40.811 42.059 0.050 0.000 0.899 481 L HN 0.303 nan 8.230 nan 0.000 0.433 482 Q N -1.497 118.405 119.800 0.170 0.000 2.079 482 Q HA -0.208 4.133 4.340 0.001 0.000 0.200 482 Q C 2.141 178.189 176.000 0.080 0.000 0.974 482 Q CA 1.847 57.761 55.803 0.185 0.000 0.840 482 Q CB -0.316 28.482 28.738 0.100 0.000 0.898 482 Q HN 0.618 nan 8.270 nan 0.000 0.430 483 F N 1.316 121.208 119.950 -0.096 0.000 2.069 483 F HA -0.268 4.259 4.527 0.001 0.000 0.298 483 F C 1.811 177.475 175.800 -0.226 0.000 1.113 483 F CA 1.222 59.143 58.000 -0.131 0.000 1.214 483 F CB -0.332 38.514 39.000 -0.257 0.000 0.978 483 F HN 0.016 nan 8.300 nan 0.000 0.474 484 I N 0.756 120.897 120.570 -0.716 0.000 2.264 484 I HA -0.279 3.892 4.170 0.001 0.000 0.248 484 I C 2.266 178.139 176.117 -0.407 0.000 1.111 484 I CA 1.723 62.615 61.300 -0.679 0.000 1.382 484 I CB -1.564 36.131 38.000 -0.507 0.000 1.060 484 I HN 0.273 nan 8.210 nan 0.000 0.418 485 D N 0.729 121.060 120.400 -0.115 0.000 2.117 485 D HA -0.162 4.479 4.640 0.001 0.000 0.197 485 D C 2.297 178.567 176.300 -0.049 0.000 0.987 485 D CA 1.217 55.260 54.000 0.072 0.000 0.829 485 D CB 0.071 41.152 40.800 0.468 0.000 0.961 485 D HN 0.311 nan 8.370 nan 0.000 0.460 486 C N -0.219 119.007 119.300 -0.122 0.000 2.425 486 C HA -0.054 4.407 4.460 0.001 0.000 0.277 486 C C 2.948 177.790 174.990 -0.246 0.000 1.280 486 C CA 0.306 59.247 59.018 -0.130 0.000 1.744 486 C CB -0.888 26.803 27.740 -0.082 0.000 1.989 486 C HN 0.222 nan 8.230 nan 0.000 0.491 487 V N -0.538 119.113 119.914 -0.438 0.000 2.295 487 V HA -0.253 3.867 4.120 0.001 0.000 0.246 487 V C 2.138 177.928 176.094 -0.506 0.000 1.049 487 V CA 2.207 64.213 62.300 -0.489 0.000 1.024 487 V CB -0.793 30.659 31.823 -0.617 0.000 0.648 487 V HN 0.794 nan 8.190 nan 0.000 0.447 488 W N 0.870 121.760 121.300 -0.683 0.000 2.338 488 W HA -0.204 4.457 4.660 0.001 0.000 0.304 488 W C 2.518 178.727 176.519 -0.517 0.000 1.212 488 W CA 1.810 58.696 57.345 -0.765 0.000 1.264 488 W CB -0.225 28.372 29.460 -1.438 0.000 1.142 488 W HN 0.168 nan 8.180 nan 0.000 0.512 489 Q N -0.017 119.532 119.800 -0.419 0.000 2.096 489 Q HA -0.245 4.096 4.340 0.001 0.000 0.204 489 Q C 2.226 177.984 176.000 -0.403 0.000 0.982 489 Q CA 2.272 57.822 55.803 -0.421 0.000 0.850 489 Q CB -1.039 27.638 28.738 -0.102 0.000 0.901 489 Q HN 0.479 nan 8.270 nan 0.000 0.422 490 M N 0.253 119.682 119.600 -0.285 0.000 2.175 490 M HA -0.115 4.365 4.480 0.001 0.000 0.264 490 M C 2.260 178.539 176.300 -0.036 0.000 1.063 490 M CA 1.849 57.112 55.300 -0.061 0.000 1.119 490 M CB -0.755 31.859 32.600 0.023 0.000 1.377 490 M HN 0.294 nan 8.290 nan 0.000 0.415 491 T N -1.802 112.479 114.554 -0.455 0.000 2.951 491 T HA -0.032 4.318 4.350 0.001 0.000 0.268 491 T C 1.906 176.395 174.700 -0.352 0.000 1.073 491 T CA 0.572 62.436 62.100 -0.393 0.000 1.134 491 T CB -0.250 68.199 68.868 -0.697 0.000 0.884 491 T HN 0.320 nan 8.240 nan 0.000 0.479 492 R N 1.061 121.199 120.500 -0.603 0.000 2.092 492 R HA 0.031 4.372 4.340 0.001 0.000 0.231 492 R C 2.717 178.821 176.300 -0.326 0.000 1.119 492 R CA 1.356 57.143 56.100 -0.522 0.000 0.970 492 R CB -0.279 29.567 30.300 -0.757 0.000 0.864 492 R HN 0.603 nan 8.270 nan 0.000 0.440 493 Q N -0.900 118.711 119.800 -0.315 0.000 2.311 493 Q HA -0.030 4.311 4.340 0.001 0.000 0.203 493 Q C -0.166 175.395 176.000 -0.733 0.000 0.954 493 Q CA 0.791 56.325 55.803 -0.448 0.000 0.885 493 Q CB 0.341 28.818 28.738 -0.435 0.000 0.963 493 Q HN 0.187 nan 8.270 nan 0.000 0.471 494 F N -0.416 119.448 119.950 -0.144 0.000 2.622 494 F HA 0.304 4.831 4.527 0.001 0.000 0.338 494 F C -2.006 173.732 175.800 -0.105 0.000 1.334 494 F CA -2.153 55.747 58.000 -0.166 0.000 1.179 494 F CB 1.444 40.277 39.000 -0.278 0.000 1.471 494 F HN -0.100 nan 8.300 nan 0.000 0.576 495 P HA -0.134 nan 4.420 nan 0.000 0.231 495 P C 1.215 178.542 177.300 0.045 0.000 1.154 495 P CA 1.435 64.533 63.100 -0.002 0.000 0.762 495 P CB 0.031 31.713 31.700 -0.029 0.000 0.790 496 T N -6.787 107.814 114.554 0.077 0.000 3.058 496 T HA 0.436 4.786 4.350 0.001 0.000 0.278 496 T C 1.427 176.209 174.700 0.137 0.000 0.974 496 T CA 0.337 62.499 62.100 0.104 0.000 0.893 496 T CB -0.187 68.736 68.868 0.092 0.000 1.138 496 T HN -0.039 nan 8.240 nan 0.000 0.529 497 A N 0.521 123.345 122.820 0.005 0.000 2.195 497 A HA 0.597 4.918 4.320 0.001 0.000 0.210 497 A C 0.074 177.396 177.584 -0.437 0.000 1.165 497 A CA -0.084 51.813 52.037 -0.232 0.000 0.806 497 A CB -0.287 18.309 19.000 -0.673 0.000 0.847 497 A HN 0.494 nan 8.150 nan 0.000 0.482 498 F N -0.826 118.998 119.950 -0.210 0.000 2.495 498 F HA 0.380 4.907 4.527 0.001 0.000 0.327 498 F C 1.163 176.458 175.800 -0.842 0.000 1.103 498 F CA -0.719 56.895 58.000 -0.643 0.000 0.949 498 F CB 1.671 39.964 39.000 -1.178 0.000 1.142 498 F HN 0.227 nan 8.300 nan 0.000 0.457 499 E N 2.876 122.455 120.200 -1.036 0.000 2.274 499 E HA -0.086 4.265 4.350 0.001 0.000 0.194 499 E C 0.164 176.479 176.600 -0.475 0.000 0.996 499 E CA 0.490 56.234 56.400 -1.095 0.000 0.840 499 E CB 0.170 29.254 29.700 -1.027 0.000 0.772 499 E HN 0.478 nan 8.360 nan 0.000 0.491 500 F N 1.136 120.836 119.950 -0.416 0.000 2.380 500 F HA 0.435 4.963 4.527 0.001 0.000 0.319 500 F C 0.054 175.758 175.800 -0.160 0.000 1.113 500 F CA -1.341 56.409 58.000 -0.417 0.000 1.056 500 F CB 0.267 38.742 39.000 -0.876 0.000 1.289 500 F HN -0.189 nan 8.300 nan 0.000 0.515 501 N N -0.980 117.844 118.700 0.206 0.000 2.701 501 N HA 0.184 4.925 4.740 0.001 0.000 0.290 501 N C 0.299 176.048 175.510 0.399 0.000 1.338 501 N CA -0.603 52.571 53.050 0.206 0.000 0.799 501 N CB 0.765 39.379 38.487 0.212 0.000 1.491 501 N HN 0.884 nan 8.380 nan 0.000 0.540 502 E N -0.607 119.805 120.200 0.353 0.000 2.070 502 E HA -0.302 4.048 4.350 0.001 0.000 0.197 502 E C 1.054 177.946 176.600 0.486 0.000 1.004 502 E CA 1.267 57.938 56.400 0.452 0.000 0.805 502 E CB -0.279 29.717 29.700 0.492 0.000 0.744 502 E HN 0.586 nan 8.360 nan 0.000 0.451 503 Y N 0.300 120.815 120.300 0.358 0.000 2.193 503 Y HA -0.276 4.274 4.550 0.001 0.000 0.285 503 Y C 1.945 178.132 175.900 0.479 0.000 1.166 503 Y CA 1.945 60.264 58.100 0.365 0.000 1.181 503 Y CB -0.609 38.045 38.460 0.324 0.000 0.976 503 Y HN 0.212 nan 8.280 nan 0.000 0.520 504 F N -0.035 120.128 119.950 0.355 0.000 2.126 504 F HA -0.252 4.275 4.527 0.001 0.000 0.299 504 F C 1.872 177.596 175.800 -0.126 0.000 1.096 504 F CA 1.836 59.844 58.000 0.013 0.000 1.255 504 F CB -0.588 38.434 39.000 0.036 0.000 0.997 504 F HN 0.029 nan 8.300 nan 0.000 0.479 505 L N -0.192 121.065 121.223 0.057 0.000 2.056 505 L HA -0.188 4.153 4.340 0.001 0.000 0.207 505 L C 2.462 179.342 176.870 0.016 0.000 1.078 505 L CA 1.284 56.091 54.840 -0.055 0.000 0.749 505 L CB -0.689 41.426 42.059 0.095 0.000 0.901 505 L HN 0.163 nan 8.230 nan 0.000 0.433 506 I N -0.557 120.077 120.570 0.106 0.000 2.394 506 I HA -0.210 3.960 4.170 0.001 0.000 0.251 506 I C 2.387 178.428 176.117 -0.126 0.000 1.136 506 I CA 1.147 62.467 61.300 0.033 0.000 1.425 506 I CB -0.460 37.555 38.000 0.025 0.000 1.079 506 I HN 0.223 nan 8.210 nan 0.000 0.425 507 T N 1.160 115.558 114.554 -0.261 0.000 2.867 507 T HA -0.049 4.302 4.350 0.001 0.000 0.268 507 T C 1.887 176.490 174.700 -0.161 0.000 1.057 507 T CA 1.194 63.136 62.100 -0.263 0.000 1.136 507 T CB -0.144 68.575 68.868 -0.248 0.000 0.874 507 T HN 0.268 nan 8.240 nan 0.000 0.466 508 I N 0.615 121.060 120.570 -0.208 0.000 2.286 508 I HA -0.063 4.108 4.170 0.001 0.000 0.245 508 I C 2.156 178.249 176.117 -0.041 0.000 1.104 508 I CA 1.019 62.269 61.300 -0.084 0.000 1.397 508 I CB -0.363 37.579 38.000 -0.096 0.000 1.072 508 I HN 0.185 nan 8.210 nan 0.000 0.417 509 L N 0.262 121.426 121.223 -0.099 0.000 2.083 509 L HA -0.217 4.124 4.340 0.001 0.000 0.209 509 L C 2.070 178.848 176.870 -0.152 0.000 1.083 509 L CA 1.141 55.888 54.840 -0.156 0.000 0.752 509 L CB -0.709 41.284 42.059 -0.110 0.000 0.899 509 L HN 0.255 nan 8.230 nan 0.000 0.433 510 D N -0.967 119.382 120.400 -0.085 0.000 2.144 510 D HA -0.157 4.484 4.640 0.001 0.000 0.200 510 D C 1.953 178.201 176.300 -0.088 0.000 0.978 510 D CA 1.216 55.158 54.000 -0.097 0.000 0.833 510 D CB -0.057 40.624 40.800 -0.197 0.000 0.961 510 D HN 0.337 nan 8.370 nan 0.000 0.470 511 H N -0.320 118.777 119.070 0.045 0.000 2.539 511 H HA 0.092 4.649 4.556 0.001 0.000 0.269 511 H C 1.800 177.225 175.328 0.162 0.000 0.980 511 H CA -0.071 56.057 56.048 0.134 0.000 1.152 511 H CB 0.372 30.230 29.762 0.159 0.000 1.407 511 H HN 0.107 nan 8.280 nan 0.000 0.564 512 L N -0.458 120.782 121.223 0.029 0.000 2.156 512 L HA -0.084 4.257 4.340 0.001 0.000 0.208 512 L C 1.411 178.332 176.870 0.084 0.000 1.095 512 L CA 1.520 56.247 54.840 -0.188 0.000 0.770 512 L CB -0.323 41.355 42.059 -0.636 0.000 0.914 512 L HN 0.115 nan 8.230 nan 0.000 0.439 513 Y N -1.544 118.883 120.300 0.212 0.000 2.441 513 Y HA -0.027 4.523 4.550 0.001 0.000 0.288 513 Y C 2.753 178.788 175.900 0.225 0.000 1.118 513 Y CA 0.355 58.585 58.100 0.217 0.000 1.215 513 Y CB -0.328 38.200 38.460 0.113 0.000 1.118 513 Y HN 0.276 nan 8.280 nan 0.000 0.547 514 S N -0.119 115.773 115.700 0.319 0.000 2.380 514 S HA -0.302 4.169 4.470 0.001 0.000 0.229 514 S C 1.363 176.126 174.600 0.271 0.000 1.043 514 S CA 1.068 59.421 58.200 0.255 0.000 1.038 514 S CB -1.217 62.177 63.200 0.323 0.000 0.872 514 S HN 0.580 nan 8.310 nan 0.000 0.456 515 C N -0.118 119.322 119.300 0.234 0.000 4.358 515 C HA -0.128 4.333 4.460 0.001 0.000 0.287 515 C C 1.430 176.448 174.990 0.047 0.000 1.414 515 C CA 0.356 59.432 59.018 0.097 0.000 1.949 515 C CB -3.041 24.777 27.740 0.131 0.000 1.274 515 C HN 0.739 nan 8.230 nan 0.000 0.793 516 L N -0.583 120.614 121.223 -0.043 0.000 2.093 516 L HA 0.211 4.552 4.340 0.001 0.000 0.208 516 L C 0.933 177.296 176.870 -0.845 0.000 1.085 516 L CA 2.071 56.578 54.840 -0.555 0.000 0.755 516 L CB -0.155 41.337 42.059 -0.945 0.000 0.904 516 L HN 0.385 nan 8.230 nan 0.000 0.435 517 F N -2.245 117.527 119.950 -0.296 0.000 2.557 517 F HA 0.542 5.070 4.527 0.001 0.000 0.336 517 F C 1.375 176.993 175.800 -0.303 0.000 1.058 517 F CA -0.464 57.324 58.000 -0.352 0.000 0.988 517 F CB 0.898 39.558 39.000 -0.566 0.000 1.275 517 F HN -0.305 nan 8.300 nan 0.000 0.488 518 G N -0.647 108.134 108.800 -0.032 0.000 3.284 518 G HA2 0.074 4.035 3.960 0.001 0.000 0.236 518 G HA3 0.074 4.035 3.960 0.001 0.000 0.236 518 G C 0.930 175.825 174.900 -0.009 0.000 1.158 518 G CA 0.120 45.207 45.100 -0.022 0.000 0.774 518 G HN 0.646 nan 8.290 nan 0.000 0.545 519 T N 0.729 115.038 114.554 -0.409 0.000 2.746 519 T HA -0.074 4.277 4.350 0.001 0.000 0.267 519 T C 1.160 175.366 174.700 -0.822 0.000 1.039 519 T CA 0.775 62.380 62.100 -0.825 0.000 1.142 519 T CB -0.272 67.661 68.868 -1.559 0.000 0.866 519 T HN 0.347 nan 8.240 nan 0.000 0.444 520 F N 1.134 120.826 119.950 -0.429 0.000 2.916 520 F HA 0.425 4.952 4.527 0.001 0.000 0.294 520 F C 0.248 175.966 175.800 -0.136 0.000 1.189 520 F CA -0.673 57.007 58.000 -0.534 0.000 1.369 520 F CB -0.131 38.576 39.000 -0.488 0.000 0.961 520 F HN -0.016 nan 8.300 nan 0.000 0.508 521 L N -1.036 120.199 121.223 0.019 0.000 2.358 521 L HA 0.608 4.949 4.340 0.001 0.000 0.268 521 L C 0.504 177.482 176.870 0.180 0.000 1.032 521 L CA -0.719 54.174 54.840 0.088 0.000 0.805 521 L CB 1.397 43.457 42.059 0.002 0.000 1.253 521 L HN 0.273 nan 8.230 nan 0.000 0.452 522 C N 0.275 119.703 119.300 0.212 0.000 0.168 522 C HA -0.226 4.235 4.460 0.001 0.000 0.017 522 C C 0.891 175.998 174.990 0.194 0.000 0.171 522 C CA -0.500 58.621 59.018 0.173 0.000 0.499 522 C CB -1.007 26.805 27.740 0.121 0.000 3.212 522 C HN 1.069 nan 8.230 nan 0.000 1.118 523 N N 0.462 119.236 118.700 0.122 0.000 2.082 523 N HA 0.225 4.966 4.740 0.001 0.000 0.228 523 N C -0.491 175.071 175.510 0.087 0.000 1.341 523 N CA 0.945 54.041 53.050 0.077 0.000 0.873 523 N CB 0.922 39.385 38.487 -0.039 0.000 1.137 523 N HN 1.085 nan 8.380 nan 0.000 0.505 524 S N -1.370 114.391 115.700 0.101 0.000 2.611 524 S HA 0.269 4.740 4.470 0.001 0.000 0.268 524 S C 0.570 175.206 174.600 0.059 0.000 1.156 524 S CA -0.718 57.540 58.200 0.096 0.000 0.817 524 S CB 2.375 65.603 63.200 0.046 0.000 1.122 524 S HN 0.003 nan 8.310 nan 0.000 0.466 525 E N 0.630 120.862 120.200 0.053 0.000 2.047 525 E HA -0.220 4.131 4.350 0.001 0.000 0.191 525 E C 1.860 178.376 176.600 -0.141 0.000 0.987 525 E CA 1.388 57.809 56.400 0.035 0.000 0.799 525 E CB -0.295 29.490 29.700 0.143 0.000 0.752 525 E HN 0.688 nan 8.360 nan 0.000 0.449 526 Q N 0.361 119.884 119.800 -0.461 0.000 2.135 526 Q HA -0.288 4.052 4.340 0.001 0.000 0.204 526 Q C 2.268 178.109 176.000 -0.266 0.000 0.981 526 Q CA 1.835 57.217 55.803 -0.703 0.000 0.856 526 Q CB -0.082 28.013 28.738 -1.072 0.000 0.902 526 Q HN 0.415 nan 8.270 nan 0.000 0.425 527 Q N -0.004 119.702 119.800 -0.157 0.000 2.050 527 Q HA -0.171 4.169 4.340 0.001 0.000 0.202 527 Q C 2.099 178.075 176.000 -0.039 0.000 0.980 527 Q CA 1.505 57.270 55.803 -0.063 0.000 0.840 527 Q CB 0.091 28.822 28.738 -0.013 0.000 0.898 527 Q HN 0.362 nan 8.270 nan 0.000 0.424 528 R N -0.777 119.702 120.500 -0.034 0.000 2.120 528 R HA -0.094 4.246 4.340 0.001 0.000 0.234 528 R C 2.229 178.481 176.300 -0.080 0.000 1.123 528 R CA 0.994 57.067 56.100 -0.045 0.000 0.975 528 R CB -0.366 29.913 30.300 -0.035 0.000 0.866 528 R HN 0.352 nan 8.270 nan 0.000 0.446 529 G N 1.652 110.413 108.800 -0.065 0.000 2.414 529 G HA2 -0.238 3.723 3.960 0.001 0.000 0.215 529 G HA3 -0.238 3.723 3.960 0.001 0.000 0.215 529 G C 1.210 176.088 174.900 -0.037 0.000 1.188 529 G CA 0.391 45.464 45.100 -0.045 0.000 0.783 529 G HN 0.214 nan 8.290 nan 0.000 0.537 530 K N 0.451 120.831 120.400 -0.033 0.000 2.063 530 K HA -0.078 4.243 4.320 0.001 0.000 0.208 530 K C 2.220 178.811 176.600 -0.014 0.000 1.048 530 K CA 1.228 57.504 56.287 -0.018 0.000 0.928 530 K CB -0.108 32.380 32.500 -0.020 0.000 0.713 530 K HN 0.276 nan 8.250 nan 0.000 0.442 531 E N 0.674 120.867 120.200 -0.011 0.000 2.478 531 E HA -0.109 4.241 4.350 0.001 0.000 0.198 531 E C 0.027 176.634 176.600 0.012 0.000 1.046 531 E CA 0.118 56.529 56.400 0.019 0.000 0.870 531 E CB -0.182 29.555 29.700 0.061 0.000 0.818 531 E HN 0.224 nan 8.360 nan 0.000 0.527 532 N N 0.359 119.033 118.700 -0.043 0.000 2.740 532 N HA -0.206 4.535 4.740 0.001 0.000 0.248 532 N C 0.540 175.965 175.510 -0.141 0.000 1.062 532 N CA 0.194 53.196 53.050 -0.082 0.000 0.704 532 N CB -1.480 36.984 38.487 -0.038 0.000 0.968 532 N HN 0.205 nan 8.380 nan 0.000 0.547 533 L N -0.560 120.524 121.223 -0.231 0.000 2.042 533 L HA -0.120 4.220 4.340 0.001 0.000 0.210 533 L C -0.535 175.904 176.870 -0.718 0.000 1.076 533 L CA 1.717 56.337 54.840 -0.367 0.000 0.749 533 L CB -1.199 40.617 42.059 -0.406 0.000 0.893 533 L HN 0.263 nan 8.230 nan 0.000 0.432 534 P HA -0.169 nan 4.420 nan 0.000 0.216 534 P C 1.176 178.178 177.300 -0.497 0.000 1.150 534 P CA 1.427 63.698 63.100 -1.383 0.000 0.837 534 P CB 0.021 31.213 31.700 -0.846 0.000 0.786 535 K N -1.069 119.166 120.400 -0.275 0.000 2.400 535 K HA 0.126 4.446 4.320 0.001 0.000 0.194 535 K C 1.759 178.338 176.600 -0.035 0.000 1.033 535 K CA 0.463 56.693 56.287 -0.095 0.000 1.021 535 K CB 0.159 32.620 32.500 -0.066 0.000 0.808 535 K HN 0.097 nan 8.250 nan 0.000 0.505 536 R N 0.396 120.867 120.500 -0.048 0.000 2.404 536 R HA 0.050 4.391 4.340 0.001 0.000 0.237 536 R C 0.255 176.543 176.300 -0.019 0.000 0.907 536 R CA 0.358 56.481 56.100 0.039 0.000 1.063 536 R CB 1.069 31.475 30.300 0.176 0.000 1.134 536 R HN 0.101 nan 8.270 nan 0.000 0.529 537 T N -2.844 111.701 114.554 -0.015 0.000 2.896 537 T HA 0.465 4.816 4.350 0.001 0.000 0.297 537 T C -0.302 174.612 174.700 0.356 0.000 1.108 537 T CA -0.757 61.362 62.100 0.032 0.000 1.004 537 T CB 2.220 71.014 68.868 -0.124 0.000 1.159 537 T HN -0.249 nan 8.240 nan 0.000 0.499 538 V N 2.311 122.401 119.914 0.293 0.000 2.498 538 V HA 0.492 4.613 4.120 0.001 0.000 0.279 538 V C 0.947 177.115 176.094 0.122 0.000 1.048 538 V CA -0.530 61.980 62.300 0.350 0.000 0.967 538 V CB 1.379 33.500 31.823 0.497 0.000 0.988 538 V HN 1.109 nan 8.190 nan 0.000 0.473 539 S N 3.330 118.787 115.700 -0.405 0.000 2.564 539 S HA 0.154 4.624 4.470 0.001 0.000 0.278 539 S C 0.935 174.850 174.600 -1.142 0.000 1.333 539 S CA -0.573 56.920 58.200 -1.179 0.000 1.048 539 S CB 0.659 62.863 63.200 -1.660 0.000 0.900 539 S HN 0.676 nan 8.310 nan 0.000 0.505 540 L N 5.817 126.050 121.223 -1.650 0.000 2.127 540 L HA 0.034 4.374 4.340 0.001 0.000 0.211 540 L C 1.620 177.673 176.870 -1.362 0.000 1.089 540 L CA 1.830 55.365 54.840 -2.174 0.000 0.757 540 L CB -0.590 40.258 42.059 -2.017 0.000 0.899 540 L HN 0.900 nan 8.230 nan 0.000 0.434 541 W N -1.206 119.633 121.300 -0.767 0.000 2.425 541 W HA -0.079 4.582 4.660 0.001 0.000 0.277 541 W C 2.492 178.746 176.519 -0.442 0.000 1.231 541 W CA 0.358 57.402 57.345 -0.501 0.000 1.248 541 W CB -0.605 28.625 29.460 -0.383 0.000 1.117 541 W HN 0.050 nan 8.180 nan 0.000 0.568 542 S N -0.059 115.403 115.700 -0.397 0.000 2.382 542 S HA -0.260 4.211 4.470 0.001 0.000 0.228 542 S C 1.456 175.653 174.600 -0.672 0.000 1.027 542 S CA 1.481 59.441 58.200 -0.400 0.000 0.991 542 S CB -0.607 62.368 63.200 -0.376 0.000 0.823 542 S HN 0.429 nan 8.310 nan 0.000 0.469 543 Y N 1.757 121.448 120.300 -1.015 0.000 2.269 543 Y HA 0.155 4.706 4.550 0.001 0.000 0.294 543 Y C 1.747 177.599 175.900 -0.081 0.000 1.120 543 Y CA 0.664 58.319 58.100 -0.743 0.000 1.159 543 Y CB -0.405 37.756 38.460 -0.498 0.000 1.024 543 Y HN 0.151 nan 8.280 nan 0.000 0.532 544 I N 0.693 121.056 120.570 -0.345 0.000 2.252 544 I HA -0.301 3.870 4.170 0.001 0.000 0.245 544 I C 1.361 177.546 176.117 0.112 0.000 1.102 544 I CA 1.354 62.636 61.300 -0.029 0.000 1.385 544 I CB -0.489 37.501 38.000 -0.018 0.000 1.064 544 I HN 0.221 nan 8.210 nan 0.000 0.414 545 N N 0.414 119.139 118.700 0.040 0.000 2.571 545 N HA -0.043 4.698 4.740 0.001 0.000 0.189 545 N C 1.479 177.026 175.510 0.061 0.000 1.154 545 N CA 0.617 53.708 53.050 0.069 0.000 0.907 545 N CB 0.109 38.626 38.487 0.049 0.000 0.977 545 N HN 0.248 nan 8.380 nan 0.000 0.449 546 S N -0.218 115.501 115.700 0.032 0.000 2.502 546 S HA 0.039 4.510 4.470 0.001 0.000 0.215 546 S C 1.256 175.882 174.600 0.043 0.000 1.009 546 S CA 0.010 58.264 58.200 0.090 0.000 0.908 546 S CB 0.518 63.865 63.200 0.244 0.000 0.801 546 S HN 0.178 nan 8.310 nan 0.000 0.505 547 Q N 1.040 120.813 119.800 -0.046 0.000 2.182 547 Q HA 0.412 4.753 4.340 0.001 0.000 0.270 547 Q C 0.874 176.804 176.000 -0.117 0.000 0.861 547 Q CA -0.045 55.699 55.803 -0.098 0.000 1.098 547 Q CB -0.613 27.999 28.738 -0.211 0.000 1.188 547 Q HN 0.362 nan 8.270 nan 0.000 0.464 548 L N 0.574 121.810 121.223 0.022 0.000 2.263 548 L HA -0.223 4.118 4.340 0.001 0.000 0.216 548 L C 2.097 178.964 176.870 -0.006 0.000 1.111 548 L CA 1.647 56.547 54.840 0.099 0.000 0.773 548 L CB -0.538 41.579 42.059 0.096 0.000 0.906 548 L HN 0.510 nan 8.230 nan 0.000 0.439 549 E N -0.407 119.757 120.200 -0.059 0.000 2.338 549 E HA -0.224 4.126 4.350 0.001 0.000 0.197 549 E C 0.662 177.195 176.600 -0.111 0.000 1.007 549 E CA 1.185 57.551 56.400 -0.057 0.000 0.849 549 E CB -0.171 29.502 29.700 -0.044 0.000 0.774 549 E HN 0.492 nan 8.360 nan 0.000 0.506 550 D N -0.442 119.795 120.400 -0.271 0.000 2.350 550 D HA 0.101 4.742 4.640 0.001 0.000 0.213 550 D C 0.585 176.762 176.300 -0.205 0.000 1.031 550 D CA 0.305 54.099 54.000 -0.343 0.000 0.861 550 D CB -0.026 40.472 40.800 -0.503 0.000 0.926 550 D HN 0.299 nan 8.370 nan 0.000 0.520 551 F N 0.013 120.091 119.950 0.214 0.000 2.706 551 F HA 0.136 4.664 4.527 0.001 0.000 0.313 551 F C 0.629 176.478 175.800 0.081 0.000 1.096 551 F CA -0.277 57.871 58.000 0.247 0.000 1.219 551 F CB 0.589 39.748 39.000 0.265 0.000 1.051 551 F HN -0.326 nan 8.300 nan 0.000 0.568 552 T N 0.476 115.127 114.554 0.161 0.000 2.817 552 T HA 0.082 4.433 4.350 0.001 0.000 0.293 552 T C -0.201 174.529 174.700 0.051 0.000 0.964 552 T CA -0.571 61.564 62.100 0.059 0.000 1.085 552 T CB 1.022 69.913 68.868 0.038 0.000 0.921 552 T HN -0.041 nan 8.240 nan 0.000 0.502 553 N N 4.240 122.940 118.700 -0.001 0.000 2.401 553 N HA 0.182 4.922 4.740 0.001 0.000 0.255 553 N C -1.170 174.380 175.510 0.066 0.000 1.110 553 N CA -2.258 50.804 53.050 0.020 0.000 0.949 553 N CB 0.921 39.387 38.487 -0.036 0.000 1.110 553 N HN 0.239 nan 8.380 nan 0.000 0.490 554 P HA -0.090 nan 4.420 nan 0.000 0.223 554 P C 0.670 178.012 177.300 0.070 0.000 1.151 554 P CA 1.002 64.139 63.100 0.062 0.000 0.787 554 P CB 0.324 32.048 31.700 0.040 0.000 0.788 555 L N -1.664 119.602 121.223 0.072 0.000 2.629 555 L HA 0.138 4.479 4.340 0.001 0.000 0.230 555 L C 0.808 177.735 176.870 0.096 0.000 1.151 555 L CA -0.671 54.207 54.840 0.062 0.000 0.924 555 L CB -0.851 41.235 42.059 0.044 0.000 1.137 555 L HN -0.085 nan 8.230 nan 0.000 0.457 556 Y N 1.255 121.541 120.300 -0.022 0.000 2.537 556 Y HA 0.418 4.968 4.550 0.001 0.000 0.339 556 Y C 0.888 176.776 175.900 -0.021 0.000 1.066 556 Y CA 0.417 58.497 58.100 -0.035 0.000 1.357 556 Y CB 0.501 38.930 38.460 -0.052 0.000 1.175 556 Y HN 0.144 nan 8.280 nan 0.000 0.525 557 G N 1.964 110.517 108.800 -0.412 0.000 4.386 557 G HA2 -0.236 3.725 3.960 0.001 0.000 0.185 557 G HA3 -0.236 3.725 3.960 0.001 0.000 0.185 557 G C 1.252 176.044 174.900 -0.179 0.000 1.725 557 G CA 0.029 44.868 45.100 -0.434 0.000 0.941 557 G HN 0.512 nan 8.290 nan 0.000 0.315 558 S N 0.341 116.000 115.700 -0.068 0.000 2.502 558 S HA -0.299 4.172 4.470 0.001 0.000 0.288 558 S C 1.561 176.194 174.600 0.054 0.000 1.186 558 S CA 2.383 60.586 58.200 0.004 0.000 1.182 558 S CB -0.525 62.701 63.200 0.045 0.000 1.135 558 S HN 0.638 nan 8.310 nan 0.000 0.442 559 Y N 1.124 121.397 120.300 -0.044 0.000 3.025 559 Y HA 0.393 4.944 4.550 0.001 0.000 0.522 559 Y C 1.191 177.078 175.900 -0.022 0.000 1.476 559 Y CA 0.793 58.892 58.100 -0.000 0.000 2.213 559 Y CB -0.217 38.244 38.460 0.002 0.000 1.780 559 Y HN 0.323 nan 8.280 nan 0.000 0.671 560 S N -1.515 114.076 115.700 -0.182 0.000 2.660 560 S HA 0.081 4.552 4.470 0.001 0.000 0.264 560 S C -1.011 173.465 174.600 -0.207 0.000 1.131 560 S CA -0.419 57.628 58.200 -0.255 0.000 0.846 560 S CB -0.073 62.915 63.200 -0.353 0.000 1.151 560 S HN 0.657 nan 8.310 nan 0.000 0.486 561 N N 1.411 119.908 118.700 -0.338 0.000 2.926 561 N HA 0.021 4.761 4.740 0.001 0.000 0.284 561 N C -0.408 174.890 175.510 -0.353 0.000 1.303 561 N CA 0.405 53.298 53.050 -0.262 0.000 1.062 561 N CB -0.452 37.892 38.487 -0.237 0.000 1.389 561 N HN 0.434 nan 8.380 nan 0.000 0.538 562 H N -0.991 118.049 119.070 -0.049 0.000 2.810 562 H HA 0.311 4.868 4.556 0.001 0.000 0.316 562 H C -0.189 175.201 175.328 0.104 0.000 1.426 562 H CA -0.593 55.456 56.048 0.001 0.000 1.413 562 H CB 1.278 30.957 29.762 -0.137 0.000 1.874 562 H HN -0.193 nan 8.280 nan 0.000 0.737 563 V N 2.309 122.389 119.914 0.277 0.000 2.509 563 V HA 0.157 4.278 4.120 0.001 0.000 0.284 563 V C 0.418 176.512 176.094 -0.001 0.000 1.047 563 V CA -0.483 61.873 62.300 0.094 0.000 0.952 563 V CB 0.977 32.895 31.823 0.158 0.000 0.988 563 V HN 0.295 nan 8.190 nan 0.000 0.469 564 L N 5.108 126.123 121.223 -0.348 0.000 2.307 564 L HA 0.489 4.829 4.340 0.001 0.000 0.282 564 L C -1.145 175.404 176.870 -0.535 0.000 1.051 564 L CA -0.441 54.047 54.840 -0.586 0.000 0.804 564 L CB 0.905 42.371 42.059 -0.988 0.000 1.197 564 L HN 0.593 nan 8.230 nan 0.000 0.431 565 Y N 2.886 123.189 120.300 0.005 0.000 2.609 565 Y HA 0.274 4.824 4.550 0.001 0.000 0.350 565 Y C -1.958 174.061 175.900 0.199 0.000 1.050 565 Y CA -1.972 56.178 58.100 0.083 0.000 1.290 565 Y CB 0.749 39.241 38.460 0.053 0.000 1.094 565 Y HN 0.435 nan 8.280 nan 0.000 0.583 566 P HA 0.107 nan 4.420 nan 0.000 0.273 566 P C -0.451 176.888 177.300 0.064 0.000 1.250 566 P CA -0.145 63.086 63.100 0.218 0.000 0.793 566 P CB 1.628 33.422 31.700 0.158 0.000 1.011 567 V N 0.777 120.665 119.914 -0.045 0.000 2.350 567 V HA 0.411 4.531 4.120 0.001 0.000 0.276 567 V C 0.625 176.698 176.094 -0.035 0.000 1.028 567 V CA -0.697 61.543 62.300 -0.101 0.000 0.860 567 V CB 0.582 32.199 31.823 -0.344 0.000 0.990 567 V HN 0.731 nan 8.190 nan 0.000 0.453 568 A N 4.432 127.245 122.820 -0.013 0.000 2.415 568 A HA 0.738 5.059 4.320 0.001 0.000 0.309 568 A C 0.229 177.819 177.584 0.010 0.000 1.356 568 A CA -0.009 52.031 52.037 0.005 0.000 0.998 568 A CB 0.039 19.040 19.000 0.002 0.000 1.145 568 A HN 0.782 nan 8.150 nan 0.000 0.545 569 S N 2.023 117.744 115.700 0.035 0.000 2.579 569 S HA 0.196 4.666 4.470 0.001 0.000 0.290 569 S C 0.607 175.247 174.600 0.066 0.000 1.123 569 S CA -0.677 57.551 58.200 0.046 0.000 0.894 569 S CB 1.026 64.259 63.200 0.055 0.000 1.095 569 S HN 0.589 nan 8.310 nan 0.000 0.450 570 M N 1.611 121.236 119.600 0.042 0.000 2.617 570 M HA -0.037 4.444 4.480 0.001 0.000 0.258 570 M C 1.457 177.780 176.300 0.037 0.000 1.067 570 M CA 1.442 56.761 55.300 0.033 0.000 1.057 570 M CB -1.011 31.596 32.600 0.012 0.000 1.397 570 M HN 0.525 nan 8.290 nan 0.000 0.499 571 R N -1.846 118.690 120.500 0.060 0.000 2.334 571 R HA 0.079 4.420 4.340 0.001 0.000 0.216 571 R C 0.985 177.266 176.300 -0.033 0.000 0.905 571 R CA 0.251 56.368 56.100 0.028 0.000 1.064 571 R CB 0.371 30.702 30.300 0.051 0.000 1.046 571 R HN 0.500 nan 8.270 nan 0.000 0.508 572 H N -0.931 118.133 119.070 -0.011 0.000 3.535 572 H HA 0.242 4.798 4.556 0.001 0.000 0.260 572 H C -0.118 175.194 175.328 -0.026 0.000 1.173 572 H CA -0.083 55.947 56.048 -0.031 0.000 1.168 572 H CB 1.098 30.829 29.762 -0.050 0.000 1.568 572 H HN -0.044 nan 8.280 nan 0.000 0.602 573 L N 2.863 124.144 121.223 0.097 0.000 2.307 573 L HA 0.272 4.612 4.340 0.001 0.000 0.282 573 L C -0.051 176.895 176.870 0.127 0.000 1.051 573 L CA -0.245 54.650 54.840 0.092 0.000 0.804 573 L CB 1.562 43.673 42.059 0.086 0.000 1.197 573 L HN 0.180 nan 8.230 nan 0.000 0.431 574 E N 2.659 122.985 120.200 0.210 0.000 2.299 574 E HA 0.473 4.824 4.350 0.001 0.000 0.265 574 E C -1.157 175.689 176.600 0.409 0.000 0.911 574 E CA -1.148 55.426 56.400 0.289 0.000 0.789 574 E CB 2.559 32.450 29.700 0.318 0.000 1.246 574 E HN 0.209 nan 8.360 nan 0.000 0.427 575 L N 1.937 123.366 121.223 0.344 0.000 2.410 575 L HA 0.108 4.449 4.340 0.001 0.000 0.273 575 L C -0.477 176.605 176.870 0.352 0.000 1.152 575 L CA -0.094 54.944 54.840 0.330 0.000 0.855 575 L CB 0.261 42.491 42.059 0.285 0.000 1.129 575 L HN 0.679 nan 8.230 nan 0.000 0.463 576 W N 6.391 127.711 121.300 0.032 0.000 1.435 576 W HA 0.172 4.833 4.660 0.001 0.000 0.471 576 W C 0.763 177.126 176.519 -0.260 0.000 0.590 576 W CA -0.495 56.538 57.345 -0.520 0.000 2.419 576 W CB -0.820 28.331 29.460 -0.514 0.000 1.251 576 W HN 0.493 nan 8.180 nan 0.000 0.338 577 V N 2.646 122.636 119.914 0.125 0.000 2.357 577 V HA -0.349 3.771 4.120 0.001 0.000 0.257 577 V C 2.513 178.521 176.094 -0.143 0.000 1.082 577 V CA 2.510 64.834 62.300 0.040 0.000 1.078 577 V CB -1.413 30.461 31.823 0.085 0.000 0.663 577 V HN 0.541 nan 8.190 nan 0.000 0.455 578 G N -2.479 106.241 108.800 -0.134 0.000 2.479 578 G HA2 -0.297 3.664 3.960 0.001 0.000 0.220 578 G HA3 -0.297 3.664 3.960 0.001 0.000 0.220 578 G C 1.394 175.918 174.900 -0.626 0.000 1.115 578 G CA 1.295 46.254 45.100 -0.234 0.000 0.757 578 G HN 0.618 nan 8.290 nan 0.000 0.560 579 Y N -1.067 118.462 120.300 -1.286 0.000 2.439 579 Y HA 0.254 4.805 4.550 0.001 0.000 0.281 579 Y C 2.411 177.727 175.900 -0.974 0.000 1.145 579 Y CA 0.348 57.586 58.100 -1.436 0.000 1.252 579 Y CB 0.142 37.117 38.460 -2.475 0.000 1.271 579 Y HN 0.117 nan 8.280 nan 0.000 0.516 580 Y N 0.540 120.576 120.300 -0.439 0.000 2.497 580 Y HA 0.046 4.597 4.550 0.001 0.000 0.292 580 Y C 0.347 176.096 175.900 -0.251 0.000 1.137 580 Y CA 0.992 58.936 58.100 -0.259 0.000 1.285 580 Y CB 0.013 38.391 38.460 -0.137 0.000 0.991 580 Y HN -0.003 nan 8.280 nan 0.000 0.556 581 I N 0.868 121.334 120.570 -0.172 0.000 2.926 581 I HA 0.243 4.414 4.170 0.001 0.000 0.295 581 I C 0.731 176.652 176.117 -0.327 0.000 1.463 581 I CA -0.126 61.077 61.300 -0.161 0.000 0.892 581 I CB 0.676 38.643 38.000 -0.054 0.000 1.874 581 I HN 0.033 nan 8.210 nan 0.000 0.620 582 R N 1.201 121.321 120.500 -0.634 0.000 2.472 582 R HA 0.202 4.542 4.340 0.001 0.000 0.279 582 R C 0.301 176.209 176.300 -0.654 0.000 0.953 582 R CA -0.111 55.576 56.100 -0.689 0.000 1.088 582 R CB 0.122 29.884 30.300 -0.898 0.000 1.197 582 R HN 0.540 nan 8.270 nan 0.000 0.536 583 W N 0.471 121.640 121.300 -0.219 0.000 2.762 583 W HA 0.242 4.903 4.660 0.001 0.000 0.265 583 W C 0.509 176.749 176.519 -0.464 0.000 1.263 583 W CA -0.841 56.380 57.345 -0.207 0.000 1.411 583 W CB 0.154 29.592 29.460 -0.037 0.000 1.065 583 W HN 0.001 nan 8.180 nan 0.000 0.609 584 N N 2.257 120.706 118.700 -0.418 0.000 2.427 584 N HA 0.016 4.757 4.740 0.001 0.000 0.269 584 N C -1.897 173.341 175.510 -0.453 0.000 1.235 584 N CA -0.934 51.602 53.050 -0.857 0.000 0.934 584 N CB 1.002 39.185 38.487 -0.506 0.000 1.121 584 N HN -0.127 nan 8.380 nan 0.000 0.480 585 P HA -0.001 nan 4.420 nan 0.000 0.239 585 P C -0.422 176.815 177.300 -0.106 0.000 1.184 585 P CA 0.241 63.251 63.100 -0.149 0.000 0.760 585 P CB 0.143 31.823 31.700 -0.033 0.000 0.884 586 R N 0.000 120.413 120.500 -0.145 0.000 2.786 586 R HA 0.000 4.341 4.340 0.001 0.000 0.208 586 R CA 0.000 56.050 56.100 -0.084 0.000 0.921 586 R CB 0.000 30.259 30.300 -0.068 0.000 0.687 586 R HN 0.000 nan 8.270 nan 0.000 0.535