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 3du5_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVHYYRLSLK SRQKAPKIVN SKYNSILNIA LKNFRLCKKH KTKKPVQILA DATA SEQUENCE LLQEIIPKSY FGTTTNLKRF YKVVEKILTQ SSFECIHLSV LHKCYDYDAI DATA SEQUENCE PWLQNVEPNL RPKLLLKHNL FLLDNIVKPI IAFYYKPIKT LNGHEIKFIR DATA SEQUENCE KEEYISFESK VFHKLKKMKY LVEVQDEVKP RGVLNIIPKQ DNFRAIVSIF DATA SEQUENCE PDSARKPFFK LLTSKIYKVL EEKYKTSGSL YTCWSEFTQK TQGQIYGIKV DATA SEQUENCE DIRDAYGNVK IPVLCKLIQS IPTHLLDSEK KNFIVDHISN QFVAFRRKIY DATA SEQUENCE KWNHGLLQGD PLSGCLCELY MAFMDRLYFS NLDKDAFIHR TVDDYFFCSP DATA SEQUENCE HPHKVYDFEL LIKGVYQVNP TKTRTNLPTH RHPQDEIPYC GKIFNLTTRQ DATA SEQUENCE VRTLYKLPPN YEIRHKFKLW NFNNQISDDN PARFLQKAMD FPFICNSFTK DATA SEQUENCE FEFNTVFNDQ RTVFANFYDA MICVAYKFDA AMMALRTSFL VNDFGFIWLV DATA SEQUENCE LSSTVRAYAS RAFKKIVTYK GGKYRKVTFQ CLKSIAWRAF LAVLKRRTEI DATA SEQUENCE YKGLIDRIKS REKLTMKFHD GEVDASYFCK LPEKFRFVKI NRKASI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.970 176.300 -0.549 0.000 1.140 1 M CA 0.000 55.134 55.300 -0.277 0.000 0.988 1 M CB 0.000 32.522 32.600 -0.130 0.000 1.302 2 V N 2.712 122.296 119.914 -0.549 0.000 2.328 2 V HA 0.405 4.524 4.120 -0.001 0.000 0.278 2 V C -0.157 175.646 176.094 -0.485 0.000 1.021 2 V CA -0.291 61.721 62.300 -0.479 0.000 0.838 2 V CB 0.502 32.193 31.823 -0.220 0.000 0.999 2 V HN 0.469 nan 8.190 nan 0.000 0.447 3 H N 2.237 121.253 119.070 -0.091 0.000 2.874 3 H HA 0.333 4.888 4.556 -0.001 0.000 0.264 3 H C -0.021 175.461 175.328 0.257 0.000 1.007 3 H CA -0.218 55.884 56.048 0.090 0.000 1.207 3 H CB 0.213 30.068 29.762 0.155 0.000 1.487 3 H HN 0.558 nan 8.280 nan 0.000 0.505 4 Y N 0.508 120.878 120.300 0.117 0.000 2.310 4 Y HA 0.176 4.726 4.550 -0.001 0.000 0.326 4 Y C -0.715 175.376 175.900 0.318 0.000 1.151 4 Y CA -1.271 56.910 58.100 0.135 0.000 1.195 4 Y CB 1.137 39.724 38.460 0.212 0.000 1.210 4 Y HN 0.110 nan 8.280 nan 0.000 0.483 5 Y N 4.072 124.481 120.300 0.183 0.000 2.376 5 Y HA 0.377 4.926 4.550 -0.001 0.000 0.326 5 Y C -0.469 175.399 175.900 -0.054 0.000 0.970 5 Y CA -1.683 56.471 58.100 0.089 0.000 1.248 5 Y CB 0.363 38.833 38.460 0.016 0.000 1.117 5 Y HN 0.530 nan 8.280 nan 0.000 0.476 6 R N 6.543 126.758 120.500 -0.475 0.000 2.473 6 R HA 0.042 4.382 4.340 -0.001 0.000 0.315 6 R C 0.768 176.600 176.300 -0.779 0.000 0.972 6 R CA 0.218 55.968 56.100 -0.583 0.000 1.047 6 R CB 0.462 30.417 30.300 -0.574 0.000 0.932 6 R HN 0.878 nan 8.270 nan 0.000 0.411 7 L N 1.631 122.521 121.223 -0.553 0.000 2.456 7 L HA -0.074 4.266 4.340 -0.001 0.000 0.224 7 L C 1.246 177.941 176.870 -0.292 0.000 1.148 7 L CA 0.388 54.977 54.840 -0.419 0.000 0.825 7 L CB -0.253 41.639 42.059 -0.278 0.000 0.937 7 L HN 0.587 nan 8.230 nan 0.000 0.450 8 S N 0.410 115.931 115.700 -0.298 0.000 2.563 8 S HA -0.072 4.398 4.470 -0.001 0.000 0.294 8 S C 0.914 175.410 174.600 -0.173 0.000 1.279 8 S CA -0.477 57.592 58.200 -0.218 0.000 1.069 8 S CB 0.638 63.682 63.200 -0.259 0.000 0.828 8 S HN 0.193 nan 8.310 nan 0.000 0.497 9 L N 4.747 125.920 121.223 -0.083 0.000 2.622 9 L HA 0.185 4.525 4.340 -0.001 0.000 0.233 9 L C 1.712 178.548 176.870 -0.056 0.000 1.156 9 L CA 1.450 56.267 54.840 -0.037 0.000 0.866 9 L CB -0.430 41.665 42.059 0.059 0.000 0.980 9 L HN 0.702 nan 8.230 nan 0.000 0.448 10 K N -1.864 118.477 120.400 -0.098 0.000 2.444 10 K HA 0.091 4.410 4.320 -0.001 0.000 0.193 10 K C 1.788 178.333 176.600 -0.091 0.000 1.024 10 K CA 0.711 56.943 56.287 -0.092 0.000 1.077 10 K CB 0.127 32.559 32.500 -0.113 0.000 0.833 10 K HN 0.357 nan 8.250 nan 0.000 0.517 11 S N 0.818 116.458 115.700 -0.101 0.000 2.511 11 S HA 0.010 4.480 4.470 -0.001 0.000 0.214 11 S C 0.669 175.240 174.600 -0.047 0.000 0.997 11 S CA -0.769 57.383 58.200 -0.081 0.000 0.908 11 S CB -0.138 62.996 63.200 -0.110 0.000 0.803 11 S HN 0.239 nan 8.310 nan 0.000 0.504 12 R N 1.076 121.547 120.500 -0.047 0.000 2.638 12 R HA 0.175 4.515 4.340 -0.001 0.000 0.268 12 R C -0.558 175.709 176.300 -0.054 0.000 1.006 12 R CA 0.208 56.279 56.100 -0.048 0.000 1.088 12 R CB -0.035 30.248 30.300 -0.027 0.000 0.950 12 R HN 0.396 nan 8.270 nan 0.000 0.419 13 Q N 1.105 120.851 119.800 -0.090 0.000 2.348 13 Q HA 0.225 4.565 4.340 -0.001 0.000 0.271 13 Q C -1.110 174.839 176.000 -0.085 0.000 1.067 13 Q CA -1.271 54.480 55.803 -0.088 0.000 0.839 13 Q CB 2.161 30.828 28.738 -0.118 0.000 1.354 13 Q HN 0.369 nan 8.270 nan 0.000 0.447 14 K N 1.465 121.837 120.400 -0.046 0.000 2.351 14 K HA 0.192 4.512 4.320 -0.001 0.000 0.287 14 K C -0.854 175.724 176.600 -0.038 0.000 1.068 14 K CA 0.108 56.386 56.287 -0.016 0.000 0.998 14 K CB -0.075 32.425 32.500 0.000 0.000 0.968 14 K HN 0.610 nan 8.250 nan 0.000 0.464 15 A N 6.209 129.011 122.820 -0.030 0.000 2.511 15 A HA 0.265 4.584 4.320 -0.001 0.000 0.242 15 A C -1.969 175.630 177.584 0.025 0.000 1.069 15 A CA -0.967 51.032 52.037 -0.064 0.000 0.763 15 A CB -0.451 18.530 19.000 -0.031 0.000 1.001 15 A HN 0.645 nan 8.150 nan 0.000 0.498 16 P HA 0.230 nan 4.420 nan 0.000 0.274 16 P C 0.648 177.996 177.300 0.079 0.000 1.256 16 P CA -0.572 62.573 63.100 0.075 0.000 0.795 16 P CB 0.575 32.344 31.700 0.116 0.000 1.038 17 K N -0.007 120.425 120.400 0.053 0.000 2.155 17 K HA 0.065 4.385 4.320 -0.001 0.000 0.203 17 K C 0.928 177.548 176.600 0.034 0.000 1.052 17 K CA 1.149 57.459 56.287 0.038 0.000 0.948 17 K CB -0.335 32.176 32.500 0.019 0.000 0.728 17 K HN 0.539 nan 8.250 nan 0.000 0.448 18 I N -2.486 118.103 120.570 0.033 0.000 2.827 18 I HA 0.236 4.405 4.170 -0.001 0.000 0.298 18 I C -0.138 175.982 176.117 0.005 0.000 1.235 18 I CA -1.539 59.765 61.300 0.006 0.000 1.021 18 I CB 1.981 39.978 38.000 -0.004 0.000 1.259 18 I HN -0.311 nan 8.210 nan 0.000 0.427 19 V N 1.632 121.507 119.914 -0.066 0.000 2.775 19 V HA 0.451 4.571 4.120 -0.001 0.000 0.299 19 V C 0.305 176.392 176.094 -0.011 0.000 1.062 19 V CA -0.138 62.105 62.300 -0.095 0.000 1.063 19 V CB 0.736 32.340 31.823 -0.366 0.000 0.994 19 V HN 1.054 nan 8.190 nan 0.000 0.483 20 N N 2.854 121.586 118.700 0.052 0.000 2.327 20 N HA 0.106 4.845 4.740 -0.001 0.000 0.285 20 N C 1.271 176.777 175.510 -0.007 0.000 1.299 20 N CA 0.272 53.336 53.050 0.024 0.000 0.944 20 N CB -0.183 38.321 38.487 0.027 0.000 1.067 20 N HN 0.645 nan 8.380 nan 0.000 0.514 21 S N -1.811 113.870 115.700 -0.033 0.000 2.496 21 S HA 0.070 4.539 4.470 -0.001 0.000 0.224 21 S C 1.200 175.747 174.600 -0.090 0.000 0.996 21 S CA 0.352 58.525 58.200 -0.044 0.000 0.927 21 S CB -0.355 62.824 63.200 -0.035 0.000 0.774 21 S HN 0.421 nan 8.310 nan 0.000 0.524 22 K N -0.234 120.053 120.400 -0.188 0.000 2.365 22 K HA 0.027 4.347 4.320 -0.001 0.000 0.199 22 K C -0.568 175.731 176.600 -0.502 0.000 1.045 22 K CA 0.618 56.689 56.287 -0.359 0.000 0.962 22 K CB 0.089 32.288 32.500 -0.502 0.000 0.759 22 K HN 0.396 nan 8.250 nan 0.000 0.469 23 Y N 0.344 120.557 120.300 -0.145 0.000 2.446 23 Y HA 0.177 4.727 4.550 -0.001 0.000 0.338 23 Y C 0.499 176.363 175.900 -0.060 0.000 1.055 23 Y CA -1.650 56.307 58.100 -0.238 0.000 1.101 23 Y CB 0.652 38.722 38.460 -0.650 0.000 1.221 23 Y HN -0.089 nan 8.280 nan 0.000 0.460 24 N N 0.546 119.455 118.700 0.349 0.000 2.395 24 N HA -0.118 4.621 4.740 -0.001 0.000 0.246 24 N C 1.091 176.574 175.510 -0.044 0.000 1.246 24 N CA 0.523 53.641 53.050 0.114 0.000 0.879 24 N CB 1.149 39.596 38.487 -0.067 0.000 1.098 24 N HN 0.768 nan 8.380 nan 0.000 0.444 25 S N 2.749 118.422 115.700 -0.045 0.000 2.515 25 S HA -0.095 4.375 4.470 -0.001 0.000 0.231 25 S C 1.899 176.428 174.600 -0.119 0.000 0.987 25 S CA 0.091 58.248 58.200 -0.071 0.000 0.936 25 S CB -0.211 62.971 63.200 -0.031 0.000 0.766 25 S HN 0.603 nan 8.310 nan 0.000 0.528 26 I N 1.732 122.200 120.570 -0.169 0.000 2.151 26 I HA -0.188 3.981 4.170 -0.001 0.000 0.243 26 I C 1.851 177.819 176.117 -0.248 0.000 1.080 26 I CA 1.620 62.795 61.300 -0.208 0.000 1.339 26 I CB -0.285 37.524 38.000 -0.318 0.000 1.039 26 I HN 0.339 nan 8.210 nan 0.000 0.409 27 L N 0.571 121.594 121.223 -0.332 0.000 2.189 27 L HA -0.259 4.080 4.340 -0.001 0.000 0.214 27 L C 2.248 178.966 176.870 -0.252 0.000 1.097 27 L CA 1.107 55.716 54.840 -0.385 0.000 0.764 27 L CB -1.000 40.690 42.059 -0.616 0.000 0.900 27 L HN 0.404 nan 8.230 nan 0.000 0.436 28 N N 0.514 119.101 118.700 -0.189 0.000 2.069 28 N HA -0.178 4.561 4.740 -0.001 0.000 0.191 28 N C 1.877 177.345 175.510 -0.069 0.000 1.031 28 N CA 1.510 54.496 53.050 -0.106 0.000 0.852 28 N CB -0.273 38.166 38.487 -0.079 0.000 1.018 28 N HN 0.331 nan 8.380 nan 0.000 0.423 29 I N 1.358 121.883 120.570 -0.075 0.000 2.163 29 I HA -0.285 3.885 4.170 -0.001 0.000 0.243 29 I C 2.409 178.502 176.117 -0.041 0.000 1.085 29 I CA 1.238 62.510 61.300 -0.047 0.000 1.347 29 I CB -0.392 37.581 38.000 -0.045 0.000 1.044 29 I HN 0.070 nan 8.210 nan 0.000 0.408 30 A N 1.026 123.792 122.820 -0.089 0.000 1.865 30 A HA -0.193 4.126 4.320 -0.001 0.000 0.217 30 A C 2.328 179.912 177.584 -0.000 0.000 1.191 30 A CA 1.551 53.537 52.037 -0.086 0.000 0.623 30 A CB -1.041 17.827 19.000 -0.219 0.000 0.826 30 A HN 0.388 nan 8.150 nan 0.000 0.444 31 L N -0.736 120.488 121.223 0.002 0.000 2.129 31 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 31 L C 2.698 179.651 176.870 0.140 0.000 1.087 31 L CA 2.024 56.926 54.840 0.103 0.000 0.757 31 L CB -0.354 41.756 42.059 0.085 0.000 0.896 31 L HN 0.506 nan 8.230 nan 0.000 0.434 32 K N -0.066 120.370 120.400 0.059 0.000 2.031 32 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 32 K C 1.889 178.509 176.600 0.033 0.000 1.049 32 K CA 1.238 57.545 56.287 0.032 0.000 0.939 32 K CB 0.066 32.570 32.500 0.007 0.000 0.717 32 K HN 0.260 nan 8.250 nan 0.000 0.438 33 N N 0.722 119.453 118.700 0.052 0.000 2.205 33 N HA -0.182 4.557 4.740 -0.001 0.000 0.186 33 N C 1.530 177.095 175.510 0.092 0.000 1.015 33 N CA 0.906 53.994 53.050 0.062 0.000 0.862 33 N CB -0.429 38.100 38.487 0.069 0.000 0.986 33 N HN 0.179 nan 8.380 nan 0.000 0.429 34 F N 2.395 122.320 119.950 -0.042 0.000 2.069 34 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 34 F C 2.202 177.941 175.800 -0.100 0.000 1.113 34 F CA 1.442 59.405 58.000 -0.062 0.000 1.214 34 F CB -0.309 38.651 39.000 -0.068 0.000 0.978 34 F HN -0.104 nan 8.300 nan 0.000 0.474 35 R N -0.201 120.128 120.500 -0.285 0.000 2.105 35 R HA -0.181 4.158 4.340 -0.001 0.000 0.239 35 R C 2.175 178.271 176.300 -0.341 0.000 1.135 35 R CA 1.592 57.449 56.100 -0.404 0.000 0.967 35 R CB -0.821 29.362 30.300 -0.195 0.000 0.861 35 R HN 0.352 nan 8.270 nan 0.000 0.442 36 L N 0.260 121.353 121.223 -0.218 0.000 2.093 36 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 36 L C 2.404 179.124 176.870 -0.250 0.000 1.085 36 L CA 1.485 56.190 54.840 -0.225 0.000 0.755 36 L CB -0.498 41.500 42.059 -0.102 0.000 0.904 36 L HN 0.242 nan 8.230 nan 0.000 0.435 37 C N -0.242 118.974 119.300 -0.141 0.000 2.422 37 C HA -0.139 4.320 4.460 -0.001 0.000 0.279 37 C C 2.623 177.529 174.990 -0.139 0.000 1.305 37 C CA 0.701 59.697 59.018 -0.036 0.000 1.757 37 C CB -0.937 26.831 27.740 0.047 0.000 1.962 37 C HN 0.452 nan 8.230 nan 0.000 0.499 38 K N -0.112 120.029 120.400 -0.431 0.000 2.555 38 K HA -0.016 4.304 4.320 -0.001 0.000 0.193 38 K C 1.837 178.261 176.600 -0.294 0.000 1.032 38 K CA 0.566 56.455 56.287 -0.663 0.000 1.004 38 K CB 0.117 31.978 32.500 -1.064 0.000 0.804 38 K HN 0.466 nan 8.250 nan 0.000 0.496 39 K N -0.445 119.817 120.400 -0.229 0.000 2.286 39 K HA 0.061 4.380 4.320 -0.001 0.000 0.203 39 K C 1.563 178.121 176.600 -0.070 0.000 1.078 39 K CA 0.634 56.819 56.287 -0.168 0.000 0.957 39 K CB -0.066 32.275 32.500 -0.264 0.000 1.018 39 K HN 0.128 nan 8.250 nan 0.000 0.484 40 H N 2.534 121.611 119.070 0.013 0.000 2.557 40 H HA -0.068 4.488 4.556 -0.001 0.000 0.287 40 H C 0.051 175.434 175.328 0.092 0.000 1.043 40 H CA 0.547 56.622 56.048 0.045 0.000 1.226 40 H CB -0.551 29.238 29.762 0.045 0.000 1.361 40 H HN 0.228 nan 8.280 nan 0.000 0.592 41 K N 1.972 122.507 120.400 0.225 0.000 2.530 41 K HA 0.026 4.346 4.320 -0.001 0.000 0.280 41 K C -0.008 176.689 176.600 0.161 0.000 1.004 41 K CA 0.582 57.018 56.287 0.248 0.000 1.071 41 K CB 0.191 32.782 32.500 0.152 0.000 0.876 41 K HN 0.079 nan 8.250 nan 0.000 0.487 42 T N -0.762 113.902 114.554 0.183 0.000 2.903 42 T HA 0.269 4.619 4.350 -0.001 0.000 0.299 42 T C 0.613 175.379 174.700 0.110 0.000 1.093 42 T CA -1.284 60.882 62.100 0.110 0.000 1.002 42 T CB 1.590 70.514 68.868 0.093 0.000 1.127 42 T HN 0.623 nan 8.240 nan 0.000 0.488 43 K N 0.561 120.994 120.400 0.056 0.000 2.442 43 K HA -0.097 4.222 4.320 -0.001 0.000 0.200 43 K C 0.128 176.763 176.600 0.058 0.000 1.045 43 K CA 0.754 57.066 56.287 0.042 0.000 0.937 43 K CB -0.640 31.871 32.500 0.019 0.000 0.757 43 K HN 0.593 nan 8.250 nan 0.000 0.474 44 K N 3.275 123.716 120.400 0.070 0.000 2.448 44 K HA 0.081 4.400 4.320 -0.001 0.000 0.278 44 K C -2.182 174.460 176.600 0.069 0.000 1.009 44 K CA -1.489 54.835 56.287 0.061 0.000 0.995 44 K CB 0.004 32.538 32.500 0.056 0.000 0.917 44 K HN 0.080 nan 8.250 nan 0.000 0.481 45 P HA -0.042 nan 4.420 nan 0.000 0.268 45 P C -0.588 176.724 177.300 0.021 0.000 1.204 45 P CA -0.170 62.955 63.100 0.041 0.000 0.768 45 P CB 0.721 32.448 31.700 0.046 0.000 0.842 46 V N 0.607 120.513 119.914 -0.013 0.000 3.102 46 V HA 0.571 4.690 4.120 -0.001 0.000 0.312 46 V C -0.867 175.220 176.094 -0.012 0.000 1.135 46 V CA -0.981 61.273 62.300 -0.078 0.000 1.022 46 V CB 2.156 33.796 31.823 -0.305 0.000 1.056 46 V HN 0.409 nan 8.190 nan 0.000 0.436 47 Q N 1.454 121.234 119.800 -0.033 0.000 2.339 47 Q HA 0.486 4.825 4.340 -0.001 0.000 0.268 47 Q C 0.219 176.201 176.000 -0.031 0.000 1.027 47 Q CA -0.763 55.035 55.803 -0.008 0.000 0.759 47 Q CB 2.075 30.804 28.738 -0.015 0.000 1.244 47 Q HN 0.756 nan 8.270 nan 0.000 0.464 48 I N 1.849 122.407 120.570 -0.020 0.000 2.236 48 I HA -0.291 3.878 4.170 -0.001 0.000 0.249 48 I C 1.586 177.722 176.117 0.032 0.000 1.102 48 I CA 1.385 62.683 61.300 -0.003 0.000 1.365 48 I CB -0.035 37.954 38.000 -0.018 0.000 1.051 48 I HN 0.613 nan 8.210 nan 0.000 0.420 49 L N -0.464 120.763 121.223 0.006 0.000 2.622 49 L HA 0.030 4.370 4.340 -0.001 0.000 0.233 49 L C 1.966 178.818 176.870 -0.030 0.000 1.156 49 L CA 1.296 56.153 54.840 0.029 0.000 0.866 49 L CB -0.707 41.345 42.059 -0.012 0.000 0.980 49 L HN 0.239 nan 8.230 nan 0.000 0.448 50 A N -2.104 120.706 122.820 -0.017 0.000 2.070 50 A HA 0.206 4.525 4.320 -0.001 0.000 0.202 50 A C 1.964 179.554 177.584 0.010 0.000 1.277 50 A CA 0.038 52.056 52.037 -0.030 0.000 0.872 50 A CB -0.138 18.841 19.000 -0.033 0.000 0.933 50 A HN 0.268 nan 8.150 nan 0.000 0.475 51 L N -0.396 120.844 121.223 0.029 0.000 2.056 51 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 51 L C 2.292 179.240 176.870 0.130 0.000 1.078 51 L CA 0.748 55.627 54.840 0.065 0.000 0.749 51 L CB -0.504 41.583 42.059 0.047 0.000 0.901 51 L HN 0.280 nan 8.230 nan 0.000 0.433 52 L N -0.213 121.120 121.223 0.182 0.000 2.081 52 L HA -0.253 4.087 4.340 -0.001 0.000 0.212 52 L C 2.795 179.853 176.870 0.313 0.000 1.080 52 L CA 1.676 56.693 54.840 0.295 0.000 0.754 52 L CB -0.919 41.437 42.059 0.494 0.000 0.893 52 L HN 0.336 nan 8.230 nan 0.000 0.433 53 Q N -0.536 119.372 119.800 0.180 0.000 2.135 53 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 53 Q C 2.048 178.119 176.000 0.118 0.000 0.981 53 Q CA 1.560 57.422 55.803 0.098 0.000 0.856 53 Q CB -0.298 28.413 28.738 -0.045 0.000 0.902 53 Q HN 0.645 nan 8.270 nan 0.000 0.425 54 E N 0.041 120.303 120.200 0.104 0.000 2.208 54 E HA -0.036 4.313 4.350 -0.001 0.000 0.193 54 E C 2.001 178.669 176.600 0.113 0.000 0.988 54 E CA 0.408 56.865 56.400 0.095 0.000 0.828 54 E CB 0.115 29.866 29.700 0.085 0.000 0.763 54 E HN 0.330 nan 8.360 nan 0.000 0.478 55 I N 0.822 121.477 120.570 0.141 0.000 2.405 55 I HA -0.070 4.099 4.170 -0.001 0.000 0.236 55 I C 0.969 177.137 176.117 0.085 0.000 1.071 55 I CA 0.318 61.697 61.300 0.131 0.000 1.398 55 I CB 0.136 38.239 38.000 0.172 0.000 1.162 55 I HN -0.077 nan 8.210 nan 0.000 0.432 56 I N 3.845 124.477 120.570 0.104 0.000 2.421 56 I HA 0.083 4.253 4.170 -0.001 0.000 0.291 56 I C -2.059 174.121 176.117 0.106 0.000 1.089 56 I CA -1.661 59.649 61.300 0.015 0.000 1.354 56 I CB -0.069 37.930 38.000 -0.001 0.000 1.413 56 I HN -0.010 nan 8.210 nan 0.000 0.513 57 P HA 0.011 nan 4.420 nan 0.000 0.271 57 P C 0.244 177.649 177.300 0.174 0.000 1.216 57 P CA -0.379 62.776 63.100 0.093 0.000 0.776 57 P CB 1.037 32.764 31.700 0.044 0.000 0.881 58 K N 1.711 122.240 120.400 0.215 0.000 2.280 58 K HA -0.080 4.240 4.320 -0.001 0.000 0.202 58 K C 1.471 178.217 176.600 0.243 0.000 1.047 58 K CA 1.089 57.553 56.287 0.295 0.000 0.942 58 K CB -0.183 32.444 32.500 0.212 0.000 0.739 58 K HN 0.323 nan 8.250 nan 0.000 0.457 59 S N 0.156 115.955 115.700 0.164 0.000 2.537 59 S HA -0.149 4.321 4.470 -0.001 0.000 0.240 59 S C 1.152 175.855 174.600 0.173 0.000 0.981 59 S CA 0.736 59.020 58.200 0.140 0.000 0.948 59 S CB -0.282 62.980 63.200 0.103 0.000 0.759 59 S HN 0.458 nan 8.310 nan 0.000 0.531 60 Y N 0.611 120.904 120.300 -0.013 0.000 2.301 60 Y HA 0.142 4.691 4.550 -0.001 0.000 0.295 60 Y C 1.343 177.216 175.900 -0.044 0.000 1.119 60 Y CA 0.921 58.953 58.100 -0.114 0.000 1.162 60 Y CB -0.153 38.005 38.460 -0.504 0.000 1.046 60 Y HN 0.200 nan 8.280 nan 0.000 0.538 61 F N -0.214 119.821 119.950 0.141 0.000 2.473 61 F HA 0.242 4.768 4.527 -0.001 0.000 0.294 61 F C 2.234 178.032 175.800 -0.003 0.000 1.103 61 F CA 1.115 59.138 58.000 0.037 0.000 1.442 61 F CB -0.385 38.709 39.000 0.158 0.000 1.097 61 F HN 0.247 nan 8.300 nan 0.000 0.547 62 G N -0.056 108.856 108.800 0.186 0.000 5.045 62 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.229 62 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.229 62 G C 0.473 175.435 174.900 0.104 0.000 1.440 62 G CA 0.287 45.445 45.100 0.096 0.000 0.936 62 G HN 0.499 nan 8.290 nan 0.000 0.690 63 T N -1.807 112.806 114.554 0.097 0.000 2.918 63 T HA 0.643 4.993 4.350 -0.001 0.000 0.286 63 T C 1.117 175.855 174.700 0.063 0.000 1.026 63 T CA 0.729 62.867 62.100 0.063 0.000 1.031 63 T CB 1.795 70.677 68.868 0.023 0.000 1.046 63 T HN 0.411 nan 8.240 nan 0.000 0.479 64 T N 1.836 116.411 114.554 0.035 0.000 2.721 64 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 64 T C 2.066 176.744 174.700 -0.036 0.000 1.038 64 T CA 2.355 64.458 62.100 0.004 0.000 1.145 64 T CB -0.769 68.096 68.868 -0.006 0.000 0.858 64 T HN 0.818 nan 8.240 nan 0.000 0.459 65 T N 2.339 116.869 114.554 -0.040 0.000 2.652 65 T HA -0.130 4.219 4.350 -0.001 0.000 0.267 65 T C 2.066 176.682 174.700 -0.140 0.000 1.039 65 T CA 1.166 63.219 62.100 -0.079 0.000 1.153 65 T CB -0.424 68.403 68.868 -0.068 0.000 0.863 65 T HN 0.383 nan 8.240 nan 0.000 0.428 66 N N 1.227 119.858 118.700 -0.115 0.000 2.104 66 N HA -0.060 4.680 4.740 -0.001 0.000 0.190 66 N C 1.924 177.314 175.510 -0.199 0.000 1.024 66 N CA 0.846 53.807 53.050 -0.147 0.000 0.853 66 N CB -0.557 37.989 38.487 0.098 0.000 1.008 66 N HN 0.323 nan 8.380 nan 0.000 0.424 67 L N 1.505 122.567 121.223 -0.268 0.000 2.042 67 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 67 L C 2.114 178.827 176.870 -0.262 0.000 1.076 67 L CA 1.574 55.988 54.840 -0.711 0.000 0.749 67 L CB -0.079 41.834 42.059 -0.243 0.000 0.893 67 L HN 0.056 nan 8.230 nan 0.000 0.432 68 K N -0.780 119.540 120.400 -0.133 0.000 2.103 68 K HA -0.105 4.215 4.320 -0.001 0.000 0.204 68 K C 2.188 178.751 176.600 -0.060 0.000 1.052 68 K CA 0.964 57.219 56.287 -0.053 0.000 0.945 68 K CB -0.101 32.359 32.500 -0.066 0.000 0.722 68 K HN 0.320 nan 8.250 nan 0.000 0.443 69 R N -0.081 120.325 120.500 -0.158 0.000 2.105 69 R HA -0.160 4.179 4.340 -0.001 0.000 0.239 69 R C 2.177 178.455 176.300 -0.038 0.000 1.135 69 R CA 1.542 57.522 56.100 -0.201 0.000 0.967 69 R CB -0.278 29.688 30.300 -0.558 0.000 0.861 69 R HN 0.208 nan 8.270 nan 0.000 0.442 70 F N -0.261 119.614 119.950 -0.125 0.000 2.179 70 F HA -0.086 4.441 4.527 -0.001 0.000 0.292 70 F C 1.584 177.328 175.800 -0.093 0.000 1.089 70 F CA 0.990 58.993 58.000 0.004 0.000 1.295 70 F CB -0.315 38.737 39.000 0.087 0.000 1.041 70 F HN -0.118 nan 8.300 nan 0.000 0.487 71 Y N 0.951 121.216 120.300 -0.060 0.000 2.569 71 Y HA -0.118 4.431 4.550 -0.001 0.000 0.293 71 Y C 2.186 177.988 175.900 -0.164 0.000 1.144 71 Y CA 1.068 59.090 58.100 -0.129 0.000 1.321 71 Y CB -0.421 38.011 38.460 -0.047 0.000 0.982 71 Y HN 0.061 nan 8.280 nan 0.000 0.558 72 K N -0.566 119.815 120.400 -0.032 0.000 2.057 72 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 72 K C 1.934 178.468 176.600 -0.109 0.000 1.050 72 K CA 1.451 57.707 56.287 -0.052 0.000 0.935 72 K CB -0.282 32.197 32.500 -0.036 0.000 0.715 72 K HN 0.112 nan 8.250 nan 0.000 0.439 73 V N 1.102 120.898 119.914 -0.196 0.000 2.407 73 V HA -0.220 3.900 4.120 -0.001 0.000 0.248 73 V C 2.250 178.198 176.094 -0.243 0.000 1.055 73 V CA 1.419 63.587 62.300 -0.220 0.000 1.049 73 V CB -0.419 31.234 31.823 -0.284 0.000 0.662 73 V HN 0.076 nan 8.190 nan 0.000 0.455 74 V N 0.133 119.848 119.914 -0.332 0.000 2.295 74 V HA -0.318 3.802 4.120 -0.001 0.000 0.246 74 V C 2.459 178.471 176.094 -0.136 0.000 1.049 74 V CA 2.392 64.555 62.300 -0.229 0.000 1.024 74 V CB -0.656 31.065 31.823 -0.170 0.000 0.648 74 V HN 0.656 nan 8.190 nan 0.000 0.447 75 E N -0.007 120.137 120.200 -0.094 0.000 2.160 75 E HA -0.238 4.112 4.350 -0.001 0.000 0.195 75 E C 2.238 178.792 176.600 -0.077 0.000 0.991 75 E CA 1.023 57.378 56.400 -0.074 0.000 0.810 75 E CB 0.030 29.705 29.700 -0.042 0.000 0.742 75 E HN 0.440 nan 8.360 nan 0.000 0.466 76 K N 0.299 120.650 120.400 -0.081 0.000 2.057 76 K HA -0.133 4.187 4.320 -0.001 0.000 0.207 76 K C 2.174 178.730 176.600 -0.073 0.000 1.049 76 K CA 1.188 57.433 56.287 -0.069 0.000 0.931 76 K CB -0.265 32.184 32.500 -0.085 0.000 0.714 76 K HN 0.340 nan 8.250 nan 0.000 0.440 77 I N 1.121 121.628 120.570 -0.105 0.000 2.315 77 I HA -0.237 3.932 4.170 -0.001 0.000 0.248 77 I C 2.212 178.241 176.117 -0.146 0.000 1.117 77 I CA 0.907 62.143 61.300 -0.107 0.000 1.404 77 I CB -0.298 37.626 38.000 -0.127 0.000 1.071 77 I HN 0.024 nan 8.210 nan 0.000 0.419 78 L N 0.291 121.381 121.223 -0.221 0.000 2.201 78 L HA -0.083 4.256 4.340 -0.001 0.000 0.212 78 L C 0.979 177.763 176.870 -0.143 0.000 1.105 78 L CA 1.127 55.738 54.840 -0.383 0.000 0.775 78 L CB -0.577 41.298 42.059 -0.307 0.000 0.913 78 L HN 0.391 nan 8.230 nan 0.000 0.440 79 T N -2.514 112.047 114.554 0.011 0.000 3.514 79 T HA 0.350 4.699 4.350 -0.001 0.000 0.259 79 T C -0.243 174.544 174.700 0.144 0.000 1.466 79 T CA -0.787 61.388 62.100 0.126 0.000 1.562 79 T CB 0.248 69.153 68.868 0.061 0.000 0.924 79 T HN 0.243 nan 8.240 nan 0.000 0.678 80 Q N 0.232 120.161 119.800 0.216 0.000 2.204 80 Q HA 0.816 5.156 4.340 -0.001 0.000 0.254 80 Q C -0.841 175.289 176.000 0.217 0.000 0.981 80 Q CA -0.974 54.915 55.803 0.143 0.000 0.897 80 Q CB 1.370 30.160 28.738 0.085 0.000 1.273 80 Q HN 0.201 nan 8.270 nan 0.000 0.464 81 S N 0.583 116.382 115.700 0.166 0.000 2.638 81 S HA 0.389 4.859 4.470 -0.001 0.000 0.298 81 S C -0.571 174.087 174.600 0.097 0.000 1.111 81 S CA -0.956 57.397 58.200 0.254 0.000 1.027 81 S CB 1.710 65.091 63.200 0.302 0.000 1.064 81 S HN 0.602 nan 8.310 nan 0.000 0.525 82 S N 1.249 116.987 115.700 0.063 0.000 2.546 82 S HA 0.219 4.688 4.470 -0.001 0.000 0.290 82 S C -0.016 174.502 174.600 -0.137 0.000 1.290 82 S CA 0.160 58.256 58.200 -0.173 0.000 1.069 82 S CB -0.673 62.407 63.200 -0.199 0.000 0.846 82 S HN 0.694 nan 8.310 nan 0.000 0.495 83 F N -1.334 118.549 119.950 -0.112 0.000 2.411 83 F HA -0.166 4.361 4.527 -0.001 0.000 0.393 83 F C 0.672 176.457 175.800 -0.025 0.000 0.576 83 F CA 0.542 58.487 58.000 -0.092 0.000 1.609 83 F CB -1.412 37.498 39.000 -0.151 0.000 2.186 83 F HN 0.575 nan 8.300 nan 0.000 0.274 84 E N 1.087 121.329 120.200 0.069 0.000 2.354 84 E HA 0.478 4.828 4.350 -0.001 0.000 0.269 84 E C -0.178 176.225 176.600 -0.329 0.000 1.036 84 E CA 0.451 56.838 56.400 -0.022 0.000 0.876 84 E CB 1.086 30.789 29.700 0.004 0.000 1.009 84 E HN 0.397 nan 8.360 nan 0.000 0.416 85 C N 3.507 122.322 119.300 -0.808 0.000 3.318 85 C HA 0.678 5.137 4.460 -0.001 0.000 0.322 85 C C -0.408 173.649 174.990 -1.556 0.000 1.398 85 C CA -1.146 57.343 59.018 -0.881 0.000 1.339 85 C CB 0.440 27.871 27.740 -0.515 0.000 1.668 85 C HN 0.693 nan 8.230 nan 0.000 0.462 86 I N -1.454 118.543 120.570 -0.956 0.000 3.170 86 I HA 0.604 4.774 4.170 -0.001 0.000 0.312 86 I C -0.772 175.017 176.117 -0.546 0.000 1.085 86 I CA -0.536 60.208 61.300 -0.926 0.000 0.999 86 I CB 0.933 38.691 38.000 -0.403 0.000 1.233 86 I HN 0.890 nan 8.210 nan 0.000 0.467 87 H N 2.041 120.955 119.070 -0.259 0.000 2.767 87 H HA 0.329 4.884 4.556 -0.001 0.000 0.316 87 H C 1.006 176.333 175.328 -0.003 0.000 1.059 87 H CA -0.066 55.960 56.048 -0.038 0.000 1.461 87 H CB 1.187 30.872 29.762 -0.129 0.000 1.475 87 H HN 0.481 nan 8.280 nan 0.000 0.531 88 L N 1.910 123.248 121.223 0.191 0.000 2.189 88 L HA -0.258 4.081 4.340 -0.001 0.000 0.214 88 L C 2.328 179.205 176.870 0.011 0.000 1.097 88 L CA 1.501 56.408 54.840 0.113 0.000 0.764 88 L CB -0.440 41.712 42.059 0.155 0.000 0.900 88 L HN 0.707 nan 8.230 nan 0.000 0.436 89 S N -1.221 114.462 115.700 -0.028 0.000 2.400 89 S HA -0.189 4.280 4.470 -0.001 0.000 0.232 89 S C 1.955 176.328 174.600 -0.379 0.000 1.025 89 S CA 1.196 59.180 58.200 -0.360 0.000 0.993 89 S CB -0.887 62.212 63.200 -0.168 0.000 0.808 89 S HN 0.244 nan 8.310 nan 0.000 0.478 90 V N 1.532 121.386 119.914 -0.100 0.000 2.867 90 V HA 0.049 4.169 4.120 -0.001 0.000 0.260 90 V C 1.925 178.091 176.094 0.120 0.000 1.099 90 V CA 1.290 63.597 62.300 0.012 0.000 1.122 90 V CB -0.647 31.201 31.823 0.043 0.000 0.708 90 V HN 0.606 nan 8.190 nan 0.000 0.490 91 L N 0.342 121.585 121.223 0.034 0.000 2.478 91 L HA 0.022 4.361 4.340 -0.001 0.000 0.223 91 L C 1.996 178.812 176.870 -0.089 0.000 1.140 91 L CA 1.361 56.258 54.840 0.095 0.000 0.842 91 L CB -0.449 41.645 42.059 0.058 0.000 0.953 91 L HN 0.660 nan 8.230 nan 0.000 0.452 92 H N -3.029 116.044 119.070 0.005 0.000 3.771 92 H HA 0.249 4.804 4.556 -0.001 0.000 0.260 92 H C 0.281 175.758 175.328 0.249 0.000 1.158 92 H CA -0.554 55.461 56.048 -0.055 0.000 1.170 92 H CB 0.534 30.334 29.762 0.063 0.000 1.539 92 H HN 0.083 nan 8.280 nan 0.000 0.634 93 K N 1.224 121.733 120.400 0.181 0.000 2.270 93 K HA 0.235 4.554 4.320 -0.001 0.000 0.276 93 K C 0.120 176.927 176.600 0.344 0.000 1.023 93 K CA 0.572 57.019 56.287 0.265 0.000 0.955 93 K CB 1.358 33.901 32.500 0.072 0.000 0.975 93 K HN 0.436 nan 8.250 nan 0.000 0.471 94 C N 1.230 120.703 119.300 0.288 0.000 5.863 94 C HA -0.210 4.250 4.460 -0.001 0.000 0.319 94 C C 0.621 175.707 174.990 0.159 0.000 2.357 94 C CA 0.012 59.137 59.018 0.178 0.000 2.115 94 C CB -2.568 25.218 27.740 0.076 0.000 3.146 94 C HN 0.899 nan 8.230 nan 0.000 0.319 95 Y N 2.241 122.543 120.300 0.003 0.000 2.944 95 Y HA 0.077 4.626 4.550 -0.001 0.000 0.340 95 Y C 0.812 176.590 175.900 -0.203 0.000 1.275 95 Y CA 1.252 59.244 58.100 -0.180 0.000 1.590 95 Y CB 0.206 38.404 38.460 -0.438 0.000 1.218 95 Y HN 0.328 nan 8.280 nan 0.000 0.576 96 D N 3.860 124.237 120.400 -0.039 0.000 2.385 96 D HA -0.091 4.549 4.640 -0.001 0.000 0.260 96 D C 0.174 176.442 176.300 -0.055 0.000 1.326 96 D CA 0.443 54.437 54.000 -0.009 0.000 1.023 96 D CB -0.195 40.594 40.800 -0.018 0.000 1.083 96 D HN 0.492 nan 8.370 nan 0.000 0.517 97 Y N 1.434 121.735 120.300 0.002 0.000 2.571 97 Y HA -0.087 4.462 4.550 -0.001 0.000 0.294 97 Y C 1.822 177.654 175.900 -0.114 0.000 1.141 97 Y CA 0.565 58.621 58.100 -0.073 0.000 1.308 97 Y CB 0.305 38.718 38.460 -0.078 0.000 1.002 97 Y HN 0.338 nan 8.280 nan 0.000 0.551 98 D N -0.636 119.793 120.400 0.048 0.000 2.162 98 D HA -0.033 4.607 4.640 -0.001 0.000 0.205 98 D C 2.131 178.407 176.300 -0.040 0.000 0.964 98 D CA 1.140 55.138 54.000 -0.004 0.000 0.847 98 D CB -0.296 40.508 40.800 0.006 0.000 0.988 98 D HN 0.213 nan 8.370 nan 0.000 0.480 99 A N 0.242 123.039 122.820 -0.038 0.000 2.248 99 A HA 0.033 4.353 4.320 -0.001 0.000 0.210 99 A C 0.974 178.516 177.584 -0.070 0.000 1.174 99 A CA 0.144 52.158 52.037 -0.037 0.000 0.750 99 A CB -0.545 18.446 19.000 -0.015 0.000 0.780 99 A HN 0.178 nan 8.150 nan 0.000 0.478 100 I N 0.525 121.006 120.570 -0.148 0.000 2.301 100 I HA 0.159 4.329 4.170 -0.001 0.000 0.292 100 I C -1.628 174.317 176.117 -0.286 0.000 1.046 100 I CA -1.949 59.186 61.300 -0.275 0.000 1.282 100 I CB 1.615 39.309 38.000 -0.511 0.000 1.409 100 I HN 0.036 nan 8.210 nan 0.000 0.484 101 P HA -0.185 nan 4.420 nan 0.000 0.213 101 P C 1.341 178.602 177.300 -0.066 0.000 1.170 101 P CA 1.361 64.428 63.100 -0.055 0.000 0.898 101 P CB -0.109 31.625 31.700 0.057 0.000 0.787 102 W N -0.699 120.538 121.300 -0.104 0.000 2.848 102 W HA 0.079 4.739 4.660 -0.001 0.000 0.241 102 W C 0.237 176.689 176.519 -0.113 0.000 1.289 102 W CA 0.385 57.668 57.345 -0.104 0.000 1.396 102 W CB -1.331 28.057 29.460 -0.120 0.000 1.138 102 W HN -0.011 nan 8.180 nan 0.000 0.677 103 L N 1.002 121.907 121.223 -0.530 0.000 3.122 103 L HA 0.117 4.456 4.340 -0.001 0.000 0.274 103 L C 2.282 179.002 176.870 -0.250 0.000 1.222 103 L CA -0.151 54.391 54.840 -0.497 0.000 1.028 103 L CB 0.132 41.710 42.059 -0.801 0.000 1.386 103 L HN -0.206 nan 8.230 nan 0.000 0.578 104 Q N 1.105 120.808 119.800 -0.162 0.000 2.036 104 Q HA -0.046 4.293 4.340 -0.001 0.000 0.195 104 Q C 1.312 177.270 176.000 -0.070 0.000 0.971 104 Q CA 1.470 57.213 55.803 -0.100 0.000 0.826 104 Q CB -0.180 28.516 28.738 -0.069 0.000 0.896 104 Q HN 0.627 nan 8.270 nan 0.000 0.449 105 N N -0.315 118.356 118.700 -0.048 0.000 2.466 105 N HA 0.040 4.779 4.740 -0.001 0.000 0.211 105 N C -0.762 174.725 175.510 -0.037 0.000 1.256 105 N CA 0.027 53.057 53.050 -0.033 0.000 0.840 105 N CB 0.116 38.594 38.487 -0.015 0.000 1.079 105 N HN -0.168 nan 8.380 nan 0.000 0.466 106 V N 0.354 120.232 119.914 -0.061 0.000 2.448 106 V HA 0.158 4.277 4.120 -0.001 0.000 0.295 106 V C 0.165 176.210 176.094 -0.082 0.000 1.025 106 V CA -1.051 61.209 62.300 -0.065 0.000 0.859 106 V CB 1.493 33.268 31.823 -0.080 0.000 0.988 106 V HN 0.220 nan 8.190 nan 0.000 0.431 107 E N 6.075 126.233 120.200 -0.071 0.000 2.820 107 E HA -0.072 4.278 4.350 -0.001 0.000 0.251 107 E C -1.552 174.983 176.600 -0.109 0.000 0.944 107 E CA -0.928 55.426 56.400 -0.078 0.000 0.955 107 E CB 0.888 30.547 29.700 -0.067 0.000 0.904 107 E HN 0.400 nan 8.360 nan 0.000 0.513 108 P HA -0.228 nan 4.420 nan 0.000 0.218 108 P C 0.726 177.906 177.300 -0.200 0.000 1.147 108 P CA 1.678 64.690 63.100 -0.148 0.000 0.827 108 P CB 0.212 31.845 31.700 -0.111 0.000 0.778 109 N N -0.948 117.658 118.700 -0.157 0.000 2.376 109 N HA -0.068 4.672 4.740 -0.001 0.000 0.177 109 N C 1.348 176.753 175.510 -0.175 0.000 1.024 109 N CA 0.819 53.771 53.050 -0.163 0.000 0.893 109 N CB -1.440 36.980 38.487 -0.112 0.000 0.980 109 N HN 0.148 nan 8.380 nan 0.000 0.439 110 L N -0.449 120.684 121.223 -0.150 0.000 2.599 110 L HA 0.229 4.568 4.340 -0.001 0.000 0.230 110 L C 2.125 178.904 176.870 -0.151 0.000 1.141 110 L CA 0.087 54.851 54.840 -0.127 0.000 0.877 110 L CB -0.104 41.905 42.059 -0.084 0.000 1.009 110 L HN 0.143 nan 8.230 nan 0.000 0.447 111 R N 0.408 120.769 120.500 -0.232 0.000 2.066 111 R HA -0.101 4.239 4.340 -0.001 0.000 0.232 111 R C -0.345 175.833 176.300 -0.202 0.000 1.131 111 R CA 1.143 57.096 56.100 -0.245 0.000 0.955 111 R CB -1.472 28.616 30.300 -0.353 0.000 0.851 111 R HN 0.267 nan 8.270 nan 0.000 0.432 112 P HA -0.207 nan 4.420 nan 0.000 0.214 112 P C 0.695 177.857 177.300 -0.230 0.000 1.169 112 P CA 1.547 64.459 63.100 -0.314 0.000 0.908 112 P CB -0.009 31.422 31.700 -0.449 0.000 0.791 113 K N -1.078 119.188 120.400 -0.222 0.000 2.211 113 K HA -0.054 4.266 4.320 -0.001 0.000 0.203 113 K C 2.140 178.759 176.600 0.033 0.000 1.050 113 K CA 0.815 57.033 56.287 -0.114 0.000 0.945 113 K CB -0.583 31.862 32.500 -0.091 0.000 0.732 113 K HN 0.147 nan 8.250 nan 0.000 0.451 114 L N 0.480 121.735 121.223 0.053 0.000 2.023 114 L HA -0.185 4.155 4.340 -0.001 0.000 0.205 114 L C 2.320 179.388 176.870 0.330 0.000 1.073 114 L CA 0.646 55.600 54.840 0.189 0.000 0.745 114 L CB -0.272 41.852 42.059 0.108 0.000 0.900 114 L HN 0.138 nan 8.230 nan 0.000 0.435 115 L N -0.224 121.117 121.223 0.196 0.000 2.042 115 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 115 L C 2.316 179.323 176.870 0.229 0.000 1.076 115 L CA 1.658 56.617 54.840 0.199 0.000 0.749 115 L CB -0.467 41.571 42.059 -0.035 0.000 0.893 115 L HN 0.218 nan 8.230 nan 0.000 0.432 116 L N -0.387 120.954 121.223 0.197 0.000 1.989 116 L HA -0.284 4.055 4.340 -0.001 0.000 0.211 116 L C 2.628 179.630 176.870 0.221 0.000 1.071 116 L CA 2.184 57.148 54.840 0.208 0.000 0.749 116 L CB -0.565 41.636 42.059 0.237 0.000 0.890 116 L HN 0.311 nan 8.230 nan 0.000 0.431 117 K N -1.460 119.101 120.400 0.269 0.000 2.152 117 K HA -0.213 4.106 4.320 -0.001 0.000 0.206 117 K C 1.981 178.784 176.600 0.337 0.000 1.048 117 K CA 1.653 58.121 56.287 0.302 0.000 0.933 117 K CB -0.158 32.522 32.500 0.299 0.000 0.721 117 K HN 0.635 nan 8.250 nan 0.000 0.447 118 H N -0.635 118.590 119.070 0.260 0.000 2.344 118 H HA 0.025 4.580 4.556 -0.001 0.000 0.307 118 H C 1.792 177.187 175.328 0.112 0.000 1.057 118 H CA 1.128 57.271 56.048 0.158 0.000 1.373 118 H CB -0.046 29.825 29.762 0.181 0.000 1.421 118 H HN 0.351 nan 8.280 nan 0.000 0.532 119 N N 0.847 119.730 118.700 0.304 0.000 2.091 119 N HA -0.165 4.575 4.740 -0.001 0.000 0.193 119 N C 2.036 177.661 175.510 0.191 0.000 1.021 119 N CA 0.651 53.841 53.050 0.232 0.000 0.862 119 N CB -0.020 38.645 38.487 0.298 0.000 1.018 119 N HN 0.158 nan 8.380 nan 0.000 0.429 120 L N -0.113 121.165 121.223 0.092 0.000 2.012 120 L HA -0.216 4.123 4.340 -0.001 0.000 0.210 120 L C 2.155 179.006 176.870 -0.032 0.000 1.073 120 L CA 1.190 56.002 54.840 -0.045 0.000 0.748 120 L CB -0.457 41.581 42.059 -0.036 0.000 0.891 120 L HN 0.200 nan 8.230 nan 0.000 0.431 121 F N 0.483 120.329 119.950 -0.175 0.000 2.043 121 F HA -0.322 4.205 4.527 -0.001 0.000 0.297 121 F C 2.307 177.943 175.800 -0.273 0.000 1.121 121 F CA 1.812 59.622 58.000 -0.317 0.000 1.199 121 F CB -0.295 38.336 39.000 -0.616 0.000 0.968 121 F HN -0.118 nan 8.300 nan 0.000 0.478 122 L N -0.638 120.565 121.223 -0.034 0.000 1.990 122 L HA -0.300 4.039 4.340 -0.001 0.000 0.213 122 L C 2.461 179.277 176.870 -0.090 0.000 1.072 122 L CA 1.059 55.825 54.840 -0.123 0.000 0.755 122 L CB -0.977 40.974 42.059 -0.180 0.000 0.889 122 L HN 0.224 nan 8.230 nan 0.000 0.432 123 L N -0.281 120.968 121.223 0.042 0.000 2.013 123 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 123 L C 2.157 179.004 176.870 -0.038 0.000 1.073 123 L CA 1.912 56.773 54.840 0.035 0.000 0.753 123 L CB -0.868 41.212 42.059 0.034 0.000 0.890 123 L HN 0.281 nan 8.230 nan 0.000 0.432 124 D N -1.747 118.587 120.400 -0.110 0.000 2.289 124 D HA -0.033 4.606 4.640 -0.001 0.000 0.207 124 D C 1.723 177.854 176.300 -0.283 0.000 0.966 124 D CA 0.506 54.427 54.000 -0.133 0.000 0.868 124 D CB 0.150 40.886 40.800 -0.107 0.000 0.943 124 D HN 0.410 nan 8.370 nan 0.000 0.514 125 N N -0.488 117.930 118.700 -0.469 0.000 2.463 125 N HA 0.106 4.845 4.740 -0.001 0.000 0.183 125 N C 1.374 176.491 175.510 -0.656 0.000 1.064 125 N CA 0.223 52.913 53.050 -0.601 0.000 0.879 125 N CB 1.275 39.129 38.487 -1.055 0.000 1.148 125 N HN 0.134 nan 8.380 nan 0.000 0.451 126 I N -0.288 119.896 120.570 -0.643 0.000 3.518 126 I HA 0.020 4.189 4.170 -0.001 0.000 0.260 126 I C 2.075 177.943 176.117 -0.417 0.000 1.148 126 I CA 0.255 61.004 61.300 -0.918 0.000 1.440 126 I CB -0.269 37.283 38.000 -0.748 0.000 1.485 126 I HN -0.273 nan 8.210 nan 0.000 0.456 127 V N 1.338 121.133 119.914 -0.198 0.000 2.219 127 V HA -0.339 3.780 4.120 -0.001 0.000 0.248 127 V C 2.460 178.532 176.094 -0.036 0.000 1.053 127 V CA 2.113 64.379 62.300 -0.057 0.000 1.009 127 V CB -0.806 31.008 31.823 -0.015 0.000 0.636 127 V HN 0.318 nan 8.190 nan 0.000 0.445 128 K N -0.280 120.092 120.400 -0.047 0.000 2.009 128 K HA -0.161 4.159 4.320 -0.001 0.000 0.210 128 K C 0.194 176.810 176.600 0.027 0.000 1.049 128 K CA 2.072 58.348 56.287 -0.019 0.000 0.929 128 K CB -1.444 31.042 32.500 -0.022 0.000 0.714 128 K HN 0.422 nan 8.250 nan 0.000 0.440 129 P HA -0.188 nan 4.420 nan 0.000 0.216 129 P C 1.409 178.870 177.300 0.269 0.000 1.153 129 P CA 1.192 64.361 63.100 0.116 0.000 0.858 129 P CB 0.049 31.793 31.700 0.072 0.000 0.789 130 I N -1.438 119.305 120.570 0.288 0.000 2.394 130 I HA -0.179 3.990 4.170 -0.001 0.000 0.251 130 I C 1.919 178.289 176.117 0.421 0.000 1.136 130 I CA 1.075 62.631 61.300 0.427 0.000 1.425 130 I CB -0.142 38.118 38.000 0.434 0.000 1.079 130 I HN -0.151 nan 8.210 nan 0.000 0.425 131 I N 0.870 121.590 120.570 0.250 0.000 2.142 131 I HA -0.285 3.884 4.170 -0.001 0.000 0.240 131 I C 2.688 178.981 176.117 0.294 0.000 1.078 131 I CA 1.495 62.916 61.300 0.200 0.000 1.343 131 I CB -0.546 37.448 38.000 -0.009 0.000 1.046 131 I HN 0.217 nan 8.210 nan 0.000 0.405 132 A N 0.156 123.117 122.820 0.236 0.000 2.015 132 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 132 A C 2.216 179.932 177.584 0.220 0.000 1.163 132 A CA 1.032 53.195 52.037 0.210 0.000 0.646 132 A CB -0.909 18.175 19.000 0.139 0.000 0.806 132 A HN 0.466 nan 8.150 nan 0.000 0.448 133 F N -0.890 119.145 119.950 0.142 0.000 2.095 133 F HA -0.215 4.311 4.527 -0.001 0.000 0.298 133 F C 2.086 177.872 175.800 -0.023 0.000 1.104 133 F CA 2.057 60.090 58.000 0.055 0.000 1.232 133 F CB -0.204 38.843 39.000 0.078 0.000 0.987 133 F HN 0.308 nan 8.300 nan 0.000 0.475 134 Y N -2.097 118.272 120.300 0.115 0.000 2.231 134 Y HA 0.008 4.557 4.550 -0.001 0.000 0.294 134 Y C 0.358 176.119 175.900 -0.231 0.000 1.120 134 Y CA 0.706 58.738 58.100 -0.114 0.000 1.141 134 Y CB -0.430 37.999 38.460 -0.053 0.000 1.022 134 Y HN -0.131 nan 8.280 nan 0.000 0.523 135 Y N 0.012 120.431 120.300 0.199 0.000 2.488 135 Y HA 0.443 4.993 4.550 -0.001 0.000 0.325 135 Y C -0.173 175.795 175.900 0.113 0.000 1.204 135 Y CA -1.244 56.953 58.100 0.162 0.000 1.229 135 Y CB 1.150 39.727 38.460 0.196 0.000 1.274 135 Y HN -0.331 nan 8.280 nan 0.000 0.493 136 K N 3.719 124.280 120.400 0.268 0.000 2.463 136 K HA 0.445 4.764 4.320 -0.001 0.000 0.255 136 K C -3.150 173.477 176.600 0.043 0.000 0.942 136 K CA -2.456 53.862 56.287 0.051 0.000 0.814 136 K CB 1.420 33.787 32.500 -0.222 0.000 1.122 136 K HN 0.157 nan 8.250 nan 0.000 0.425 137 P HA 0.245 nan 4.420 nan 0.000 0.275 137 P C -0.884 176.246 177.300 -0.283 0.000 1.227 137 P CA -0.285 62.616 63.100 -0.330 0.000 0.781 137 P CB 0.856 32.404 31.700 -0.254 0.000 0.906 138 I N 2.638 123.011 120.570 -0.328 0.000 2.512 138 I HA 0.261 4.430 4.170 -0.001 0.000 0.287 138 I C 0.288 176.285 176.117 -0.200 0.000 1.069 138 I CA -0.568 60.614 61.300 -0.196 0.000 1.056 138 I CB 2.078 40.013 38.000 -0.108 0.000 1.229 138 I HN 0.059 nan 8.210 nan 0.000 0.429 139 K N 3.482 123.796 120.400 -0.143 0.000 2.338 139 K HA 0.181 4.501 4.320 -0.001 0.000 0.290 139 K C 1.182 177.734 176.600 -0.080 0.000 1.069 139 K CA -0.003 56.217 56.287 -0.111 0.000 0.941 139 K CB 0.583 33.036 32.500 -0.077 0.000 1.023 139 K HN 0.753 nan 8.250 nan 0.000 0.477 140 T N 1.108 115.610 114.554 -0.087 0.000 3.113 140 T HA -0.065 4.285 4.350 -0.001 0.000 0.263 140 T C 1.076 175.744 174.700 -0.054 0.000 1.143 140 T CA 0.078 62.137 62.100 -0.067 0.000 1.090 140 T CB -0.095 68.732 68.868 -0.069 0.000 0.922 140 T HN 0.538 nan 8.240 nan 0.000 0.521 141 L N -0.506 120.689 121.223 -0.047 0.000 4.549 141 L HA -0.162 4.178 4.340 -0.001 0.000 0.390 141 L C 0.550 177.382 176.870 -0.065 0.000 0.767 141 L CA 1.215 56.027 54.840 -0.046 0.000 2.397 141 L CB -2.532 39.498 42.059 -0.048 0.000 1.175 141 L HN 0.541 nan 8.230 nan 0.000 0.633 142 N N 1.528 120.185 118.700 -0.072 0.000 2.819 142 N HA 0.350 5.090 4.740 -0.001 0.000 0.284 142 N C 1.157 176.637 175.510 -0.051 0.000 1.196 142 N CA 1.323 54.303 53.050 -0.117 0.000 1.114 142 N CB 0.059 38.437 38.487 -0.182 0.000 1.437 142 N HN 0.626 nan 8.380 nan 0.000 0.518 143 G N 2.332 111.077 108.800 -0.092 0.000 2.525 143 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.248 143 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.248 143 G C 0.095 174.931 174.900 -0.106 0.000 1.238 143 G CA -0.152 44.865 45.100 -0.138 0.000 0.926 143 G HN 0.800 nan 8.290 nan 0.000 0.574 144 H N 1.240 120.394 119.070 0.141 0.000 2.538 144 H HA 0.363 4.918 4.556 -0.001 0.000 0.286 144 H C 1.085 176.473 175.328 0.099 0.000 1.035 144 H CA 0.425 56.563 56.048 0.150 0.000 1.169 144 H CB 0.306 30.209 29.762 0.235 0.000 1.417 144 H HN 0.566 nan 8.280 nan 0.000 0.567 145 E N 1.671 121.903 120.200 0.053 0.000 2.413 145 E HA 0.085 4.435 4.350 -0.001 0.000 0.263 145 E C -0.618 175.841 176.600 -0.235 0.000 1.015 145 E CA 0.100 56.292 56.400 -0.347 0.000 0.916 145 E CB 0.570 30.098 29.700 -0.287 0.000 0.947 145 E HN 0.363 nan 8.360 nan 0.000 0.440 146 I N 4.201 124.580 120.570 -0.320 0.000 2.534 146 I HA 0.279 4.448 4.170 -0.001 0.000 0.288 146 I C -0.429 175.454 176.117 -0.390 0.000 1.077 146 I CA -0.715 60.391 61.300 -0.323 0.000 1.051 146 I CB 1.944 39.743 38.000 -0.334 0.000 1.234 146 I HN 0.362 nan 8.210 nan 0.000 0.425 147 K N 5.379 125.547 120.400 -0.387 0.000 2.207 147 K HA 0.596 4.915 4.320 -0.001 0.000 0.255 147 K C -1.416 174.940 176.600 -0.406 0.000 0.941 147 K CA -0.577 55.540 56.287 -0.283 0.000 0.825 147 K CB 1.960 34.383 32.500 -0.128 0.000 1.119 147 K HN 0.282 nan 8.250 nan 0.000 0.430 148 F N 3.644 123.582 119.950 -0.020 0.000 2.361 148 F HA 0.344 4.870 4.527 -0.001 0.000 0.364 148 F C 0.133 176.048 175.800 0.192 0.000 1.117 148 F CA -0.871 57.150 58.000 0.035 0.000 1.071 148 F CB 0.711 39.634 39.000 -0.127 0.000 1.188 148 F HN 0.108 nan 8.300 nan 0.000 0.464 149 I N 4.071 124.838 120.570 0.328 0.000 2.412 149 I HA 0.332 4.501 4.170 -0.001 0.000 0.296 149 I C 0.384 176.664 176.117 0.273 0.000 0.987 149 I CA -0.996 60.473 61.300 0.283 0.000 1.180 149 I CB 1.279 39.383 38.000 0.175 0.000 1.340 149 I HN 0.406 nan 8.210 nan 0.000 0.455 150 R N 4.918 125.502 120.500 0.140 0.000 2.502 150 R HA -0.011 4.329 4.340 -0.001 0.000 0.292 150 R C 1.211 177.515 176.300 0.008 0.000 0.998 150 R CA 0.081 56.123 56.100 -0.096 0.000 1.056 150 R CB 0.263 30.492 30.300 -0.119 0.000 0.939 150 R HN 0.527 nan 8.270 nan 0.000 0.411 151 K N 2.585 122.954 120.400 -0.052 0.000 2.127 151 K HA -0.236 4.083 4.320 -0.001 0.000 0.208 151 K C 1.692 178.316 176.600 0.040 0.000 1.047 151 K CA 1.968 58.247 56.287 -0.013 0.000 0.927 151 K CB 0.204 32.623 32.500 -0.135 0.000 0.716 151 K HN 0.618 nan 8.250 nan 0.000 0.450 152 E N 1.080 121.268 120.200 -0.019 0.000 2.031 152 E HA -0.241 4.109 4.350 -0.001 0.000 0.193 152 E C 1.732 178.363 176.600 0.050 0.000 0.994 152 E CA 1.421 57.821 56.400 -0.000 0.000 0.800 152 E CB -0.392 29.294 29.700 -0.024 0.000 0.752 152 E HN 0.410 nan 8.360 nan 0.000 0.447 153 E N 0.066 120.306 120.200 0.067 0.000 2.106 153 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 153 E C 1.936 178.621 176.600 0.141 0.000 0.984 153 E CA 1.089 57.542 56.400 0.088 0.000 0.806 153 E CB -0.306 29.439 29.700 0.076 0.000 0.750 153 E HN 0.348 nan 8.360 nan 0.000 0.458 154 Y N 1.054 121.391 120.300 0.062 0.000 2.114 154 Y HA -0.217 4.332 4.550 -0.001 0.000 0.284 154 Y C 1.921 177.911 175.900 0.151 0.000 1.143 154 Y CA 1.579 59.748 58.100 0.115 0.000 1.135 154 Y CB -0.165 38.341 38.460 0.075 0.000 0.980 154 Y HN -0.061 nan 8.280 nan 0.000 0.499 155 I N -0.586 120.073 120.570 0.148 0.000 2.163 155 I HA -0.377 3.792 4.170 -0.001 0.000 0.243 155 I C 2.835 178.925 176.117 -0.046 0.000 1.085 155 I CA 1.779 63.093 61.300 0.022 0.000 1.347 155 I CB -0.740 37.291 38.000 0.053 0.000 1.044 155 I HN 0.284 nan 8.210 nan 0.000 0.408 156 S N 0.571 116.276 115.700 0.009 0.000 2.365 156 S HA -0.278 4.191 4.470 -0.001 0.000 0.225 156 S C 2.059 176.662 174.600 0.005 0.000 1.039 156 S CA 1.848 60.057 58.200 0.015 0.000 1.033 156 S CB -0.491 62.737 63.200 0.046 0.000 0.887 156 S HN 0.462 nan 8.310 nan 0.000 0.447 157 F N 2.264 122.130 119.950 -0.140 0.000 2.113 157 F HA 0.006 4.533 4.527 -0.001 0.000 0.297 157 F C 2.346 178.005 175.800 -0.235 0.000 1.103 157 F CA 2.182 60.079 58.000 -0.173 0.000 1.248 157 F CB -0.876 38.018 39.000 -0.177 0.000 0.999 157 F HN 0.341 nan 8.300 nan 0.000 0.475 158 E N -0.132 119.800 120.200 -0.446 0.000 2.147 158 E HA -0.231 4.118 4.350 -0.001 0.000 0.199 158 E C 2.138 178.556 176.600 -0.303 0.000 1.005 158 E CA 1.724 57.847 56.400 -0.462 0.000 0.810 158 E CB -0.199 29.294 29.700 -0.345 0.000 0.736 158 E HN 0.503 nan 8.360 nan 0.000 0.460 159 S N 0.682 116.251 115.700 -0.219 0.000 2.338 159 S HA -0.149 4.320 4.470 -0.001 0.000 0.218 159 S C 1.810 176.251 174.600 -0.266 0.000 1.032 159 S CA 1.122 59.213 58.200 -0.182 0.000 0.999 159 S CB -0.321 62.806 63.200 -0.122 0.000 0.905 159 S HN 0.254 nan 8.310 nan 0.000 0.439 160 K N 1.159 121.420 120.400 -0.231 0.000 2.077 160 K HA -0.177 4.143 4.320 -0.001 0.000 0.213 160 K C 1.992 178.380 176.600 -0.354 0.000 1.051 160 K CA 1.703 57.866 56.287 -0.207 0.000 0.929 160 K CB -0.455 31.942 32.500 -0.171 0.000 0.715 160 K HN 0.203 nan 8.250 nan 0.000 0.451 161 V N 1.062 120.607 119.914 -0.614 0.000 2.358 161 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 161 V C 2.115 177.867 176.094 -0.571 0.000 1.047 161 V CA 1.846 63.654 62.300 -0.820 0.000 1.035 161 V CB -0.625 30.447 31.823 -1.252 0.000 0.658 161 V HN 0.367 nan 8.190 nan 0.000 0.452 162 F N 1.317 120.917 119.950 -0.584 0.000 2.091 162 F HA -0.261 4.266 4.527 -0.001 0.000 0.299 162 F C 2.313 177.856 175.800 -0.427 0.000 1.103 162 F CA 2.298 59.960 58.000 -0.562 0.000 1.228 162 F CB -0.827 37.825 39.000 -0.580 0.000 0.984 162 F HN 0.325 nan 8.300 nan 0.000 0.477 163 H N -0.537 118.195 119.070 -0.564 0.000 2.387 163 H HA -0.153 4.402 4.556 -0.001 0.000 0.299 163 H C 2.326 177.364 175.328 -0.483 0.000 1.090 163 H CA 1.471 57.170 56.048 -0.580 0.000 1.332 163 H CB -0.149 29.428 29.762 -0.308 0.000 1.386 163 H HN 0.252 nan 8.280 nan 0.000 0.516 164 K N 0.846 121.075 120.400 -0.284 0.000 2.097 164 K HA -0.131 4.189 4.320 -0.001 0.000 0.206 164 K C 1.912 178.317 176.600 -0.325 0.000 1.049 164 K CA 0.942 57.063 56.287 -0.276 0.000 0.933 164 K CB -0.012 32.330 32.500 -0.264 0.000 0.717 164 K HN 0.247 nan 8.250 nan 0.000 0.442 165 L N 0.515 121.532 121.223 -0.343 0.000 2.201 165 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 165 L C 2.186 178.794 176.870 -0.437 0.000 1.105 165 L CA 1.204 55.867 54.840 -0.295 0.000 0.775 165 L CB -0.208 41.749 42.059 -0.171 0.000 0.913 165 L HN 0.147 nan 8.230 nan 0.000 0.440 166 K N 0.149 120.241 120.400 -0.515 0.000 2.007 166 K HA -0.173 4.147 4.320 -0.001 0.000 0.206 166 K C 2.171 178.561 176.600 -0.350 0.000 1.047 166 K CA 1.119 57.138 56.287 -0.447 0.000 0.937 166 K CB -0.075 32.123 32.500 -0.504 0.000 0.718 166 K HN 0.071 nan 8.250 nan 0.000 0.438 167 K N 0.898 121.096 120.400 -0.336 0.000 2.057 167 K HA -0.052 4.268 4.320 -0.001 0.000 0.207 167 K C 1.801 178.196 176.600 -0.343 0.000 1.049 167 K CA 1.338 57.454 56.287 -0.286 0.000 0.931 167 K CB 0.067 32.421 32.500 -0.244 0.000 0.714 167 K HN 0.061 nan 8.250 nan 0.000 0.440 168 M N 0.725 120.031 119.600 -0.489 0.000 2.682 168 M HA 0.005 4.484 4.480 -0.001 0.000 0.235 168 M C -0.241 175.570 176.300 -0.814 0.000 1.114 168 M CA 0.794 55.659 55.300 -0.724 0.000 1.053 168 M CB 0.118 32.061 32.600 -1.095 0.000 1.599 168 M HN 0.017 nan 8.290 nan 0.000 0.520 169 K N -0.850 119.236 120.400 -0.524 0.000 3.035 169 K HA -0.234 4.085 4.320 -0.001 0.000 0.262 169 K C -0.318 176.103 176.600 -0.298 0.000 1.024 169 K CA 0.341 56.426 56.287 -0.337 0.000 0.748 169 K CB -1.731 30.638 32.500 -0.217 0.000 1.247 169 K HN 0.364 nan 8.250 nan 0.000 0.482 170 Y N -0.529 119.514 120.300 -0.429 0.000 2.519 170 Y HA 0.189 4.739 4.550 -0.001 0.000 0.287 170 Y C 0.990 176.460 175.900 -0.717 0.000 1.128 170 Y CA 0.409 58.090 58.100 -0.698 0.000 1.282 170 Y CB 0.430 38.344 38.460 -0.910 0.000 1.027 170 Y HN 0.117 nan 8.280 nan 0.000 0.551 171 L N -0.364 120.699 121.223 -0.267 0.000 2.401 171 L HA 0.668 5.008 4.340 -0.001 0.000 0.266 171 L C -1.206 175.685 176.870 0.036 0.000 0.991 171 L CA -0.946 53.854 54.840 -0.067 0.000 0.818 171 L CB 2.775 44.782 42.059 -0.088 0.000 1.321 171 L HN -0.443 nan 8.230 nan 0.000 0.413 172 V N 1.034 121.066 119.914 0.196 0.000 2.686 172 V HA 0.301 4.421 4.120 -0.001 0.000 0.306 172 V C -0.293 175.967 176.094 0.277 0.000 1.065 172 V CA -0.779 61.639 62.300 0.196 0.000 0.894 172 V CB 1.936 33.825 31.823 0.110 0.000 1.004 172 V HN 0.754 nan 8.190 nan 0.000 0.424 173 E N 2.309 122.647 120.200 0.230 0.000 2.398 173 E HA 0.488 4.837 4.350 -0.001 0.000 0.263 173 E C -0.692 175.906 176.600 -0.004 0.000 1.046 173 E CA -0.129 56.285 56.400 0.024 0.000 0.908 173 E CB 1.286 30.986 29.700 -0.000 0.000 0.963 173 E HN 0.515 nan 8.360 nan 0.000 0.431 174 V N 1.470 121.339 119.914 -0.075 0.000 5.269 174 V HA 0.245 4.365 4.120 -0.001 0.000 0.294 174 V C 0.239 176.287 176.094 -0.077 0.000 1.520 174 V CA -0.308 61.959 62.300 -0.055 0.000 0.796 174 V CB 1.229 33.017 31.823 -0.059 0.000 1.354 174 V HN 0.835 nan 8.190 nan 0.000 0.438 175 Q N 0.485 120.238 119.800 -0.079 0.000 1.818 175 Q HA 0.089 4.429 4.340 -0.001 0.000 0.183 175 Q C -0.341 175.618 176.000 -0.069 0.000 0.734 175 Q CA 0.402 56.165 55.803 -0.067 0.000 0.833 175 Q CB -0.952 27.758 28.738 -0.047 0.000 1.217 175 Q HN 0.948 nan 8.270 nan 0.000 0.401 176 D N 1.789 122.132 120.400 -0.096 0.000 2.478 176 D HA -0.051 4.589 4.640 -0.001 0.000 0.234 176 D C 0.405 176.662 176.300 -0.072 0.000 1.154 176 D CA 0.326 54.265 54.000 -0.102 0.000 0.874 176 D CB 0.753 41.450 40.800 -0.171 0.000 1.198 176 D HN 0.168 nan 8.370 nan 0.000 0.455 177 E N 0.361 120.527 120.200 -0.056 0.000 2.442 177 E HA 0.119 4.468 4.350 -0.001 0.000 0.195 177 E C -0.123 176.456 176.600 -0.035 0.000 1.030 177 E CA 0.133 56.512 56.400 -0.034 0.000 0.869 177 E CB 0.494 30.178 29.700 -0.025 0.000 0.857 177 E HN 0.299 nan 8.360 nan 0.000 0.505 178 V N -0.149 119.731 119.914 -0.058 0.000 3.202 178 V HA 0.241 4.360 4.120 -0.001 0.000 0.306 178 V C -0.042 176.002 176.094 -0.084 0.000 1.283 178 V CA -1.017 61.241 62.300 -0.069 0.000 1.065 178 V CB 2.257 34.041 31.823 -0.065 0.000 1.079 178 V HN -0.092 nan 8.190 nan 0.000 0.448 179 K N -0.917 119.436 120.400 -0.078 0.000 3.423 179 K HA -0.109 4.210 4.320 -0.001 0.000 0.275 179 K C -1.888 174.775 176.600 0.105 0.000 1.344 179 K CA 0.921 57.209 56.287 0.001 0.000 0.911 179 K CB -1.937 30.548 32.500 -0.025 0.000 1.503 179 K HN 0.592 nan 8.250 nan 0.000 0.499 180 P HA -0.107 nan 4.420 nan 0.000 0.219 180 P C 0.616 178.053 177.300 0.229 0.000 1.146 180 P CA 1.683 64.895 63.100 0.187 0.000 0.808 180 P CB 0.058 31.893 31.700 0.224 0.000 0.779 181 R N -2.906 117.642 120.500 0.080 0.000 4.070 181 R HA -0.187 4.152 4.340 -0.001 0.000 0.439 181 R C 0.667 177.176 176.300 0.348 0.000 0.831 181 R CA 1.688 57.887 56.100 0.165 0.000 1.684 181 R CB -1.727 28.718 30.300 0.242 0.000 2.331 181 R HN 0.487 nan 8.270 nan 0.000 0.477 182 G N -2.726 106.361 108.800 0.479 0.000 2.328 182 G HA2 0.397 4.357 3.960 -0.001 0.000 0.295 182 G HA3 0.397 4.357 3.960 -0.001 0.000 0.295 182 G C -1.827 173.283 174.900 0.350 0.000 1.413 182 G CA -0.272 45.114 45.100 0.477 0.000 0.817 182 G HN 0.550 nan 8.290 nan 0.000 0.546 183 V N 0.490 120.505 119.914 0.168 0.000 2.513 183 V HA 0.795 4.914 4.120 -0.001 0.000 0.299 183 V C -0.212 175.954 176.094 0.120 0.000 1.035 183 V CA -0.792 61.591 62.300 0.139 0.000 0.889 183 V CB 1.173 33.009 31.823 0.021 0.000 0.988 183 V HN 1.324 nan 8.190 nan 0.000 0.440 184 L N 5.040 126.383 121.223 0.199 0.000 2.292 184 L HA 0.722 5.061 4.340 -0.001 0.000 0.284 184 L C -0.374 176.644 176.870 0.246 0.000 1.065 184 L CA 0.244 55.180 54.840 0.160 0.000 0.806 184 L CB 0.915 43.045 42.059 0.118 0.000 1.175 184 L HN 0.641 nan 8.230 nan 0.000 0.431 185 N N 3.376 122.175 118.700 0.166 0.000 2.531 185 N HA 0.688 5.427 4.740 -0.001 0.000 0.290 185 N C -1.147 174.504 175.510 0.235 0.000 1.257 185 N CA -0.696 52.488 53.050 0.224 0.000 0.863 185 N CB 1.666 40.249 38.487 0.160 0.000 1.320 185 N HN 0.537 nan 8.380 nan 0.000 0.538 186 I N 1.899 122.650 120.570 0.301 0.000 2.464 186 I HA 0.297 4.466 4.170 -0.001 0.000 0.277 186 I C -0.798 175.564 176.117 0.407 0.000 1.040 186 I CA -0.437 61.041 61.300 0.298 0.000 1.153 186 I CB 0.209 38.278 38.000 0.114 0.000 1.274 186 I HN 0.399 nan 8.210 nan 0.000 0.469 187 I N 8.231 128.997 120.570 0.326 0.000 2.396 187 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 187 I C -1.770 174.532 176.117 0.309 0.000 1.056 187 I CA -2.313 59.154 61.300 0.278 0.000 1.365 187 I CB 0.653 38.734 38.000 0.135 0.000 1.407 187 I HN 0.209 nan 8.210 nan 0.000 0.509 188 P HA 0.070 nan 4.420 nan 0.000 0.249 188 P C -0.205 177.124 177.300 0.050 0.000 1.737 188 P CA -0.463 62.691 63.100 0.089 0.000 1.128 188 P CB -0.358 31.166 31.700 -0.293 0.000 1.942 189 K N 2.688 123.149 120.400 0.101 0.000 2.448 189 K HA -0.009 4.310 4.320 -0.001 0.000 0.278 189 K C 0.916 177.531 176.600 0.024 0.000 1.009 189 K CA -0.375 55.935 56.287 0.038 0.000 0.995 189 K CB 0.445 32.958 32.500 0.022 0.000 0.917 189 K HN 0.130 nan 8.250 nan 0.000 0.481 190 Q N 1.712 121.506 119.800 -0.010 0.000 2.667 190 Q HA -0.335 4.005 4.340 -0.001 0.000 0.466 190 Q C 0.913 176.907 176.000 -0.010 0.000 0.490 190 Q CA 2.747 58.539 55.803 -0.018 0.000 1.015 190 Q CB -1.230 27.497 28.738 -0.018 0.000 1.811 190 Q HN 1.114 nan 8.270 nan 0.000 1.096 191 D N -0.912 119.500 120.400 0.019 0.000 2.489 191 D HA 0.116 4.755 4.640 -0.001 0.000 0.231 191 D C 0.824 177.197 176.300 0.122 0.000 1.114 191 D CA 0.076 54.100 54.000 0.041 0.000 0.842 191 D CB -0.246 40.572 40.800 0.029 0.000 1.133 191 D HN 0.372 nan 8.370 nan 0.000 0.506 192 N N -0.529 118.250 118.700 0.132 0.000 2.318 192 N HA 0.301 5.041 4.740 -0.001 0.000 0.283 192 N C -0.649 175.085 175.510 0.373 0.000 1.306 192 N CA -0.375 52.804 53.050 0.214 0.000 0.941 192 N CB 0.516 39.060 38.487 0.095 0.000 1.059 192 N HN 0.026 nan 8.380 nan 0.000 0.496 193 F N -1.535 118.519 119.950 0.174 0.000 2.662 193 F HA 0.581 5.107 4.527 -0.001 0.000 0.312 193 F C -1.185 174.697 175.800 0.137 0.000 1.113 193 F CA -1.119 57.014 58.000 0.221 0.000 0.951 193 F CB 1.299 40.447 39.000 0.246 0.000 1.344 193 F HN 0.189 nan 8.300 nan 0.000 0.462 194 R N 1.965 122.508 120.500 0.072 0.000 2.500 194 R HA 0.746 5.085 4.340 -0.001 0.000 0.299 194 R C -1.450 174.909 176.300 0.100 0.000 1.038 194 R CA -0.780 55.263 56.100 -0.096 0.000 0.903 194 R CB 1.666 31.930 30.300 -0.060 0.000 1.177 194 R HN 1.062 nan 8.270 nan 0.000 0.455 195 A N 6.047 128.927 122.820 0.100 0.000 2.302 195 A HA 0.491 4.811 4.320 -0.001 0.000 0.295 195 A C -0.012 177.491 177.584 -0.135 0.000 1.235 195 A CA -0.487 51.636 52.037 0.143 0.000 0.876 195 A CB -0.118 19.106 19.000 0.373 0.000 1.133 195 A HN 0.761 nan 8.150 nan 0.000 0.533 196 I N 1.074 121.577 120.570 -0.110 0.000 2.785 196 I HA 0.826 4.995 4.170 -0.001 0.000 0.302 196 I C -0.187 175.838 176.117 -0.154 0.000 1.069 196 I CA -1.182 60.003 61.300 -0.192 0.000 1.045 196 I CB 2.100 40.017 38.000 -0.138 0.000 1.236 196 I HN 0.447 nan 8.210 nan 0.000 0.429 197 V N 1.531 121.329 119.914 -0.193 0.000 3.096 197 V HA 0.759 4.878 4.120 -0.001 0.000 0.319 197 V C -0.046 176.014 176.094 -0.058 0.000 1.082 197 V CA -0.375 61.864 62.300 -0.102 0.000 1.022 197 V CB 1.450 33.203 31.823 -0.117 0.000 1.103 197 V HN 0.858 nan 8.190 nan 0.000 0.455 198 S N 2.773 118.472 115.700 -0.002 0.000 2.733 198 S HA 0.570 5.040 4.470 -0.001 0.000 0.294 198 S C -0.241 174.400 174.600 0.068 0.000 1.149 198 S CA -0.583 57.619 58.200 0.003 0.000 1.034 198 S CB 0.941 64.126 63.200 -0.025 0.000 1.015 198 S HN 0.994 nan 8.310 nan 0.000 0.486 199 I N 0.552 121.176 120.570 0.089 0.000 2.775 199 I HA 0.090 4.259 4.170 -0.001 0.000 0.290 199 I C 1.040 177.289 176.117 0.220 0.000 1.203 199 I CA -0.185 61.226 61.300 0.185 0.000 1.433 199 I CB 0.062 38.155 38.000 0.154 0.000 1.354 199 I HN 0.461 nan 8.210 nan 0.000 0.579 200 F N 4.780 124.779 119.950 0.082 0.000 2.087 200 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 200 F C -0.127 175.710 175.800 0.062 0.000 1.100 200 F CA 1.991 60.033 58.000 0.071 0.000 1.226 200 F CB -1.548 37.499 39.000 0.080 0.000 0.983 200 F HN 0.613 nan 8.300 nan 0.000 0.479 201 P HA 0.337 nan 4.420 nan 0.000 0.348 201 P C -1.719 175.713 177.300 0.221 0.000 1.208 201 P CA -0.298 62.966 63.100 0.273 0.000 0.780 201 P CB 1.197 33.022 31.700 0.208 0.000 1.684 202 D N -2.610 117.899 120.400 0.181 0.000 2.927 202 D HA 0.177 4.816 4.640 -0.001 0.000 0.219 202 D C -0.282 176.090 176.300 0.120 0.000 1.248 202 D CA -0.560 53.519 54.000 0.131 0.000 0.861 202 D CB 0.706 41.567 40.800 0.103 0.000 1.677 202 D HN 0.027 nan 8.370 nan 0.000 0.511 203 S N 0.177 115.933 115.700 0.093 0.000 2.603 203 S HA 0.109 4.578 4.470 -0.001 0.000 0.229 203 S C 1.289 175.926 174.600 0.062 0.000 0.972 203 S CA 0.476 58.726 58.200 0.084 0.000 0.935 203 S CB -0.111 63.130 63.200 0.067 0.000 0.769 203 S HN 0.679 nan 8.310 nan 0.000 0.536 204 A N 1.025 123.872 122.820 0.045 0.000 2.734 204 A HA 0.563 4.882 4.320 -0.001 0.000 0.279 204 A C 1.237 178.806 177.584 -0.025 0.000 1.386 204 A CA -0.269 51.768 52.037 -0.000 0.000 0.987 204 A CB -0.239 18.751 19.000 -0.016 0.000 1.041 204 A HN 0.271 nan 8.150 nan 0.000 0.569 205 R N -1.554 118.959 120.500 0.021 0.000 2.230 205 R HA 0.106 4.446 4.340 -0.001 0.000 0.165 205 R C 1.271 177.614 176.300 0.071 0.000 0.665 205 R CA 0.824 56.914 56.100 -0.018 0.000 1.065 205 R CB -0.452 29.821 30.300 -0.046 0.000 1.439 205 R HN 0.302 nan 8.270 nan 0.000 0.460 206 K N 0.832 121.331 120.400 0.165 0.000 2.044 206 K HA 0.120 4.439 4.320 -0.001 0.000 0.204 206 K C -1.147 175.566 176.600 0.189 0.000 1.049 206 K CA 1.021 57.446 56.287 0.231 0.000 0.945 206 K CB -0.047 32.565 32.500 0.186 0.000 0.724 206 K HN 0.066 nan 8.250 nan 0.000 0.440 207 P HA -0.076 nan 4.420 nan 0.000 0.233 207 P C 0.682 178.079 177.300 0.161 0.000 1.167 207 P CA 0.724 63.901 63.100 0.127 0.000 0.770 207 P CB -0.009 31.746 31.700 0.093 0.000 0.837 208 F N -1.269 118.656 119.950 -0.042 0.000 2.179 208 F HA 0.036 4.563 4.527 -0.001 0.000 0.292 208 F C 1.924 177.705 175.800 -0.031 0.000 1.089 208 F CA 0.807 58.733 58.000 -0.122 0.000 1.295 208 F CB -0.283 38.531 39.000 -0.311 0.000 1.041 208 F HN -0.268 nan 8.300 nan 0.000 0.487 209 F N 1.055 120.951 119.950 -0.089 0.000 2.269 209 F HA -0.171 4.356 4.527 -0.001 0.000 0.301 209 F C 2.437 178.208 175.800 -0.049 0.000 1.082 209 F CA 1.078 59.006 58.000 -0.120 0.000 1.360 209 F CB -0.247 38.776 39.000 0.040 0.000 1.041 209 F HN -0.054 nan 8.300 nan 0.000 0.512 210 K N 0.671 121.180 120.400 0.182 0.000 2.025 210 K HA -0.203 4.116 4.320 -0.001 0.000 0.207 210 K C 2.079 178.736 176.600 0.096 0.000 1.049 210 K CA 1.137 57.504 56.287 0.134 0.000 0.933 210 K CB -0.308 32.263 32.500 0.120 0.000 0.714 210 K HN 0.202 nan 8.250 nan 0.000 0.438 211 L N 1.254 122.515 121.223 0.063 0.000 2.083 211 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 211 L C 1.847 178.736 176.870 0.031 0.000 1.083 211 L CA 1.361 56.233 54.840 0.053 0.000 0.752 211 L CB -0.368 41.734 42.059 0.071 0.000 0.899 211 L HN 0.163 nan 8.230 nan 0.000 0.433 212 L N -0.951 120.251 121.223 -0.035 0.000 2.023 212 L HA -0.131 4.208 4.340 -0.001 0.000 0.205 212 L C 2.491 179.410 176.870 0.082 0.000 1.073 212 L CA 2.200 57.036 54.840 -0.007 0.000 0.745 212 L CB -1.564 40.463 42.059 -0.054 0.000 0.900 212 L HN 0.234 nan 8.230 nan 0.000 0.435 213 T N -1.486 113.144 114.554 0.126 0.000 2.665 213 T HA -0.248 4.101 4.350 -0.001 0.000 0.268 213 T C 2.184 177.059 174.700 0.293 0.000 1.035 213 T CA 1.827 64.042 62.100 0.193 0.000 1.151 213 T CB -0.403 68.591 68.868 0.209 0.000 0.862 213 T HN 0.301 nan 8.240 nan 0.000 0.438 214 S N 0.371 116.195 115.700 0.207 0.000 2.368 214 S HA -0.082 4.388 4.470 -0.001 0.000 0.224 214 S C 2.085 176.796 174.600 0.185 0.000 1.029 214 S CA 1.118 59.434 58.200 0.193 0.000 0.988 214 S CB -0.199 63.068 63.200 0.112 0.000 0.838 214 S HN 0.407 nan 8.310 nan 0.000 0.462 215 K N 0.335 120.814 120.400 0.131 0.000 2.097 215 K HA 0.010 4.330 4.320 -0.001 0.000 0.206 215 K C 1.991 178.652 176.600 0.101 0.000 1.049 215 K CA 1.374 57.725 56.287 0.107 0.000 0.933 215 K CB -0.274 32.276 32.500 0.083 0.000 0.717 215 K HN 0.451 nan 8.250 nan 0.000 0.442 216 I N -0.218 120.399 120.570 0.078 0.000 2.315 216 I HA -0.259 3.910 4.170 -0.001 0.000 0.248 216 I C 1.765 177.866 176.117 -0.026 0.000 1.117 216 I CA 1.149 62.448 61.300 -0.001 0.000 1.404 216 I CB -0.213 37.739 38.000 -0.079 0.000 1.071 216 I HN 0.116 nan 8.210 nan 0.000 0.419 217 Y N 1.018 121.339 120.300 0.035 0.000 2.403 217 Y HA -0.242 4.308 4.550 -0.001 0.000 0.291 217 Y C 2.541 178.471 175.900 0.049 0.000 1.143 217 Y CA 1.412 59.532 58.100 0.034 0.000 1.257 217 Y CB -0.319 38.161 38.460 0.033 0.000 0.984 217 Y HN 0.095 nan 8.280 nan 0.000 0.550 218 K N -0.267 120.248 120.400 0.192 0.000 2.062 218 K HA -0.097 4.223 4.320 -0.001 0.000 0.205 218 K C 1.860 178.537 176.600 0.129 0.000 1.051 218 K CA 1.172 57.546 56.287 0.145 0.000 0.941 218 K CB -0.158 32.417 32.500 0.124 0.000 0.719 218 K HN 0.089 nan 8.250 nan 0.000 0.440 219 V N 1.859 121.843 119.914 0.117 0.000 2.469 219 V HA -0.252 3.867 4.120 -0.001 0.000 0.251 219 V C 2.222 178.434 176.094 0.198 0.000 1.064 219 V CA 1.481 63.863 62.300 0.137 0.000 1.066 219 V CB -0.401 31.492 31.823 0.117 0.000 0.667 219 V HN 0.311 nan 8.190 nan 0.000 0.461 220 L N 0.440 121.746 121.223 0.139 0.000 2.072 220 L HA -0.146 4.193 4.340 -0.001 0.000 0.205 220 L C 2.491 179.472 176.870 0.186 0.000 1.079 220 L CA 1.830 56.754 54.840 0.140 0.000 0.752 220 L CB -0.413 41.661 42.059 0.025 0.000 0.906 220 L HN 0.529 nan 8.230 nan 0.000 0.436 221 E N -1.201 119.090 120.200 0.152 0.000 2.489 221 E HA -0.103 4.247 4.350 -0.001 0.000 0.193 221 E C 1.653 178.318 176.600 0.109 0.000 1.057 221 E CA 0.443 56.920 56.400 0.128 0.000 0.866 221 E CB 0.141 29.912 29.700 0.117 0.000 0.916 221 E HN 0.296 nan 8.360 nan 0.000 0.500 222 E N -0.079 120.190 120.200 0.116 0.000 2.391 222 E HA 0.106 4.455 4.350 -0.001 0.000 0.206 222 E C 1.298 177.926 176.600 0.047 0.000 0.851 222 E CA 0.182 56.629 56.400 0.077 0.000 1.059 222 E CB 0.351 30.097 29.700 0.077 0.000 1.065 222 E HN 0.043 nan 8.360 nan 0.000 0.512 223 K N -0.383 120.065 120.400 0.080 0.000 2.348 223 K HA 0.103 4.422 4.320 -0.001 0.000 0.194 223 K C -0.280 176.194 176.600 -0.210 0.000 1.052 223 K CA 0.180 56.435 56.287 -0.055 0.000 1.004 223 K CB 0.582 33.058 32.500 -0.039 0.000 0.873 223 K HN -0.049 nan 8.250 nan 0.000 0.523 224 Y N 1.241 121.560 120.300 0.031 0.000 2.509 224 Y HA 0.310 4.859 4.550 -0.001 0.000 0.341 224 Y C 0.432 176.346 175.900 0.023 0.000 1.038 224 Y CA -0.786 57.334 58.100 0.033 0.000 1.089 224 Y CB 1.320 39.804 38.460 0.041 0.000 1.241 224 Y HN -0.284 nan 8.280 nan 0.000 0.468 225 K N 0.790 121.285 120.400 0.159 0.000 2.276 225 K HA 0.197 4.517 4.320 -0.001 0.000 0.259 225 K C 0.009 176.655 176.600 0.076 0.000 1.001 225 K CA -0.142 56.196 56.287 0.086 0.000 0.927 225 K CB 0.554 33.087 32.500 0.055 0.000 0.969 225 K HN 0.867 nan 8.250 nan 0.000 0.490 226 T N -1.214 113.365 114.554 0.041 0.000 2.927 226 T HA 0.081 4.430 4.350 -0.001 0.000 0.281 226 T C 1.029 175.703 174.700 -0.043 0.000 0.998 226 T CA -0.658 61.452 62.100 0.015 0.000 1.019 226 T CB 1.596 70.486 68.868 0.037 0.000 1.061 226 T HN 0.479 nan 8.240 nan 0.000 0.518 227 S N 0.837 116.468 115.700 -0.114 0.000 2.515 227 S HA 0.340 4.809 4.470 -0.001 0.000 0.231 227 S C 1.254 175.752 174.600 -0.169 0.000 0.987 227 S CA 0.970 59.005 58.200 -0.276 0.000 0.936 227 S CB -1.608 61.250 63.200 -0.571 0.000 0.766 227 S HN 1.685 nan 8.310 nan 0.000 0.528 228 G N 0.367 109.163 108.800 -0.006 0.000 2.660 228 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.215 228 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.215 228 G C -0.303 174.739 174.900 0.237 0.000 1.345 228 G CA -0.156 45.002 45.100 0.096 0.000 0.877 228 G HN 0.900 nan 8.290 nan 0.000 0.549 229 S N -0.432 115.414 115.700 0.244 0.000 2.422 229 S HA 0.505 4.975 4.470 -0.001 0.000 0.298 229 S C 1.691 176.492 174.600 0.334 0.000 1.118 229 S CA 0.214 58.597 58.200 0.305 0.000 1.083 229 S CB 0.915 64.270 63.200 0.258 0.000 0.971 229 S HN 1.067 nan 8.310 nan 0.000 0.478 230 L N 5.073 126.504 121.223 0.347 0.000 1.990 230 L HA -0.121 4.218 4.340 -0.001 0.000 0.213 230 L C 2.008 179.187 176.870 0.516 0.000 1.072 230 L CA 2.007 56.977 54.840 0.218 0.000 0.755 230 L CB -0.531 41.679 42.059 0.251 0.000 0.889 230 L HN 0.965 nan 8.230 nan 0.000 0.432 231 Y N 0.599 121.118 120.300 0.363 0.000 2.165 231 Y HA -0.306 4.244 4.550 -0.001 0.000 0.286 231 Y C 2.517 178.547 175.900 0.216 0.000 1.155 231 Y CA 2.384 60.505 58.100 0.035 0.000 1.164 231 Y CB -0.591 37.677 38.460 -0.321 0.000 0.978 231 Y HN 0.182 nan 8.280 nan 0.000 0.513 232 T N -0.689 113.967 114.554 0.170 0.000 2.770 232 T HA -0.190 4.159 4.350 -0.001 0.000 0.263 232 T C 2.128 176.887 174.700 0.098 0.000 1.039 232 T CA 1.486 63.631 62.100 0.076 0.000 1.142 232 T CB -1.031 67.921 68.868 0.140 0.000 0.868 232 T HN 0.455 nan 8.240 nan 0.000 0.435 233 C N 0.549 119.954 119.300 0.176 0.000 2.413 233 C HA -0.085 4.374 4.460 -0.001 0.000 0.277 233 C C 2.416 177.649 174.990 0.405 0.000 1.228 233 C CA 0.029 59.158 59.018 0.185 0.000 1.731 233 C CB -1.335 26.404 27.740 -0.003 0.000 2.042 233 C HN 0.722 nan 8.230 nan 0.000 0.468 234 W N 0.994 122.482 121.300 0.314 0.000 2.374 234 W HA -0.137 4.522 4.660 -0.001 0.000 0.288 234 W C 2.609 179.026 176.519 -0.170 0.000 1.218 234 W CA 1.620 58.990 57.345 0.042 0.000 1.245 234 W CB -0.381 29.053 29.460 -0.043 0.000 1.126 234 W HN 0.385 nan 8.180 nan 0.000 0.545 235 S N 0.581 116.213 115.700 -0.114 0.000 2.338 235 S HA -0.207 4.262 4.470 -0.001 0.000 0.218 235 S C 1.608 176.125 174.600 -0.138 0.000 1.032 235 S CA 1.733 59.838 58.200 -0.159 0.000 0.999 235 S CB -0.370 62.740 63.200 -0.150 0.000 0.905 235 S HN 0.331 nan 8.310 nan 0.000 0.439 236 E N -0.434 119.733 120.200 -0.054 0.000 2.077 236 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 236 E C 1.819 178.382 176.600 -0.061 0.000 0.989 236 E CA 1.183 57.562 56.400 -0.035 0.000 0.800 236 E CB -0.275 29.435 29.700 0.017 0.000 0.746 236 E HN 0.595 nan 8.360 nan 0.000 0.452 237 F N 1.964 121.785 119.950 -0.214 0.000 2.069 237 F HA -0.240 4.287 4.527 -0.001 0.000 0.298 237 F C 2.663 178.207 175.800 -0.427 0.000 1.113 237 F CA 2.126 59.951 58.000 -0.292 0.000 1.214 237 F CB -0.687 38.134 39.000 -0.298 0.000 0.978 237 F HN -0.010 nan 8.300 nan 0.000 0.474 238 T N -2.155 112.034 114.554 -0.607 0.000 2.867 238 T HA -0.170 4.179 4.350 -0.001 0.000 0.268 238 T C 1.858 176.317 174.700 -0.403 0.000 1.057 238 T CA 1.062 62.770 62.100 -0.654 0.000 1.136 238 T CB -0.460 67.965 68.868 -0.738 0.000 0.874 238 T HN 0.282 nan 8.240 nan 0.000 0.466 239 Q N 1.713 121.343 119.800 -0.283 0.000 2.084 239 Q HA -0.090 4.249 4.340 -0.001 0.000 0.202 239 Q C 2.439 178.324 176.000 -0.191 0.000 0.978 239 Q CA 1.874 57.572 55.803 -0.175 0.000 0.844 239 Q CB -0.201 28.474 28.738 -0.105 0.000 0.898 239 Q HN 0.874 nan 8.270 nan 0.000 0.426 240 K N -0.708 119.549 120.400 -0.239 0.000 2.166 240 K HA 0.082 4.401 4.320 -0.001 0.000 0.201 240 K C 0.406 176.826 176.600 -0.301 0.000 1.052 240 K CA 0.581 56.736 56.287 -0.219 0.000 0.969 240 K CB -0.019 32.380 32.500 -0.168 0.000 0.761 240 K HN -0.177 nan 8.250 nan 0.000 0.459 241 T N 3.368 117.622 114.554 -0.500 0.000 2.737 241 T HA 0.038 4.387 4.350 -0.001 0.000 0.296 241 T C 0.696 175.154 174.700 -0.404 0.000 0.922 241 T CA -0.561 61.196 62.100 -0.572 0.000 1.079 241 T CB 1.407 69.624 68.868 -1.086 0.000 0.892 241 T HN 0.321 nan 8.240 nan 0.000 0.514 242 Q N 2.831 122.467 119.800 -0.274 0.000 2.394 242 Q HA 0.178 4.517 4.340 -0.001 0.000 0.218 242 Q C 1.109 177.016 176.000 -0.154 0.000 0.907 242 Q CA 0.133 55.824 55.803 -0.188 0.000 0.919 242 Q CB -0.439 28.220 28.738 -0.131 0.000 1.051 242 Q HN 0.605 nan 8.270 nan 0.000 0.538 243 G N 1.534 110.241 108.800 -0.155 0.000 2.553 243 G HA2 0.153 4.112 3.960 -0.001 0.000 0.278 243 G HA3 0.153 4.112 3.960 -0.001 0.000 0.278 243 G C -0.744 174.101 174.900 -0.092 0.000 1.349 243 G CA -0.486 44.556 45.100 -0.097 0.000 1.037 243 G HN 0.221 nan 8.290 nan 0.000 0.508 244 Q N -0.523 119.267 119.800 -0.017 0.000 2.262 244 Q HA 0.189 4.529 4.340 -0.001 0.000 0.272 244 Q C 0.142 176.140 176.000 -0.003 0.000 1.076 244 Q CA 0.228 56.019 55.803 -0.021 0.000 0.905 244 Q CB 0.055 28.822 28.738 0.048 0.000 1.182 244 Q HN 0.296 nan 8.270 nan 0.000 0.390 245 I N 5.215 125.727 120.570 -0.097 0.000 2.496 245 I HA 0.051 4.221 4.170 -0.001 0.000 0.285 245 I C -0.503 175.555 176.117 -0.098 0.000 1.080 245 I CA -0.141 61.148 61.300 -0.019 0.000 1.404 245 I CB 0.271 38.272 38.000 0.000 0.000 1.403 245 I HN 0.613 nan 8.210 nan 0.000 0.539 246 Y N 3.931 124.263 120.300 0.053 0.000 2.393 246 Y HA 0.714 5.264 4.550 -0.001 0.000 0.341 246 Y C 0.551 176.478 175.900 0.045 0.000 0.988 246 Y CA -0.581 57.565 58.100 0.077 0.000 1.078 246 Y CB 2.241 40.768 38.460 0.112 0.000 1.203 246 Y HN 0.571 nan 8.280 nan 0.000 0.453 247 G N 2.464 111.383 108.800 0.198 0.000 2.698 247 G HA2 0.635 4.594 3.960 -0.001 0.000 0.293 247 G HA3 0.635 4.594 3.960 -0.001 0.000 0.293 247 G C -2.273 172.767 174.900 0.232 0.000 1.437 247 G CA -0.675 44.510 45.100 0.142 0.000 0.852 247 G HN 0.633 nan 8.290 nan 0.000 0.499 248 I N 0.231 120.970 120.570 0.281 0.000 2.619 248 I HA 0.613 4.782 4.170 -0.001 0.000 0.292 248 I C -1.164 175.157 176.117 0.339 0.000 1.100 248 I CA -1.049 60.414 61.300 0.272 0.000 1.043 248 I CB 2.194 40.372 38.000 0.297 0.000 1.239 248 I HN 0.332 nan 8.210 nan 0.000 0.420 249 K N 7.633 128.158 120.400 0.209 0.000 2.339 249 K HA 0.525 4.844 4.320 -0.001 0.000 0.264 249 K C -1.829 174.870 176.600 0.165 0.000 0.986 249 K CA -0.419 55.971 56.287 0.171 0.000 0.866 249 K CB 1.512 33.994 32.500 -0.030 0.000 1.103 249 K HN 0.479 nan 8.250 nan 0.000 0.441 250 V N 2.524 122.582 119.914 0.240 0.000 2.581 250 V HA 0.268 4.387 4.120 -0.001 0.000 0.303 250 V C -0.385 175.808 176.094 0.165 0.000 1.041 250 V CA -1.004 61.406 62.300 0.182 0.000 0.907 250 V CB 1.683 33.613 31.823 0.180 0.000 0.994 250 V HN 0.705 nan 8.190 nan 0.000 0.442 251 D N 3.376 123.835 120.400 0.098 0.000 2.414 251 D HA 0.379 5.018 4.640 -0.001 0.000 0.232 251 D C -0.234 176.087 176.300 0.035 0.000 1.070 251 D CA -0.489 53.553 54.000 0.070 0.000 0.839 251 D CB 0.845 41.670 40.800 0.040 0.000 1.079 251 D HN 0.270 nan 8.370 nan 0.000 0.521 252 I N 3.135 123.710 120.570 0.009 0.000 2.618 252 I HA 0.082 4.251 4.170 -0.001 0.000 0.284 252 I C 1.048 177.147 176.117 -0.029 0.000 1.146 252 I CA 0.091 61.357 61.300 -0.058 0.000 1.425 252 I CB 0.144 38.019 38.000 -0.209 0.000 1.383 252 I HN 0.444 nan 8.210 nan 0.000 0.562 253 R N 5.308 125.803 120.500 -0.007 0.000 2.265 253 R HA 0.092 4.432 4.340 -0.001 0.000 0.314 253 R C -0.140 176.167 176.300 0.013 0.000 1.053 253 R CA -0.287 55.818 56.100 0.009 0.000 0.931 253 R CB 0.342 30.657 30.300 0.026 0.000 1.024 253 R HN 0.648 nan 8.270 nan 0.000 0.457 254 D N 3.310 123.715 120.400 0.009 0.000 2.890 254 D HA -0.218 4.421 4.640 -0.001 0.000 0.226 254 D C 0.490 176.797 176.300 0.012 0.000 1.207 254 D CA 0.976 54.984 54.000 0.014 0.000 0.764 254 D CB -0.604 40.205 40.800 0.016 0.000 0.948 254 D HN 0.716 nan 8.370 nan 0.000 0.404 255 A N 1.493 124.320 122.820 0.012 0.000 1.883 255 A HA -0.202 4.117 4.320 -0.001 0.000 0.217 255 A C 1.871 179.407 177.584 -0.079 0.000 1.186 255 A CA 1.718 53.723 52.037 -0.053 0.000 0.624 255 A CB -0.672 18.252 19.000 -0.128 0.000 0.822 255 A HN 0.573 nan 8.150 nan 0.000 0.444 256 Y N -0.017 120.229 120.300 -0.090 0.000 2.181 256 Y HA -0.086 4.463 4.550 -0.001 0.000 0.288 256 Y C 2.779 178.560 175.900 -0.198 0.000 1.146 256 Y CA 1.256 59.278 58.100 -0.129 0.000 1.164 256 Y CB -0.716 37.661 38.460 -0.138 0.000 0.982 256 Y HN 0.342 nan 8.280 nan 0.000 0.515 257 G N -0.823 107.921 108.800 -0.093 0.000 2.408 257 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.215 257 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.215 257 G C 1.256 175.806 174.900 -0.583 0.000 1.156 257 G CA 0.572 45.383 45.100 -0.483 0.000 0.793 257 G HN 0.419 nan 8.290 nan 0.000 0.535 258 N N 0.020 118.592 118.700 -0.213 0.000 2.515 258 N HA 0.074 4.813 4.740 -0.001 0.000 0.191 258 N C -0.092 175.424 175.510 0.011 0.000 1.182 258 N CA -0.544 52.480 53.050 -0.043 0.000 0.879 258 N CB 0.319 38.862 38.487 0.094 0.000 0.984 258 N HN 0.058 nan 8.380 nan 0.000 0.453 259 V N 1.900 121.725 119.914 -0.148 0.000 2.529 259 V HA -0.017 4.102 4.120 -0.001 0.000 0.292 259 V C 0.382 176.266 176.094 -0.349 0.000 1.028 259 V CA 0.195 62.230 62.300 -0.443 0.000 1.074 259 V CB 0.833 32.291 31.823 -0.609 0.000 0.958 259 V HN 0.095 nan 8.190 nan 0.000 0.481 260 K N 5.528 125.734 120.400 -0.322 0.000 2.220 260 K HA 0.292 4.611 4.320 -0.001 0.000 0.283 260 K C 0.892 177.385 176.600 -0.178 0.000 1.098 260 K CA -0.247 55.978 56.287 -0.103 0.000 0.928 260 K CB 0.299 32.863 32.500 0.106 0.000 1.214 260 K HN 0.388 nan 8.250 nan 0.000 0.442 261 I N 4.396 124.878 120.570 -0.147 0.000 2.151 261 I HA -0.219 3.950 4.170 -0.001 0.000 0.243 261 I C -0.866 175.206 176.117 -0.075 0.000 1.080 261 I CA 1.046 62.270 61.300 -0.127 0.000 1.339 261 I CB -1.645 36.306 38.000 -0.081 0.000 1.039 261 I HN 0.454 nan 8.210 nan 0.000 0.409 262 P HA -0.131 nan 4.420 nan 0.000 0.216 262 P C 2.173 179.476 177.300 0.005 0.000 1.157 262 P CA 1.377 64.475 63.100 -0.003 0.000 0.880 262 P CB -0.016 31.696 31.700 0.020 0.000 0.791 263 V N -0.902 119.030 119.914 0.030 0.000 2.407 263 V HA -0.156 3.964 4.120 -0.001 0.000 0.245 263 V C 2.401 178.505 176.094 0.017 0.000 1.041 263 V CA 1.183 63.528 62.300 0.074 0.000 1.040 263 V CB -1.348 30.607 31.823 0.220 0.000 0.671 263 V HN 0.022 nan 8.190 nan 0.000 0.455 264 L N 0.275 121.485 121.223 -0.022 0.000 2.081 264 L HA -0.202 4.137 4.340 -0.001 0.000 0.212 264 L C 2.392 179.215 176.870 -0.078 0.000 1.080 264 L CA 2.034 56.836 54.840 -0.063 0.000 0.754 264 L CB -0.833 41.105 42.059 -0.201 0.000 0.893 264 L HN 0.375 nan 8.230 nan 0.000 0.433 265 C N -0.089 119.171 119.300 -0.066 0.000 2.413 265 C HA -0.139 4.321 4.460 -0.001 0.000 0.277 265 C C 2.566 177.532 174.990 -0.040 0.000 1.228 265 C CA 0.809 59.800 59.018 -0.045 0.000 1.731 265 C CB -1.024 26.698 27.740 -0.030 0.000 2.042 265 C HN 0.486 nan 8.230 nan 0.000 0.468 266 K N 0.840 121.215 120.400 -0.041 0.000 2.362 266 K HA 0.012 4.331 4.320 -0.001 0.000 0.200 266 K C 1.779 178.324 176.600 -0.092 0.000 1.046 266 K CA 0.663 56.925 56.287 -0.042 0.000 0.952 266 K CB -0.635 31.852 32.500 -0.021 0.000 0.753 266 K HN 0.548 nan 8.250 nan 0.000 0.466 267 L N 0.554 121.685 121.223 -0.154 0.000 2.095 267 L HA -0.031 4.308 4.340 -0.001 0.000 0.204 267 L C 2.141 178.944 176.870 -0.111 0.000 1.080 267 L CA 0.730 55.425 54.840 -0.242 0.000 0.759 267 L CB -0.094 41.749 42.059 -0.360 0.000 0.914 267 L HN 0.017 nan 8.230 nan 0.000 0.439 268 I N -0.651 119.878 120.570 -0.068 0.000 2.286 268 I HA -0.290 3.879 4.170 -0.001 0.000 0.248 268 I C 2.616 178.733 176.117 0.001 0.000 1.115 268 I CA 0.829 62.116 61.300 -0.022 0.000 1.392 268 I CB -0.332 37.662 38.000 -0.010 0.000 1.065 268 I HN 0.339 nan 8.210 nan 0.000 0.418 269 Q N 0.749 120.546 119.800 -0.005 0.000 2.002 269 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 269 Q C 2.477 178.485 176.000 0.012 0.000 0.988 269 Q CA 2.236 58.045 55.803 0.010 0.000 0.843 269 Q CB -0.769 27.973 28.738 0.006 0.000 0.908 269 Q HN 0.620 nan 8.270 nan 0.000 0.420 270 S N 0.475 116.172 115.700 -0.004 0.000 2.493 270 S HA -0.067 4.403 4.470 -0.001 0.000 0.243 270 S C 1.175 175.785 174.600 0.017 0.000 0.991 270 S CA 0.068 58.270 58.200 0.003 0.000 0.957 270 S CB -0.683 62.509 63.200 -0.013 0.000 0.756 270 S HN 0.244 nan 8.310 nan 0.000 0.521 271 I N 3.489 124.076 120.570 0.027 0.000 2.752 271 I HA 0.088 4.258 4.170 -0.001 0.000 0.286 271 I C -2.241 173.907 176.117 0.051 0.000 1.180 271 I CA -1.689 59.640 61.300 0.048 0.000 1.404 271 I CB -0.059 37.975 38.000 0.058 0.000 1.389 271 I HN 0.017 nan 8.210 nan 0.000 0.549 272 P HA -0.031 nan 4.420 nan 0.000 0.264 272 P C 0.897 178.263 177.300 0.109 0.000 1.183 272 P CA 0.051 63.186 63.100 0.058 0.000 0.763 272 P CB 0.413 32.115 31.700 0.005 0.000 0.807 273 T N -0.944 113.682 114.554 0.121 0.000 2.977 273 T HA -0.223 4.126 4.350 -0.001 0.000 0.271 273 T C 1.490 176.272 174.700 0.138 0.000 1.105 273 T CA 1.026 63.193 62.100 0.112 0.000 1.116 273 T CB -1.001 67.915 68.868 0.081 0.000 0.878 273 T HN 0.454 nan 8.240 nan 0.000 0.509 274 H N 1.508 120.597 119.070 0.032 0.000 2.297 274 H HA -0.106 4.450 4.556 -0.001 0.000 0.289 274 H C -0.003 175.349 175.328 0.040 0.000 1.105 274 H CA 1.303 57.371 56.048 0.034 0.000 1.219 274 H CB -0.150 29.631 29.762 0.032 0.000 1.351 274 H HN 0.363 nan 8.280 nan 0.000 0.481 275 L N -0.303 121.029 121.223 0.181 0.000 2.349 275 L HA 0.348 4.688 4.340 -0.001 0.000 0.278 275 L C -0.525 176.406 176.870 0.101 0.000 0.996 275 L CA -0.364 54.549 54.840 0.121 0.000 0.825 275 L CB 1.890 44.020 42.059 0.119 0.000 1.243 275 L HN 0.078 nan 8.230 nan 0.000 0.412 276 L N 3.183 124.458 121.223 0.087 0.000 2.626 276 L HA -0.169 4.170 4.340 -0.001 0.000 0.571 276 L C -0.221 176.697 176.870 0.080 0.000 1.001 276 L CA 0.262 55.153 54.840 0.084 0.000 1.280 276 L CB -0.546 41.563 42.059 0.082 0.000 1.779 276 L HN 0.993 nan 8.230 nan 0.000 0.887 277 D N 1.031 121.477 120.400 0.076 0.000 2.440 277 D HA 0.249 4.889 4.640 -0.001 0.000 0.282 277 D C 0.816 177.160 176.300 0.072 0.000 1.189 277 D CA 0.039 54.079 54.000 0.067 0.000 1.105 277 D CB 0.333 41.166 40.800 0.055 0.000 1.173 277 D HN 0.372 nan 8.370 nan 0.000 0.577 278 S N -0.391 115.348 115.700 0.065 0.000 2.603 278 S HA -0.089 4.381 4.470 -0.001 0.000 0.229 278 S C 1.466 176.121 174.600 0.091 0.000 0.972 278 S CA 0.744 58.986 58.200 0.069 0.000 0.935 278 S CB -0.445 62.787 63.200 0.054 0.000 0.769 278 S HN 0.512 nan 8.310 nan 0.000 0.536 279 E N 2.525 122.788 120.200 0.104 0.000 2.072 279 E HA -0.189 4.161 4.350 -0.001 0.000 0.190 279 E C 1.659 178.387 176.600 0.213 0.000 0.982 279 E CA 1.213 57.701 56.400 0.147 0.000 0.803 279 E CB -0.364 29.422 29.700 0.143 0.000 0.755 279 E HN 0.463 nan 8.360 nan 0.000 0.453 280 K N 1.497 122.000 120.400 0.172 0.000 2.116 280 K HA -0.025 4.295 4.320 -0.001 0.000 0.203 280 K C 2.072 178.752 176.600 0.133 0.000 1.052 280 K CA 1.334 57.723 56.287 0.170 0.000 0.952 280 K CB -0.238 32.334 32.500 0.120 0.000 0.729 280 K HN 0.117 nan 8.250 nan 0.000 0.446 281 K N 0.531 120.994 120.400 0.106 0.000 2.173 281 K HA -0.246 4.073 4.320 -0.001 0.000 0.207 281 K C 0.633 177.286 176.600 0.089 0.000 1.046 281 K CA 2.084 58.420 56.287 0.081 0.000 0.929 281 K CB -0.069 32.473 32.500 0.070 0.000 0.720 281 K HN 0.304 nan 8.250 nan 0.000 0.453 282 N N -1.242 117.535 118.700 0.128 0.000 2.742 282 N HA 0.070 4.810 4.740 -0.001 0.000 0.233 282 N C 1.174 176.792 175.510 0.181 0.000 1.033 282 N CA 0.389 53.522 53.050 0.138 0.000 0.993 282 N CB -0.448 38.123 38.487 0.140 0.000 1.544 282 N HN 0.048 nan 8.380 nan 0.000 0.459 283 F N 2.060 122.072 119.950 0.102 0.000 2.026 283 F HA -0.033 4.493 4.527 -0.001 0.000 0.296 283 F C 1.880 177.771 175.800 0.152 0.000 1.133 283 F CA 1.505 59.585 58.000 0.132 0.000 1.188 283 F CB -0.234 38.872 39.000 0.177 0.000 0.968 283 F HN -0.069 nan 8.300 nan 0.000 0.476 284 I N -0.254 120.399 120.570 0.139 0.000 2.208 284 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 284 I C 2.212 178.315 176.117 -0.023 0.000 1.097 284 I CA 1.213 62.534 61.300 0.035 0.000 1.363 284 I CB -0.709 37.358 38.000 0.112 0.000 1.051 284 I HN 0.085 nan 8.210 nan 0.000 0.413 285 V N 0.878 120.798 119.914 0.009 0.000 2.343 285 V HA -0.327 3.792 4.120 -0.001 0.000 0.247 285 V C 2.185 178.263 176.094 -0.027 0.000 1.051 285 V CA 2.413 64.708 62.300 -0.009 0.000 1.036 285 V CB -0.668 31.166 31.823 0.018 0.000 0.654 285 V HN 0.478 nan 8.190 nan 0.000 0.451 286 D N -0.963 119.423 120.400 -0.023 0.000 2.097 286 D HA -0.227 4.413 4.640 -0.001 0.000 0.197 286 D C 2.147 178.413 176.300 -0.057 0.000 0.984 286 D CA 1.632 55.618 54.000 -0.023 0.000 0.826 286 D CB -0.232 40.575 40.800 0.012 0.000 0.973 286 D HN 0.611 nan 8.370 nan 0.000 0.460 287 H N -0.330 118.562 119.070 -0.296 0.000 2.319 287 H HA -0.113 4.442 4.556 -0.001 0.000 0.299 287 H C 2.292 177.486 175.328 -0.223 0.000 1.092 287 H CA 1.247 57.110 56.048 -0.309 0.000 1.302 287 H CB 0.005 29.508 29.762 -0.433 0.000 1.373 287 H HN 0.212 nan 8.280 nan 0.000 0.497 288 I N 0.516 120.984 120.570 -0.171 0.000 2.163 288 I HA -0.266 3.904 4.170 -0.001 0.000 0.243 288 I C 2.545 178.563 176.117 -0.165 0.000 1.085 288 I CA 1.674 62.851 61.300 -0.204 0.000 1.347 288 I CB -0.241 37.669 38.000 -0.150 0.000 1.044 288 I HN 0.368 nan 8.210 nan 0.000 0.408 289 S N -0.363 115.266 115.700 -0.119 0.000 2.562 289 S HA 0.066 4.535 4.470 -0.001 0.000 0.221 289 S C 0.739 175.255 174.600 -0.138 0.000 0.975 289 S CA 0.134 58.281 58.200 -0.090 0.000 0.918 289 S CB -0.148 63.028 63.200 -0.040 0.000 0.772 289 S HN 0.366 nan 8.310 nan 0.000 0.531 290 N N 2.202 120.754 118.700 -0.246 0.000 2.765 290 N HA 0.222 4.961 4.740 -0.001 0.000 0.277 290 N C -1.392 173.595 175.510 -0.871 0.000 1.750 290 N CA -0.052 52.644 53.050 -0.591 0.000 0.827 290 N CB 1.101 39.409 38.487 -0.299 0.000 1.200 290 N HN 0.509 nan 8.380 nan 0.000 0.494 291 Q N 0.964 120.394 119.800 -0.617 0.000 2.503 291 Q HA 0.330 4.670 4.340 -0.001 0.000 0.227 291 Q C -0.696 175.136 176.000 -0.281 0.000 1.109 291 Q CA -0.301 55.271 55.803 -0.385 0.000 0.922 291 Q CB 0.330 28.954 28.738 -0.190 0.000 1.249 291 Q HN 0.226 nan 8.270 nan 0.000 0.530 292 F N 0.757 120.800 119.950 0.155 0.000 2.379 292 F HA 0.570 5.097 4.527 -0.001 0.000 0.332 292 F C 0.349 176.265 175.800 0.193 0.000 1.096 292 F CA -1.105 57.003 58.000 0.181 0.000 1.105 292 F CB 0.842 39.925 39.000 0.140 0.000 1.189 292 F HN 0.041 nan 8.300 nan 0.000 0.515 293 V N 0.419 120.591 119.914 0.431 0.000 2.925 293 V HA 0.828 4.947 4.120 -0.001 0.000 0.311 293 V C -0.574 175.756 176.094 0.393 0.000 1.104 293 V CA -1.421 61.097 62.300 0.363 0.000 0.954 293 V CB 1.569 33.588 31.823 0.327 0.000 1.022 293 V HN 0.970 nan 8.190 nan 0.000 0.427 294 A N 2.237 125.276 122.820 0.365 0.000 2.260 294 A HA 0.847 5.166 4.320 -0.001 0.000 0.314 294 A C -0.844 176.975 177.584 0.392 0.000 1.257 294 A CA -0.178 52.067 52.037 0.346 0.000 0.871 294 A CB 0.718 19.902 19.000 0.307 0.000 1.166 294 A HN 0.760 nan 8.150 nan 0.000 0.522 295 F N 1.880 121.978 119.950 0.247 0.000 3.034 295 F HA 0.445 4.971 4.527 -0.001 0.000 0.165 295 F C 0.828 176.665 175.800 0.062 0.000 1.484 295 F CA -0.664 57.422 58.000 0.143 0.000 0.903 295 F CB 0.330 39.415 39.000 0.142 0.000 2.041 295 F HN 0.466 nan 8.300 nan 0.000 0.436 296 R N 2.182 122.558 120.500 -0.206 0.000 2.853 296 R HA 0.107 4.447 4.340 -0.001 0.000 0.238 296 R C -0.162 176.130 176.300 -0.013 0.000 1.538 296 R CA 0.079 56.032 56.100 -0.246 0.000 1.166 296 R CB -0.388 29.763 30.300 -0.249 0.000 1.201 296 R HN 0.289 nan 8.270 nan 0.000 0.606 297 R N 1.152 121.640 120.500 -0.021 0.000 3.591 297 R HA -0.227 4.113 4.340 -0.001 0.000 0.268 297 R C -0.788 175.530 176.300 0.030 0.000 1.102 297 R CA 1.303 57.411 56.100 0.013 0.000 0.732 297 R CB -1.091 29.206 30.300 -0.006 0.000 1.117 297 R HN 0.538 nan 8.270 nan 0.000 0.472 298 K N -0.251 120.188 120.400 0.065 0.000 2.502 298 K HA 0.505 4.824 4.320 -0.001 0.000 0.257 298 K C -0.200 176.366 176.600 -0.058 0.000 0.938 298 K CA -0.795 55.452 56.287 -0.067 0.000 0.819 298 K CB 1.814 34.193 32.500 -0.202 0.000 1.333 298 K HN -0.053 nan 8.250 nan 0.000 0.434 299 I N 3.691 124.174 120.570 -0.146 0.000 2.361 299 I HA 0.242 4.411 4.170 -0.001 0.000 0.282 299 I C -0.898 175.218 176.117 -0.002 0.000 1.075 299 I CA -0.629 60.685 61.300 0.023 0.000 1.205 299 I CB 0.094 38.120 38.000 0.043 0.000 1.406 299 I HN 0.408 nan 8.210 nan 0.000 0.481 300 Y N 4.358 124.811 120.300 0.254 0.000 2.316 300 Y HA 0.382 4.932 4.550 -0.001 0.000 0.324 300 Y C 0.546 176.636 175.900 0.317 0.000 1.267 300 Y CA -0.605 57.649 58.100 0.257 0.000 1.311 300 Y CB 0.746 39.369 38.460 0.270 0.000 1.267 300 Y HN 0.308 nan 8.280 nan 0.000 0.516 301 K N 2.172 122.841 120.400 0.449 0.000 2.240 301 K HA 0.095 4.414 4.320 -0.001 0.000 0.271 301 K C -1.019 175.790 176.600 0.349 0.000 1.018 301 K CA -0.549 55.999 56.287 0.435 0.000 0.874 301 K CB 1.126 33.866 32.500 0.400 0.000 1.098 301 K HN 0.646 nan 8.250 nan 0.000 0.458 302 W N 5.253 126.639 121.300 0.143 0.000 2.335 302 W HA 0.107 4.767 4.660 -0.001 0.000 0.306 302 W C -0.194 176.355 176.519 0.050 0.000 1.216 302 W CA -0.058 57.344 57.345 0.094 0.000 1.237 302 W CB 0.515 30.004 29.460 0.050 0.000 1.243 302 W HN 0.697 nan 8.180 nan 0.000 0.493 303 N N 3.572 122.216 118.700 -0.093 0.000 2.517 303 N HA -0.051 4.688 4.740 -0.001 0.000 0.285 303 N C -0.801 174.702 175.510 -0.012 0.000 1.528 303 N CA -0.431 52.616 53.050 -0.005 0.000 0.892 303 N CB 0.082 38.578 38.487 0.014 0.000 1.356 303 N HN 0.379 nan 8.380 nan 0.000 0.495 304 H N 1.046 119.966 119.070 -0.250 0.000 2.530 304 H HA 0.400 4.956 4.556 -0.001 0.000 0.246 304 H C 0.957 176.316 175.328 0.051 0.000 1.346 304 H CA 0.787 56.700 56.048 -0.225 0.000 1.424 304 H CB -0.006 29.328 29.762 -0.713 0.000 1.445 304 H HN 0.523 nan 8.280 nan 0.000 0.511 305 G N 2.355 111.083 108.800 -0.120 0.000 2.564 305 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.273 305 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.273 305 G C -0.449 174.420 174.900 -0.051 0.000 1.242 305 G CA 0.042 45.041 45.100 -0.167 0.000 0.951 305 G HN 0.622 nan 8.290 nan 0.000 0.564 306 L N -0.129 121.041 121.223 -0.089 0.000 2.399 306 L HA 0.631 4.970 4.340 -0.001 0.000 0.266 306 L C 0.726 177.546 176.870 -0.083 0.000 1.114 306 L CA -0.750 54.047 54.840 -0.071 0.000 0.804 306 L CB 1.079 43.114 42.059 -0.041 0.000 1.146 306 L HN 0.468 nan 8.230 nan 0.000 0.451 307 L N 1.973 123.057 121.223 -0.231 0.000 2.289 307 L HA 0.284 4.623 4.340 -0.001 0.000 0.285 307 L C 0.153 176.797 176.870 -0.375 0.000 1.049 307 L CA -0.317 54.261 54.840 -0.436 0.000 0.804 307 L CB 1.250 42.965 42.059 -0.574 0.000 1.195 307 L HN 0.578 nan 8.230 nan 0.000 0.428 308 Q N 2.055 121.577 119.800 -0.463 0.000 2.313 308 Q HA 0.228 4.568 4.340 -0.001 0.000 0.266 308 Q C 0.870 176.656 176.000 -0.356 0.000 0.989 308 Q CA 0.822 56.309 55.803 -0.527 0.000 0.890 308 Q CB 1.054 29.461 28.738 -0.552 0.000 1.200 308 Q HN 0.972 nan 8.270 nan 0.000 0.396 309 G N 3.204 111.829 108.800 -0.292 0.000 2.195 309 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.224 309 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.224 309 G C -0.188 174.617 174.900 -0.158 0.000 0.990 309 G CA 0.040 45.028 45.100 -0.186 0.000 0.639 309 G HN 0.661 nan 8.290 nan 0.000 0.514 310 D N 1.107 121.387 120.400 -0.201 0.000 2.264 310 D HA 0.528 5.167 4.640 -0.001 0.000 0.250 310 D C 0.030 176.211 176.300 -0.198 0.000 1.113 310 D CA -1.503 52.375 54.000 -0.204 0.000 0.871 310 D CB 1.435 42.069 40.800 -0.276 0.000 1.167 310 D HN 0.041 nan 8.370 nan 0.000 0.447 311 P HA -0.134 nan 4.420 nan 0.000 0.221 311 P C 1.223 178.403 177.300 -0.201 0.000 1.145 311 P CA 0.882 63.838 63.100 -0.239 0.000 0.795 311 P CB 0.352 31.801 31.700 -0.417 0.000 0.775 312 L N -1.065 120.008 121.223 -0.250 0.000 2.298 312 L HA 0.015 4.354 4.340 -0.001 0.000 0.209 312 L C 2.508 179.327 176.870 -0.085 0.000 1.084 312 L CA 0.702 55.464 54.840 -0.131 0.000 0.816 312 L CB -0.716 41.283 42.059 -0.101 0.000 0.967 312 L HN -0.062 nan 8.230 nan 0.000 0.460 313 S N 0.516 116.165 115.700 -0.085 0.000 2.387 313 S HA -0.170 4.299 4.470 -0.001 0.000 0.230 313 S C 2.023 176.735 174.600 0.185 0.000 1.035 313 S CA 1.361 59.587 58.200 0.043 0.000 1.014 313 S CB -0.559 62.692 63.200 0.086 0.000 0.836 313 S HN 0.616 nan 8.310 nan 0.000 0.466 314 G N 1.220 110.128 108.800 0.179 0.000 2.491 314 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.218 314 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.218 314 G C 1.883 176.807 174.900 0.040 0.000 1.180 314 G CA 1.377 46.603 45.100 0.210 0.000 0.774 314 G HN 0.729 nan 8.290 nan 0.000 0.562 315 C N -0.226 119.033 119.300 -0.068 0.000 2.486 315 C HA 0.321 4.781 4.460 -0.001 0.000 0.279 315 C C 2.774 177.565 174.990 -0.331 0.000 1.302 315 C CA 0.343 59.107 59.018 -0.423 0.000 1.720 315 C CB -1.289 26.156 27.740 -0.492 0.000 2.030 315 C HN 0.279 nan 8.230 nan 0.000 0.490 316 L N 0.664 121.771 121.223 -0.193 0.000 2.127 316 L HA -0.169 4.170 4.340 -0.001 0.000 0.211 316 L C 3.042 179.821 176.870 -0.152 0.000 1.089 316 L CA 1.620 56.365 54.840 -0.158 0.000 0.757 316 L CB -0.666 41.317 42.059 -0.128 0.000 0.899 316 L HN 0.577 nan 8.230 nan 0.000 0.434 317 C N 0.076 119.249 119.300 -0.211 0.000 2.453 317 C HA -0.144 4.315 4.460 -0.001 0.000 0.277 317 C C 2.673 177.558 174.990 -0.177 0.000 1.262 317 C CA 0.894 59.753 59.018 -0.264 0.000 1.718 317 C CB -0.460 26.877 27.740 -0.672 0.000 2.031 317 C HN 0.503 nan 8.230 nan 0.000 0.480 318 E N -0.208 119.861 120.200 -0.218 0.000 2.204 318 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 318 E C 2.056 178.528 176.600 -0.213 0.000 0.990 318 E CA 0.626 56.909 56.400 -0.195 0.000 0.821 318 E CB -0.107 29.470 29.700 -0.205 0.000 0.750 318 E HN 0.562 nan 8.360 nan 0.000 0.477 319 L N -0.141 120.945 121.223 -0.228 0.000 2.095 319 L HA -0.123 4.217 4.340 -0.001 0.000 0.204 319 L C 2.064 178.834 176.870 -0.168 0.000 1.080 319 L CA 1.439 56.117 54.840 -0.269 0.000 0.759 319 L CB -0.348 41.579 42.059 -0.220 0.000 0.914 319 L HN 0.237 nan 8.230 nan 0.000 0.439 320 Y N 0.030 120.241 120.300 -0.150 0.000 2.263 320 Y HA -0.179 4.371 4.550 -0.001 0.000 0.292 320 Y C 2.561 178.521 175.900 0.100 0.000 1.130 320 Y CA 1.382 59.480 58.100 -0.003 0.000 1.179 320 Y CB 0.024 38.467 38.460 -0.027 0.000 0.998 320 Y HN 0.075 nan 8.280 nan 0.000 0.532 321 M N -0.164 119.429 119.600 -0.013 0.000 2.132 321 M HA -0.065 4.415 4.480 -0.001 0.000 0.263 321 M C 2.360 178.653 176.300 -0.012 0.000 1.065 321 M CA 1.520 56.808 55.300 -0.019 0.000 1.122 321 M CB -1.513 31.059 32.600 -0.047 0.000 1.365 321 M HN 0.437 nan 8.290 nan 0.000 0.411 322 A N -0.855 121.906 122.820 -0.099 0.000 2.119 322 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 322 A C 1.973 179.544 177.584 -0.023 0.000 1.153 322 A CA 0.735 52.706 52.037 -0.110 0.000 0.692 322 A CB -0.792 18.054 19.000 -0.257 0.000 0.799 322 A HN 0.417 nan 8.150 nan 0.000 0.458 323 F N 0.183 120.001 119.950 -0.220 0.000 2.118 323 F HA -0.078 4.449 4.527 -0.001 0.000 0.293 323 F C 2.243 178.049 175.800 0.010 0.000 1.102 323 F CA 1.629 59.621 58.000 -0.014 0.000 1.247 323 F CB -0.334 38.624 39.000 -0.070 0.000 1.017 323 F HN 0.081 nan 8.300 nan 0.000 0.475 324 M N 0.244 119.709 119.600 -0.225 0.000 2.082 324 M HA -0.257 4.222 4.480 -0.001 0.000 0.258 324 M C 1.972 178.323 176.300 0.085 0.000 1.069 324 M CA 2.185 57.363 55.300 -0.204 0.000 1.102 324 M CB -1.232 31.310 32.600 -0.097 0.000 1.336 324 M HN 0.205 nan 8.290 nan 0.000 0.404 325 D N 0.038 120.581 120.400 0.239 0.000 2.149 325 D HA -0.207 4.432 4.640 -0.001 0.000 0.194 325 D C 2.035 178.524 176.300 0.314 0.000 1.001 325 D CA 1.420 55.649 54.000 0.382 0.000 0.849 325 D CB -0.086 40.813 40.800 0.165 0.000 0.939 325 D HN 0.221 nan 8.370 nan 0.000 0.449 326 R N -0.971 119.595 120.500 0.110 0.000 2.236 326 R HA -0.003 4.336 4.340 -0.001 0.000 0.208 326 R C 1.684 177.893 176.300 -0.151 0.000 1.036 326 R CA 0.256 56.376 56.100 0.034 0.000 1.001 326 R CB 0.027 30.381 30.300 0.091 0.000 0.896 326 R HN 0.156 nan 8.270 nan 0.000 0.464 327 L N -0.830 120.185 121.223 -0.346 0.000 2.034 327 L HA -0.065 4.274 4.340 -0.001 0.000 0.203 327 L C 0.942 177.368 176.870 -0.740 0.000 1.074 327 L CA 1.722 56.135 54.840 -0.711 0.000 0.748 327 L CB -0.340 41.028 42.059 -1.152 0.000 0.905 327 L HN 0.158 nan 8.230 nan 0.000 0.439 328 Y N -3.299 116.809 120.300 -0.320 0.000 2.696 328 Y HA 0.273 4.822 4.550 -0.001 0.000 0.260 328 Y C 0.422 175.846 175.900 -0.793 0.000 1.165 328 Y CA -0.405 57.362 58.100 -0.555 0.000 1.189 328 Y CB -0.087 37.931 38.460 -0.738 0.000 1.180 328 Y HN -0.043 nan 8.280 nan 0.000 0.538 329 F N -1.361 118.614 119.950 0.043 0.000 2.815 329 F HA 0.157 4.683 4.527 -0.001 0.000 0.323 329 F C 1.726 177.563 175.800 0.062 0.000 1.151 329 F CA -0.303 57.756 58.000 0.098 0.000 1.191 329 F CB 0.310 39.432 39.000 0.203 0.000 1.069 329 F HN 0.016 nan 8.300 nan 0.000 0.514 330 S N -0.097 115.662 115.700 0.098 0.000 2.329 330 S HA -0.158 4.312 4.470 -0.001 0.000 0.215 330 S C 1.277 175.915 174.600 0.063 0.000 1.031 330 S CA 1.024 59.259 58.200 0.058 0.000 0.985 330 S CB -0.604 62.588 63.200 -0.013 0.000 0.917 330 S HN 0.333 nan 8.310 nan 0.000 0.441 331 N N 1.551 120.269 118.700 0.030 0.000 3.254 331 N HA 0.262 5.002 4.740 -0.001 0.000 0.308 331 N C -0.993 174.559 175.510 0.070 0.000 1.281 331 N CA -0.108 52.963 53.050 0.034 0.000 1.212 331 N CB -0.919 37.568 38.487 -0.000 0.000 1.478 331 N HN 0.435 nan 8.380 nan 0.000 0.548 332 L N 0.032 121.330 121.223 0.125 0.000 2.325 332 L HA 0.254 4.594 4.340 -0.001 0.000 0.279 332 L C 0.475 177.452 176.870 0.179 0.000 1.054 332 L CA -1.086 53.866 54.840 0.185 0.000 0.804 332 L CB 0.802 43.027 42.059 0.276 0.000 1.200 332 L HN 0.250 nan 8.230 nan 0.000 0.436 333 D N 2.249 122.783 120.400 0.222 0.000 2.662 333 D HA -0.146 4.493 4.640 -0.001 0.000 0.233 333 D C 0.937 177.326 176.300 0.150 0.000 1.129 333 D CA 0.622 54.735 54.000 0.188 0.000 0.851 333 D CB 0.785 41.737 40.800 0.253 0.000 1.152 333 D HN 0.449 nan 8.370 nan 0.000 0.507 334 K N 2.765 123.227 120.400 0.102 0.000 2.209 334 K HA -0.147 4.172 4.320 -0.001 0.000 0.204 334 K C 0.736 177.381 176.600 0.075 0.000 1.048 334 K CA 1.120 57.451 56.287 0.073 0.000 0.940 334 K CB 0.253 32.785 32.500 0.053 0.000 0.729 334 K HN 0.326 nan 8.250 nan 0.000 0.451 335 D N 0.320 120.779 120.400 0.100 0.000 2.340 335 D HA 0.085 4.724 4.640 -0.001 0.000 0.220 335 D C 0.021 176.429 176.300 0.179 0.000 1.039 335 D CA 0.322 54.392 54.000 0.117 0.000 0.866 335 D CB 0.363 41.226 40.800 0.105 0.000 0.913 335 D HN 0.332 nan 8.370 nan 0.000 0.523 336 A N 0.161 123.059 122.820 0.128 0.000 2.257 336 A HA 0.489 4.809 4.320 -0.001 0.000 0.289 336 A C -0.533 176.924 177.584 -0.211 0.000 1.095 336 A CA -0.495 51.538 52.037 -0.006 0.000 0.836 336 A CB 0.460 19.463 19.000 0.005 0.000 1.111 336 A HN 0.131 nan 8.150 nan 0.000 0.497 337 F N 0.420 119.831 119.950 -0.900 0.000 2.436 337 F HA 0.666 5.192 4.527 -0.001 0.000 0.340 337 F C -0.962 174.385 175.800 -0.756 0.000 1.113 337 F CA -0.763 56.656 58.000 -0.968 0.000 1.022 337 F CB 0.983 38.939 39.000 -1.739 0.000 1.128 337 F HN 0.357 nan 8.300 nan 0.000 0.466 338 I N 5.495 125.511 120.570 -0.924 0.000 2.686 338 I HA 0.452 4.621 4.170 -0.001 0.000 0.295 338 I C -1.074 174.642 176.117 -0.668 0.000 1.114 338 I CA -0.605 60.357 61.300 -0.565 0.000 1.038 338 I CB 2.102 39.996 38.000 -0.178 0.000 1.238 338 I HN 0.569 nan 8.210 nan 0.000 0.420 339 H N 4.333 123.096 119.070 -0.511 0.000 3.099 339 H HA 0.490 5.046 4.556 -0.001 0.000 0.342 339 H C -1.701 173.529 175.328 -0.164 0.000 1.054 339 H CA -0.672 55.190 56.048 -0.311 0.000 1.328 339 H CB 2.569 32.199 29.762 -0.220 0.000 1.876 339 H HN 0.744 nan 8.280 nan 0.000 0.495 340 R N 2.418 122.699 120.500 -0.365 0.000 2.803 340 R HA 0.500 4.839 4.340 -0.001 0.000 0.276 340 R C -0.378 175.831 176.300 -0.152 0.000 0.978 340 R CA -0.179 55.696 56.100 -0.375 0.000 0.939 340 R CB 1.943 31.744 30.300 -0.833 0.000 1.179 340 R HN 0.772 nan 8.270 nan 0.000 0.472 341 T N -1.513 112.999 114.554 -0.071 0.000 2.555 341 T HA 0.188 4.537 4.350 -0.001 0.000 0.234 341 T C 1.519 176.162 174.700 -0.095 0.000 0.837 341 T CA 0.082 62.146 62.100 -0.060 0.000 1.163 341 T CB -0.308 68.531 68.868 -0.048 0.000 1.556 341 T HN 0.311 nan 8.240 nan 0.000 0.520 342 V N 1.002 120.880 119.914 -0.061 0.000 2.220 342 V HA -0.077 4.042 4.120 -0.001 0.000 0.250 342 V C 0.948 176.994 176.094 -0.079 0.000 1.056 342 V CA 2.310 64.576 62.300 -0.057 0.000 1.016 342 V CB -1.555 30.256 31.823 -0.020 0.000 0.639 342 V HN 0.997 nan 8.190 nan 0.000 0.446 343 D N -1.830 118.542 120.400 -0.046 0.000 2.822 343 D HA 0.269 4.909 4.640 -0.001 0.000 0.327 343 D C -0.816 175.518 176.300 0.057 0.000 1.577 343 D CA -0.251 53.726 54.000 -0.038 0.000 0.785 343 D CB -0.299 40.470 40.800 -0.052 0.000 1.199 343 D HN 0.508 nan 8.370 nan 0.000 0.443 344 D N 0.703 121.163 120.400 0.100 0.000 2.593 344 D HA 0.197 4.837 4.640 -0.001 0.000 0.251 344 D C -0.785 175.707 176.300 0.319 0.000 1.140 344 D CA -0.314 53.833 54.000 0.245 0.000 0.855 344 D CB 1.402 42.350 40.800 0.248 0.000 1.267 344 D HN -0.008 nan 8.370 nan 0.000 0.532 345 Y N 0.924 121.337 120.300 0.189 0.000 2.419 345 Y HA 0.473 5.023 4.550 -0.001 0.000 0.328 345 Y C -0.181 175.814 175.900 0.158 0.000 1.162 345 Y CA -0.931 57.277 58.100 0.180 0.000 1.174 345 Y CB 1.307 39.933 38.460 0.278 0.000 1.228 345 Y HN 0.236 nan 8.280 nan 0.000 0.473 346 F N 5.039 124.918 119.950 -0.119 0.000 2.902 346 F HA 0.346 4.872 4.527 -0.001 0.000 0.368 346 F C -2.086 173.625 175.800 -0.148 0.000 1.202 346 F CA -2.009 55.807 58.000 -0.307 0.000 1.109 346 F CB 0.199 38.600 39.000 -0.999 0.000 1.418 346 F HN 0.291 nan 8.300 nan 0.000 0.527 347 F N 5.908 125.616 119.950 -0.403 0.000 2.427 347 F HA 0.674 5.201 4.527 -0.001 0.000 0.346 347 F C -0.869 174.641 175.800 -0.483 0.000 1.120 347 F CA -0.516 57.093 58.000 -0.651 0.000 1.033 347 F CB 0.651 38.836 39.000 -1.358 0.000 1.126 347 F HN 0.449 nan 8.300 nan 0.000 0.462 348 C N 3.171 121.736 119.300 -1.224 0.000 2.719 348 C HA 0.889 5.349 4.460 -0.001 0.000 0.327 348 C C -0.386 173.981 174.990 -1.039 0.000 1.238 348 C CA -0.685 57.732 59.018 -1.001 0.000 1.727 348 C CB 1.532 28.584 27.740 -1.146 0.000 2.256 348 C HN 0.871 nan 8.230 nan 0.000 0.489 349 S N 0.473 116.016 115.700 -0.261 0.000 2.580 349 S HA 0.452 4.921 4.470 -0.001 0.000 0.281 349 S C -2.511 172.197 174.600 0.181 0.000 1.129 349 S CA -0.509 57.727 58.200 0.059 0.000 0.862 349 S CB 1.716 64.935 63.200 0.031 0.000 1.090 349 S HN 0.533 nan 8.310 nan 0.000 0.451 350 P HA 0.046 nan 4.420 nan 0.000 0.229 350 P C -0.301 176.888 177.300 -0.186 0.000 1.160 350 P CA 0.756 63.768 63.100 -0.147 0.000 0.777 350 P CB -0.246 31.209 31.700 -0.407 0.000 0.814 351 H N 0.178 119.319 119.070 0.119 0.000 2.690 351 H HA 0.240 4.795 4.556 -0.001 0.000 0.289 351 H C -1.754 173.605 175.328 0.051 0.000 1.089 351 H CA -2.144 53.943 56.048 0.064 0.000 1.299 351 H CB 0.953 30.771 29.762 0.093 0.000 1.405 351 H HN 0.022 nan 8.280 nan 0.000 0.463 352 P HA -0.159 nan 4.420 nan 0.000 0.216 352 P C 1.506 178.883 177.300 0.129 0.000 1.153 352 P CA 1.297 64.265 63.100 -0.220 0.000 0.848 352 P CB 0.214 31.501 31.700 -0.688 0.000 0.787 353 H N -0.225 118.868 119.070 0.038 0.000 2.387 353 H HA -0.104 4.452 4.556 -0.001 0.000 0.299 353 H C 1.840 177.294 175.328 0.210 0.000 1.099 353 H CA 1.256 57.353 56.048 0.081 0.000 1.315 353 H CB 0.172 29.936 29.762 0.002 0.000 1.380 353 H HN 0.007 nan 8.280 nan 0.000 0.513 354 K N -0.428 120.200 120.400 0.380 0.000 2.097 354 K HA -0.085 4.235 4.320 -0.001 0.000 0.205 354 K C 2.126 178.986 176.600 0.434 0.000 1.050 354 K CA 1.076 57.581 56.287 0.362 0.000 0.938 354 K CB 0.211 32.965 32.500 0.424 0.000 0.718 354 K HN 0.102 nan 8.250 nan 0.000 0.442 355 V N 0.606 120.860 119.914 0.567 0.000 2.307 355 V HA -0.276 3.844 4.120 -0.001 0.000 0.245 355 V C 1.967 178.319 176.094 0.429 0.000 1.045 355 V CA 1.721 64.383 62.300 0.603 0.000 1.024 355 V CB -0.581 31.560 31.823 0.529 0.000 0.651 355 V HN 0.288 nan 8.190 nan 0.000 0.449 356 Y N 1.617 122.076 120.300 0.266 0.000 2.069 356 Y HA -0.339 4.210 4.550 -0.001 0.000 0.278 356 Y C 2.391 178.393 175.900 0.170 0.000 1.175 356 Y CA 2.397 60.618 58.100 0.202 0.000 1.134 356 Y CB -0.319 38.218 38.460 0.130 0.000 0.965 356 Y HN 0.332 nan 8.280 nan 0.000 0.498 357 D N -0.561 120.028 120.400 0.315 0.000 2.183 357 D HA -0.176 4.464 4.640 -0.001 0.000 0.203 357 D C 1.990 178.277 176.300 -0.022 0.000 0.969 357 D CA 1.207 55.289 54.000 0.137 0.000 0.842 357 D CB -0.755 40.154 40.800 0.182 0.000 0.957 357 D HN 0.452 nan 8.370 nan 0.000 0.484 358 F N 2.165 122.007 119.950 -0.180 0.000 2.091 358 F HA -0.215 4.311 4.527 -0.001 0.000 0.299 358 F C 2.273 177.984 175.800 -0.150 0.000 1.103 358 F CA 1.807 59.625 58.000 -0.303 0.000 1.228 358 F CB -0.106 38.471 39.000 -0.705 0.000 0.984 358 F HN -0.101 nan 8.300 nan 0.000 0.477 359 E N 0.402 120.562 120.200 -0.066 0.000 2.085 359 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 359 E C 2.290 178.739 176.600 -0.252 0.000 0.994 359 E CA 1.792 58.112 56.400 -0.134 0.000 0.801 359 E CB -0.380 29.333 29.700 0.022 0.000 0.743 359 E HN 0.578 nan 8.360 nan 0.000 0.453 360 L N 0.335 121.401 121.223 -0.262 0.000 2.046 360 L HA -0.194 4.145 4.340 -0.001 0.000 0.208 360 L C 2.683 179.389 176.870 -0.273 0.000 1.077 360 L CA 0.725 55.416 54.840 -0.248 0.000 0.747 360 L CB -0.390 41.539 42.059 -0.217 0.000 0.896 360 L HN 0.295 nan 8.230 nan 0.000 0.432 361 L N -0.509 120.514 121.223 -0.333 0.000 2.017 361 L HA -0.216 4.124 4.340 -0.001 0.000 0.208 361 L C 2.301 178.886 176.870 -0.476 0.000 1.073 361 L CA 1.670 56.261 54.840 -0.416 0.000 0.745 361 L CB -0.469 41.318 42.059 -0.454 0.000 0.894 361 L HN 0.110 nan 8.230 nan 0.000 0.432 362 I N -0.273 119.976 120.570 -0.535 0.000 2.454 362 I HA -0.255 3.914 4.170 -0.001 0.000 0.254 362 I C 2.184 178.156 176.117 -0.241 0.000 1.156 362 I CA 1.429 62.471 61.300 -0.430 0.000 1.433 362 I CB -0.548 37.011 38.000 -0.734 0.000 1.082 362 I HN 0.427 nan 8.210 nan 0.000 0.432 363 K N -0.411 119.850 120.400 -0.232 0.000 2.365 363 K HA 0.028 4.348 4.320 -0.001 0.000 0.197 363 K C 1.932 178.429 176.600 -0.171 0.000 1.042 363 K CA 0.759 56.958 56.287 -0.146 0.000 0.987 363 K CB -0.053 32.374 32.500 -0.123 0.000 0.779 363 K HN 0.349 nan 8.250 nan 0.000 0.484 364 G N 0.481 109.128 108.800 -0.254 0.000 2.411 364 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.213 364 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.213 364 G C 1.446 176.117 174.900 -0.382 0.000 1.166 364 G CA 0.208 45.135 45.100 -0.289 0.000 0.802 364 G HN 0.042 nan 8.290 nan 0.000 0.533 365 V N -0.609 118.999 119.914 -0.509 0.000 2.535 365 V HA 0.176 4.295 4.120 -0.001 0.000 0.246 365 V C 0.907 176.652 176.094 -0.582 0.000 1.045 365 V CA 0.794 62.659 62.300 -0.725 0.000 1.058 365 V CB -0.482 30.782 31.823 -0.932 0.000 0.689 365 V HN 0.252 nan 8.190 nan 0.000 0.461 366 Y N -1.134 119.068 120.300 -0.163 0.000 2.753 366 Y HA 0.631 5.181 4.550 -0.001 0.000 0.324 366 Y C 0.174 176.029 175.900 -0.076 0.000 1.147 366 Y CA -1.639 56.409 58.100 -0.088 0.000 1.173 366 Y CB 1.005 39.418 38.460 -0.079 0.000 1.361 366 Y HN -0.032 nan 8.280 nan 0.000 0.545 367 Q N 1.421 121.329 119.800 0.179 0.000 2.312 367 Q HA 0.711 5.050 4.340 -0.001 0.000 0.263 367 Q C -1.638 174.398 176.000 0.060 0.000 0.995 367 Q CA -0.907 54.946 55.803 0.083 0.000 0.853 367 Q CB 1.942 30.728 28.738 0.080 0.000 1.300 367 Q HN 0.622 nan 8.270 nan 0.000 0.448 368 V N 0.828 120.765 119.914 0.038 0.000 3.001 368 V HA 0.602 4.722 4.120 -0.001 0.000 0.314 368 V C -0.872 175.240 176.094 0.031 0.000 1.099 368 V CA -1.089 61.229 62.300 0.030 0.000 0.989 368 V CB 2.172 34.013 31.823 0.029 0.000 1.040 368 V HN 0.820 nan 8.190 nan 0.000 0.434 369 N N 3.305 122.023 118.700 0.029 0.000 2.558 369 N HA 0.338 5.078 4.740 -0.001 0.000 0.233 369 N C -2.129 173.401 175.510 0.034 0.000 1.038 369 N CA -1.169 51.897 53.050 0.027 0.000 0.934 369 N CB 1.699 40.196 38.487 0.017 0.000 1.175 369 N HN 0.552 nan 8.380 nan 0.000 0.512 370 P HA -0.120 nan 4.420 nan 0.000 0.218 370 P C 1.531 178.864 177.300 0.055 0.000 1.148 370 P CA 1.147 64.284 63.100 0.063 0.000 0.822 370 P CB 0.313 32.050 31.700 0.061 0.000 0.784 371 T N -1.296 113.275 114.554 0.029 0.000 2.881 371 T HA -0.110 4.240 4.350 -0.001 0.000 0.270 371 T C 1.427 176.122 174.700 -0.009 0.000 1.068 371 T CA 1.279 63.381 62.100 0.004 0.000 1.131 371 T CB -0.568 68.295 68.868 -0.008 0.000 0.871 371 T HN 0.081 nan 8.240 nan 0.000 0.479 372 K N 0.694 121.095 120.400 0.001 0.000 2.387 372 K HA 0.147 4.466 4.320 -0.001 0.000 0.198 372 K C 0.087 176.690 176.600 0.006 0.000 1.022 372 K CA -0.076 56.207 56.287 -0.007 0.000 1.128 372 K CB 0.565 33.060 32.500 -0.008 0.000 0.853 372 K HN 0.196 nan 8.250 nan 0.000 0.523 373 T N 2.215 116.783 114.554 0.023 0.000 2.794 373 T HA 0.229 4.578 4.350 -0.001 0.000 0.296 373 T C -0.104 174.588 174.700 -0.014 0.000 0.949 373 T CA -0.257 61.860 62.100 0.028 0.000 1.101 373 T CB 0.680 69.587 68.868 0.064 0.000 0.905 373 T HN -0.063 nan 8.240 nan 0.000 0.516 374 R N 2.268 122.754 120.500 -0.023 0.000 2.480 374 R HA 0.729 5.069 4.340 -0.001 0.000 0.306 374 R C -0.138 176.137 176.300 -0.041 0.000 0.958 374 R CA -0.569 55.506 56.100 -0.042 0.000 0.861 374 R CB 1.775 32.048 30.300 -0.043 0.000 1.171 374 R HN 0.718 nan 8.270 nan 0.000 0.445 375 T N 0.312 114.825 114.554 -0.069 0.000 2.739 375 T HA 0.262 4.611 4.350 -0.001 0.000 0.303 375 T C -0.606 174.101 174.700 0.010 0.000 1.389 375 T CA -0.591 61.489 62.100 -0.034 0.000 1.001 375 T CB 1.026 69.806 68.868 -0.147 0.000 1.436 375 T HN 0.661 nan 8.240 nan 0.000 0.500 376 N N 1.907 120.652 118.700 0.074 0.000 2.238 376 N HA 0.184 4.923 4.740 -0.001 0.000 0.235 376 N C -0.194 175.446 175.510 0.216 0.000 1.209 376 N CA -0.321 52.780 53.050 0.085 0.000 0.879 376 N CB -0.211 38.264 38.487 -0.020 0.000 1.136 376 N HN 0.492 nan 8.380 nan 0.000 0.517 377 L N 1.294 122.682 121.223 0.275 0.000 2.453 377 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 377 L C -1.029 176.024 176.870 0.305 0.000 1.182 377 L CA -1.273 53.788 54.840 0.369 0.000 0.858 377 L CB 0.854 43.166 42.059 0.421 0.000 1.120 377 L HN -0.097 nan 8.230 nan 0.000 0.474 378 P HA -0.138 nan 4.420 nan 0.000 0.220 378 P C 1.407 178.798 177.300 0.151 0.000 1.148 378 P CA 1.054 64.257 63.100 0.172 0.000 0.803 378 P CB -0.004 31.768 31.700 0.120 0.000 0.782 379 T N -5.028 109.641 114.554 0.191 0.000 3.007 379 T HA -0.115 4.235 4.350 -0.001 0.000 0.270 379 T C 0.966 175.715 174.700 0.082 0.000 1.107 379 T CA 0.890 63.081 62.100 0.151 0.000 1.118 379 T CB -0.880 68.148 68.868 0.266 0.000 0.889 379 T HN 0.188 nan 8.240 nan 0.000 0.506 380 H N 0.458 119.595 119.070 0.112 0.000 2.495 380 H HA 0.416 4.971 4.556 -0.001 0.000 0.350 380 H C 1.252 176.606 175.328 0.042 0.000 1.202 380 H CA -0.533 55.569 56.048 0.090 0.000 1.322 380 H CB 1.570 31.401 29.762 0.116 0.000 1.544 380 H HN 0.094 nan 8.280 nan 0.000 0.565 381 R N 0.229 120.810 120.500 0.135 0.000 2.223 381 R HA -0.015 4.325 4.340 -0.001 0.000 0.198 381 R C -0.210 175.905 176.300 -0.308 0.000 0.984 381 R CA 0.528 56.571 56.100 -0.096 0.000 1.018 381 R CB 0.360 30.578 30.300 -0.137 0.000 0.945 381 R HN 0.570 nan 8.270 nan 0.000 0.479 382 H N 0.232 119.374 119.070 0.120 0.000 2.348 382 H HA 0.332 4.888 4.556 -0.001 0.000 0.232 382 H C -2.448 172.919 175.328 0.065 0.000 1.419 382 H CA -2.086 54.008 56.048 0.076 0.000 1.416 382 H CB 0.925 30.721 29.762 0.056 0.000 1.510 382 H HN 0.136 nan 8.280 nan 0.000 0.507 383 P HA 0.140 nan 4.420 nan 0.000 0.271 383 P C -0.517 176.823 177.300 0.067 0.000 1.218 383 P CA -0.261 62.895 63.100 0.094 0.000 0.780 383 P CB 1.015 32.766 31.700 0.086 0.000 0.901 384 Q N 0.800 120.625 119.800 0.041 0.000 2.295 384 Q HA 0.166 4.505 4.340 -0.001 0.000 0.268 384 Q C -0.220 175.784 176.000 0.006 0.000 1.010 384 Q CA -0.579 55.237 55.803 0.021 0.000 0.856 384 Q CB 1.972 30.718 28.738 0.014 0.000 1.349 384 Q HN 0.305 nan 8.270 nan 0.000 0.412 385 D N 1.190 121.589 120.400 -0.002 0.000 2.219 385 D HA -0.098 4.542 4.640 -0.001 0.000 0.205 385 D C -0.433 175.874 176.300 0.011 0.000 0.970 385 D CA 1.334 55.331 54.000 -0.004 0.000 0.851 385 D CB 0.502 41.298 40.800 -0.006 0.000 0.943 385 D HN 0.462 nan 8.370 nan 0.000 0.488 386 E N 1.094 121.291 120.200 -0.006 0.000 2.081 386 E HA 0.215 4.564 4.350 -0.001 0.000 0.276 386 E C -0.004 176.568 176.600 -0.046 0.000 0.950 386 E CA -0.443 55.942 56.400 -0.026 0.000 0.776 386 E CB 1.589 31.262 29.700 -0.045 0.000 1.094 386 E HN 0.110 nan 8.360 nan 0.000 0.402 387 I N 1.060 121.594 120.570 -0.061 0.000 2.404 387 I HA 0.547 4.717 4.170 -0.001 0.000 0.293 387 I C -2.847 173.167 176.117 -0.172 0.000 0.992 387 I CA -3.059 58.170 61.300 -0.118 0.000 1.149 387 I CB 1.198 39.119 38.000 -0.132 0.000 1.315 387 I HN 0.180 nan 8.210 nan 0.000 0.446 388 P HA 0.376 nan 4.420 nan 0.000 0.285 388 P C -1.681 175.554 177.300 -0.109 0.000 1.259 388 P CA 0.064 63.070 63.100 -0.156 0.000 0.794 388 P CB 0.914 32.526 31.700 -0.146 0.000 0.940 389 Y N 2.198 122.349 120.300 -0.248 0.000 2.424 389 Y HA 0.207 4.757 4.550 -0.001 0.000 0.323 389 Y C -0.324 175.501 175.900 -0.125 0.000 1.174 389 Y CA -0.604 57.369 58.100 -0.211 0.000 1.060 389 Y CB 0.826 39.020 38.460 -0.443 0.000 1.314 389 Y HN 0.624 nan 8.280 nan 0.000 0.439 390 C N 4.973 123.843 119.300 -0.718 0.000 4.167 390 C HA -0.099 4.361 4.460 -0.001 0.000 0.302 390 C C 1.594 176.322 174.990 -0.436 0.000 1.384 390 C CA 1.838 60.492 59.018 -0.606 0.000 2.041 390 C CB -2.071 25.267 27.740 -0.671 0.000 1.303 390 C HN 2.069 nan 8.230 nan 0.000 0.718 391 G N 0.166 108.747 108.800 -0.365 0.000 2.187 391 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.261 391 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.261 391 G C -0.208 174.424 174.900 -0.445 0.000 1.000 391 G CA 1.314 46.200 45.100 -0.356 0.000 0.718 391 G HN 0.733 nan 8.290 nan 0.000 0.519 392 K N -1.021 119.080 120.400 -0.498 0.000 2.443 392 K HA 0.781 5.100 4.320 -0.001 0.000 0.251 392 K C -0.217 175.995 176.600 -0.647 0.000 0.972 392 K CA -0.738 55.157 56.287 -0.654 0.000 0.833 392 K CB 1.859 33.784 32.500 -0.959 0.000 1.317 392 K HN 0.107 nan 8.250 nan 0.000 0.441 393 I N 3.001 123.181 120.570 -0.650 0.000 2.354 393 I HA 0.341 4.510 4.170 -0.001 0.000 0.286 393 I C -0.987 174.778 176.117 -0.587 0.000 1.007 393 I CA -0.575 60.437 61.300 -0.481 0.000 1.167 393 I CB 0.580 38.405 38.000 -0.291 0.000 1.320 393 I HN 0.355 nan 8.210 nan 0.000 0.458 394 F N 4.822 124.546 119.950 -0.378 0.000 2.411 394 F HA 0.287 4.813 4.527 -0.001 0.000 0.355 394 F C 0.820 176.497 175.800 -0.206 0.000 1.117 394 F CA -0.543 57.183 58.000 -0.457 0.000 1.139 394 F CB 0.559 39.030 39.000 -0.882 0.000 1.120 394 F HN 0.439 nan 8.300 nan 0.000 0.493 395 N N 4.620 123.370 118.700 0.083 0.000 2.420 395 N HA 0.155 4.894 4.740 -0.001 0.000 0.249 395 N C 0.766 176.414 175.510 0.229 0.000 1.033 395 N CA -0.027 53.092 53.050 0.114 0.000 0.944 395 N CB 0.923 39.455 38.487 0.075 0.000 1.113 395 N HN 0.738 nan 8.380 nan 0.000 0.502 396 L N 2.225 123.555 121.223 0.179 0.000 2.362 396 L HA -0.107 4.233 4.340 -0.001 0.000 0.219 396 L C 1.639 178.551 176.870 0.070 0.000 1.134 396 L CA 0.919 55.870 54.840 0.185 0.000 0.807 396 L CB -0.160 41.945 42.059 0.075 0.000 0.927 396 L HN 0.510 nan 8.230 nan 0.000 0.447 397 T N -2.126 112.452 114.554 0.040 0.000 2.980 397 T HA -0.087 4.262 4.350 -0.001 0.000 0.239 397 T C 1.872 176.586 174.700 0.023 0.000 1.011 397 T CA 1.404 63.502 62.100 -0.003 0.000 1.171 397 T CB -0.175 68.679 68.868 -0.022 0.000 0.873 397 T HN 0.406 nan 8.240 nan 0.000 0.431 398 T N -0.082 114.504 114.554 0.053 0.000 3.113 398 T HA 0.130 4.479 4.350 -0.001 0.000 0.256 398 T C 1.041 175.815 174.700 0.124 0.000 1.131 398 T CA 0.235 62.374 62.100 0.065 0.000 1.074 398 T CB -0.289 68.610 68.868 0.053 0.000 0.944 398 T HN 0.388 nan 8.240 nan 0.000 0.516 399 R N -0.025 120.592 120.500 0.195 0.000 4.000 399 R HA -0.124 4.215 4.340 -0.001 0.000 0.362 399 R C -0.427 176.161 176.300 0.480 0.000 1.183 399 R CA 0.964 57.269 56.100 0.342 0.000 1.011 399 R CB -1.630 28.730 30.300 0.099 0.000 1.501 399 R HN 0.486 nan 8.270 nan 0.000 0.553 400 Q N 0.435 120.427 119.800 0.320 0.000 2.306 400 Q HA 0.463 4.803 4.340 -0.001 0.000 0.241 400 Q C 0.014 176.119 176.000 0.175 0.000 0.948 400 Q CA -0.116 55.853 55.803 0.278 0.000 0.886 400 Q CB 1.568 30.386 28.738 0.132 0.000 1.227 400 Q HN 0.031 nan 8.270 nan 0.000 0.457 401 V N 2.933 122.941 119.914 0.156 0.000 2.483 401 V HA 0.506 4.625 4.120 -0.001 0.000 0.297 401 V C -0.246 175.772 176.094 -0.128 0.000 1.027 401 V CA -0.861 61.381 62.300 -0.097 0.000 0.855 401 V CB 1.801 33.618 31.823 -0.009 0.000 0.995 401 V HN 0.585 nan 8.190 nan 0.000 0.424 402 R N 1.721 122.072 120.500 -0.248 0.000 2.807 402 R HA 0.595 4.935 4.340 -0.001 0.000 0.276 402 R C -0.378 175.728 176.300 -0.324 0.000 0.979 402 R CA -0.750 55.221 56.100 -0.215 0.000 0.928 402 R CB 1.936 32.149 30.300 -0.146 0.000 1.191 402 R HN 0.670 nan 8.270 nan 0.000 0.471 403 T N 1.931 116.284 114.554 -0.335 0.000 2.932 403 T HA 0.049 4.399 4.350 -0.001 0.000 0.312 403 T C 0.310 174.607 174.700 -0.671 0.000 1.071 403 T CA -0.205 61.566 62.100 -0.548 0.000 1.128 403 T CB 0.306 68.759 68.868 -0.692 0.000 0.984 403 T HN 0.275 nan 8.240 nan 0.000 0.549 404 L N 4.173 125.006 121.223 -0.650 0.000 2.264 404 L HA 0.385 4.724 4.340 -0.001 0.000 0.287 404 L C -1.410 175.158 176.870 -0.503 0.000 1.039 404 L CA -0.574 53.971 54.840 -0.491 0.000 0.829 404 L CB -0.297 41.546 42.059 -0.359 0.000 1.211 404 L HN 0.582 nan 8.230 nan 0.000 0.427 405 Y N 4.706 124.900 120.300 -0.177 0.000 2.434 405 Y HA 0.381 4.931 4.550 -0.001 0.000 0.341 405 Y C 0.341 176.086 175.900 -0.258 0.000 0.965 405 Y CA -0.906 57.069 58.100 -0.207 0.000 1.205 405 Y CB 0.836 39.139 38.460 -0.261 0.000 1.121 405 Y HN 0.322 nan 8.280 nan 0.000 0.507 406 K N 6.073 126.401 120.400 -0.121 0.000 2.127 406 K HA 0.262 4.581 4.320 -0.001 0.000 0.261 406 K C -0.881 175.529 176.600 -0.316 0.000 1.129 406 K CA 0.113 56.274 56.287 -0.211 0.000 0.993 406 K CB -0.015 32.352 32.500 -0.221 0.000 1.410 406 K HN 0.714 nan 8.250 nan 0.000 0.380 407 L N 4.714 125.763 121.223 -0.290 0.000 2.445 407 L HA 0.289 4.629 4.340 -0.001 0.000 0.252 407 L C -2.173 174.567 176.870 -0.216 0.000 1.105 407 L CA -1.977 52.670 54.840 -0.320 0.000 0.943 407 L CB 1.073 42.975 42.059 -0.262 0.000 1.277 407 L HN 0.141 nan 8.230 nan 0.000 0.465 408 P HA 0.121 nan 4.420 nan 0.000 0.269 408 P C -2.448 174.844 177.300 -0.013 0.000 1.217 408 P CA -0.840 62.183 63.100 -0.129 0.000 0.783 408 P CB -0.193 31.431 31.700 -0.127 0.000 0.898 409 P HA 0.056 nan 4.420 nan 0.000 0.268 409 P C -0.037 177.309 177.300 0.076 0.000 1.205 409 P CA 0.450 63.557 63.100 0.012 0.000 0.771 409 P CB 0.120 31.751 31.700 -0.115 0.000 0.858 410 N N -1.093 117.683 118.700 0.126 0.000 2.955 410 N HA -0.262 4.477 4.740 -0.001 0.000 0.230 410 N C -0.221 175.359 175.510 0.118 0.000 0.891 410 N CA 0.889 54.005 53.050 0.109 0.000 1.002 410 N CB -2.454 36.077 38.487 0.073 0.000 1.063 410 N HN 0.527 nan 8.380 nan 0.000 0.601 411 Y N 2.596 122.899 120.300 0.006 0.000 2.717 411 Y HA 0.067 4.616 4.550 -0.001 0.000 0.330 411 Y C 0.500 176.416 175.900 0.026 0.000 1.217 411 Y CA 0.217 58.314 58.100 -0.005 0.000 1.506 411 Y CB 0.401 38.833 38.460 -0.046 0.000 1.268 411 Y HN 0.033 nan 8.280 nan 0.000 0.561 412 E N 6.944 126.877 120.200 -0.445 0.000 2.129 412 E HA 0.027 4.376 4.350 -0.001 0.000 0.283 412 E C 0.737 177.077 176.600 -0.433 0.000 1.080 412 E CA -0.178 56.059 56.400 -0.270 0.000 0.867 412 E CB 0.892 30.551 29.700 -0.068 0.000 1.056 412 E HN 0.787 nan 8.360 nan 0.000 0.404 413 I N 4.855 125.303 120.570 -0.204 0.000 2.423 413 I HA -0.301 3.868 4.170 -0.001 0.000 0.254 413 I C 2.348 178.367 176.117 -0.164 0.000 1.151 413 I CA 1.538 62.749 61.300 -0.147 0.000 1.421 413 I CB -0.172 37.688 38.000 -0.234 0.000 1.079 413 I HN 0.456 nan 8.210 nan 0.000 0.431 414 R N -0.675 119.782 120.500 -0.072 0.000 2.091 414 R HA -0.223 4.116 4.340 -0.001 0.000 0.238 414 R C 2.077 178.330 176.300 -0.079 0.000 1.136 414 R CA 1.848 57.977 56.100 0.049 0.000 0.959 414 R CB -1.406 28.881 30.300 -0.022 0.000 0.856 414 R HN 0.444 nan 8.270 nan 0.000 0.437 415 H N 1.190 120.174 119.070 -0.143 0.000 2.422 415 H HA -0.008 4.548 4.556 -0.001 0.000 0.298 415 H C 1.496 176.794 175.328 -0.050 0.000 1.098 415 H CA 1.198 57.205 56.048 -0.068 0.000 1.315 415 H CB -0.020 29.632 29.762 -0.184 0.000 1.382 415 H HN 0.200 nan 8.280 nan 0.000 0.523 416 K N 0.573 120.852 120.400 -0.201 0.000 2.585 416 K HA -0.048 4.272 4.320 -0.001 0.000 0.194 416 K C -0.185 176.131 176.600 -0.473 0.000 1.037 416 K CA 0.481 56.510 56.287 -0.430 0.000 0.964 416 K CB -0.128 31.959 32.500 -0.689 0.000 0.787 416 K HN 0.094 nan 8.250 nan 0.000 0.488 417 F N 0.036 120.098 119.950 0.187 0.000 2.579 417 F HA 0.370 4.896 4.527 -0.001 0.000 0.324 417 F C 0.445 176.373 175.800 0.214 0.000 1.058 417 F CA -1.423 56.636 58.000 0.097 0.000 0.944 417 F CB 1.188 40.148 39.000 -0.068 0.000 1.245 417 F HN -0.403 nan 8.300 nan 0.000 0.477 418 K N 1.873 122.435 120.400 0.270 0.000 2.762 418 K HA 0.432 4.751 4.320 -0.001 0.000 0.180 418 K C 0.180 176.785 176.600 0.008 0.000 1.067 418 K CA 0.037 56.387 56.287 0.104 0.000 0.973 418 K CB 0.067 32.557 32.500 -0.017 0.000 1.290 418 K HN 0.722 nan 8.250 nan 0.000 0.604 419 L N 0.796 122.006 121.223 -0.021 0.000 2.201 419 L HA -0.010 4.329 4.340 -0.001 0.000 0.212 419 L C 0.038 176.709 176.870 -0.333 0.000 1.105 419 L CA 0.923 55.570 54.840 -0.320 0.000 0.775 419 L CB -0.008 41.810 42.059 -0.402 0.000 0.913 419 L HN 0.428 nan 8.230 nan 0.000 0.440 420 W N 0.205 121.582 121.300 0.129 0.000 2.376 420 W HA 0.343 5.002 4.660 -0.001 0.000 0.312 420 W C 0.165 176.799 176.519 0.191 0.000 1.060 420 W CA -0.569 56.856 57.345 0.134 0.000 1.221 420 W CB 0.478 29.896 29.460 -0.070 0.000 1.281 420 W HN -0.181 nan 8.180 nan 0.000 0.456 421 N N 3.195 122.205 118.700 0.518 0.000 2.407 421 N HA 0.138 4.878 4.740 -0.001 0.000 0.277 421 N C -0.302 175.544 175.510 0.559 0.000 0.995 421 N CA -0.480 52.815 53.050 0.408 0.000 0.903 421 N CB 0.869 39.497 38.487 0.235 0.000 1.218 421 N HN 0.412 nan 8.380 nan 0.000 0.487 422 F N 3.604 123.758 119.950 0.340 0.000 2.558 422 F HA 0.130 4.656 4.527 -0.001 0.000 0.298 422 F C 1.638 177.544 175.800 0.176 0.000 1.119 422 F CA 0.664 58.853 58.000 0.315 0.000 1.451 422 F CB 0.286 39.435 39.000 0.249 0.000 1.091 422 F HN 0.525 nan 8.300 nan 0.000 0.563 423 N N -0.318 118.502 118.700 0.201 0.000 2.251 423 N HA -0.108 4.631 4.740 -0.001 0.000 0.181 423 N C 0.454 175.976 175.510 0.021 0.000 1.019 423 N CA 0.738 53.839 53.050 0.085 0.000 0.862 423 N CB -0.390 38.164 38.487 0.110 0.000 0.992 423 N HN 0.108 nan 8.380 nan 0.000 0.429 424 N N 2.056 120.796 118.700 0.065 0.000 3.044 424 N HA 0.080 4.819 4.740 -0.001 0.000 0.254 424 N C -1.102 174.441 175.510 0.055 0.000 1.253 424 N CA -0.030 53.051 53.050 0.052 0.000 0.944 424 N CB 0.271 38.806 38.487 0.081 0.000 1.217 424 N HN 0.168 nan 8.380 nan 0.000 0.498 425 Q N 1.759 121.485 119.800 -0.123 0.000 2.288 425 Q HA 0.352 4.691 4.340 -0.001 0.000 0.254 425 Q C -0.039 175.888 176.000 -0.121 0.000 0.932 425 Q CA 0.016 55.554 55.803 -0.441 0.000 0.902 425 Q CB 1.829 30.041 28.738 -0.876 0.000 1.203 425 Q HN 0.475 nan 8.270 nan 0.000 0.415 426 I N 1.830 122.450 120.570 0.083 0.000 2.330 426 I HA 0.159 4.328 4.170 -0.001 0.000 0.289 426 I C 0.031 176.252 176.117 0.173 0.000 1.001 426 I CA -0.530 60.924 61.300 0.257 0.000 1.193 426 I CB 1.603 39.922 38.000 0.532 0.000 1.345 426 I HN 0.534 nan 8.210 nan 0.000 0.461 427 S N 3.647 119.202 115.700 -0.242 0.000 2.558 427 S HA -0.076 4.393 4.470 -0.001 0.000 0.287 427 S C 0.966 175.402 174.600 -0.273 0.000 1.321 427 S CA -0.271 57.558 58.200 -0.618 0.000 1.048 427 S CB 0.484 63.365 63.200 -0.531 0.000 0.844 427 S HN 0.825 nan 8.310 nan 0.000 0.512 428 D N 0.989 121.085 120.400 -0.507 0.000 2.264 428 D HA -0.163 4.476 4.640 -0.001 0.000 0.208 428 D C 0.965 177.180 176.300 -0.142 0.000 0.966 428 D CA 1.006 54.593 54.000 -0.689 0.000 0.864 428 D CB -0.210 40.159 40.800 -0.718 0.000 0.933 428 D HN 0.619 nan 8.370 nan 0.000 0.499 429 D N -0.727 119.608 120.400 -0.109 0.000 2.349 429 D HA -0.089 4.550 4.640 -0.001 0.000 0.224 429 D C -0.020 176.240 176.300 -0.067 0.000 1.029 429 D CA -0.025 53.935 54.000 -0.067 0.000 0.879 429 D CB -0.520 40.241 40.800 -0.065 0.000 0.906 429 D HN 0.114 nan 8.370 nan 0.000 0.528 430 N N 0.400 119.096 118.700 -0.008 0.000 2.841 430 N HA 0.241 4.980 4.740 -0.001 0.000 0.257 430 N C -2.224 173.235 175.510 -0.085 0.000 1.396 430 N CA -1.902 51.114 53.050 -0.057 0.000 0.823 430 N CB 1.591 40.070 38.487 -0.014 0.000 1.162 430 N HN -0.194 nan 8.380 nan 0.000 0.503 431 P HA 0.041 nan 4.420 nan 0.000 0.222 431 P C 1.016 178.127 177.300 -0.314 0.000 1.153 431 P CA 0.573 63.301 63.100 -0.620 0.000 0.798 431 P CB 0.363 31.643 31.700 -0.700 0.000 0.796 432 A N 0.393 122.975 122.820 -0.396 0.000 1.883 432 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 432 A C 2.426 180.046 177.584 0.060 0.000 1.186 432 A CA 1.709 53.721 52.037 -0.042 0.000 0.624 432 A CB -1.213 17.734 19.000 -0.090 0.000 0.822 432 A HN 0.048 nan 8.150 nan 0.000 0.444 433 R N -2.038 118.478 120.500 0.028 0.000 2.148 433 R HA -0.059 4.281 4.340 -0.001 0.000 0.223 433 R C 1.879 178.241 176.300 0.104 0.000 1.088 433 R CA 1.313 57.454 56.100 0.069 0.000 0.985 433 R CB -0.311 30.035 30.300 0.077 0.000 0.880 433 R HN 0.566 nan 8.270 nan 0.000 0.451 434 F N 0.572 120.494 119.950 -0.047 0.000 2.098 434 F HA -0.103 4.423 4.527 -0.001 0.000 0.294 434 F C 1.877 177.617 175.800 -0.099 0.000 1.107 434 F CA 1.177 59.137 58.000 -0.067 0.000 1.234 434 F CB -0.213 38.657 39.000 -0.216 0.000 1.002 434 F HN -0.049 nan 8.300 nan 0.000 0.472 435 L N 0.114 121.355 121.223 0.030 0.000 2.131 435 L HA -0.247 4.092 4.340 -0.001 0.000 0.210 435 L C 2.353 179.205 176.870 -0.029 0.000 1.092 435 L CA 1.578 56.406 54.840 -0.021 0.000 0.759 435 L CB -0.448 41.699 42.059 0.147 0.000 0.903 435 L HN 0.346 nan 8.230 nan 0.000 0.435 436 Q N -0.271 119.532 119.800 0.006 0.000 1.990 436 Q HA -0.210 4.129 4.340 -0.001 0.000 0.200 436 Q C 2.213 178.191 176.000 -0.036 0.000 0.980 436 Q CA 1.552 57.359 55.803 0.007 0.000 0.832 436 Q CB 0.119 28.871 28.738 0.023 0.000 0.897 436 Q HN 0.137 nan 8.270 nan 0.000 0.427 437 K N 0.037 120.389 120.400 -0.081 0.000 2.113 437 K HA -0.170 4.149 4.320 -0.001 0.000 0.208 437 K C 1.951 178.471 176.600 -0.134 0.000 1.047 437 K CA 1.282 57.515 56.287 -0.091 0.000 0.928 437 K CB -0.555 31.879 32.500 -0.110 0.000 0.716 437 K HN 0.325 nan 8.250 nan 0.000 0.446 438 A N 0.950 123.602 122.820 -0.280 0.000 1.933 438 A HA -0.112 4.208 4.320 -0.001 0.000 0.218 438 A C 1.887 179.442 177.584 -0.048 0.000 1.175 438 A CA 1.309 53.157 52.037 -0.314 0.000 0.628 438 A CB -0.224 18.496 19.000 -0.467 0.000 0.814 438 A HN 0.148 nan 8.150 nan 0.000 0.444 439 M N 0.956 120.601 119.600 0.074 0.000 2.581 439 M HA 0.116 4.596 4.480 -0.001 0.000 0.224 439 M C -0.537 175.903 176.300 0.234 0.000 1.171 439 M CA -0.315 55.125 55.300 0.233 0.000 0.993 439 M CB -1.274 31.422 32.600 0.161 0.000 1.685 439 M HN 0.215 nan 8.290 nan 0.000 0.479 440 D N -0.403 120.147 120.400 0.250 0.000 2.372 440 D HA -0.007 4.632 4.640 -0.001 0.000 0.243 440 D C 0.792 177.286 176.300 0.324 0.000 1.297 440 D CA 0.005 54.135 54.000 0.216 0.000 0.958 440 D CB 0.794 41.698 40.800 0.174 0.000 1.114 440 D HN 0.116 nan 8.370 nan 0.000 0.496 441 F N 0.830 120.810 119.950 0.050 0.000 2.374 441 F HA 0.138 4.665 4.527 -0.001 0.000 0.291 441 F C -1.281 174.471 175.800 -0.080 0.000 1.084 441 F CA -0.196 57.784 58.000 -0.034 0.000 1.413 441 F CB -1.056 37.906 39.000 -0.064 0.000 1.099 441 F HN 0.206 nan 8.300 nan 0.000 0.534 442 P HA -0.317 nan 4.420 nan 0.000 0.222 442 P C 1.648 178.850 177.300 -0.164 0.000 1.157 442 P CA 2.830 65.848 63.100 -0.137 0.000 0.905 442 P CB -0.617 31.122 31.700 0.066 0.000 0.792 443 F N -0.327 119.553 119.950 -0.117 0.000 2.118 443 F HA -0.022 4.504 4.527 -0.001 0.000 0.293 443 F C 1.622 177.391 175.800 -0.052 0.000 1.102 443 F CA 0.606 58.584 58.000 -0.036 0.000 1.247 443 F CB -1.790 37.256 39.000 0.076 0.000 1.017 443 F HN -0.227 nan 8.300 nan 0.000 0.475 444 I N 1.154 121.112 120.570 -1.019 0.000 3.686 444 I HA 0.090 4.259 4.170 -0.001 0.000 0.308 444 I C 2.048 177.952 176.117 -0.355 0.000 1.254 444 I CA -0.714 60.260 61.300 -0.543 0.000 1.175 444 I CB -1.808 35.820 38.000 -0.620 0.000 1.009 444 I HN 0.520 nan 8.210 nan 0.000 0.459 445 C N -0.383 118.513 119.300 -0.673 0.000 2.419 445 C HA -0.053 4.406 4.460 -0.001 0.000 0.281 445 C C 2.399 177.320 174.990 -0.115 0.000 1.336 445 C CA 0.783 59.304 59.018 -0.828 0.000 1.770 445 C CB -1.452 25.668 27.740 -1.032 0.000 1.929 445 C HN 0.595 nan 8.230 nan 0.000 0.509 446 N N 1.450 120.113 118.700 -0.063 0.000 2.309 446 N HA -0.031 4.708 4.740 -0.001 0.000 0.182 446 N C 1.763 177.320 175.510 0.078 0.000 1.018 446 N CA 1.560 54.620 53.050 0.015 0.000 0.876 446 N CB -0.274 38.199 38.487 -0.023 0.000 0.972 446 N HN 0.647 nan 8.380 nan 0.000 0.434 447 S N -0.855 114.944 115.700 0.165 0.000 2.593 447 S HA 0.178 4.648 4.470 -0.001 0.000 0.217 447 S C -0.083 174.677 174.600 0.266 0.000 0.966 447 S CA -0.071 58.233 58.200 0.173 0.000 0.914 447 S CB -0.001 63.350 63.200 0.252 0.000 0.776 447 S HN 0.187 nan 8.310 nan 0.000 0.523 448 F N 2.557 122.693 119.950 0.310 0.000 2.627 448 F HA 0.278 4.805 4.527 -0.001 0.000 0.329 448 F C 0.905 176.920 175.800 0.358 0.000 1.378 448 F CA -0.670 57.650 58.000 0.534 0.000 1.134 448 F CB 0.157 39.474 39.000 0.528 0.000 1.229 448 F HN -0.013 nan 8.300 nan 0.000 0.537 449 T N -4.038 110.734 114.554 0.363 0.000 2.927 449 T HA 0.313 4.663 4.350 -0.001 0.000 0.286 449 T C 1.340 176.014 174.700 -0.043 0.000 1.040 449 T CA -0.931 61.263 62.100 0.157 0.000 1.010 449 T CB 1.746 70.710 68.868 0.159 0.000 1.177 449 T HN 0.300 nan 8.240 nan 0.000 0.546 450 K N 0.090 120.194 120.400 -0.494 0.000 2.107 450 K HA -0.217 4.102 4.320 -0.001 0.000 0.211 450 K C 1.625 177.885 176.600 -0.566 0.000 1.049 450 K CA 1.837 57.474 56.287 -1.084 0.000 0.927 450 K CB -1.017 30.337 32.500 -1.911 0.000 0.714 450 K HN 0.501 nan 8.250 nan 0.000 0.452 451 F N 1.844 121.653 119.950 -0.234 0.000 2.192 451 F HA -0.162 4.364 4.527 -0.001 0.000 0.301 451 F C 2.204 177.928 175.800 -0.126 0.000 1.079 451 F CA 1.651 59.639 58.000 -0.020 0.000 1.303 451 F CB -0.173 38.806 39.000 -0.036 0.000 1.024 451 F HN 0.131 nan 8.300 nan 0.000 0.494 452 E N -1.528 118.639 120.200 -0.055 0.000 2.166 452 E HA 0.052 4.401 4.350 -0.001 0.000 0.192 452 E C 1.270 177.530 176.600 -0.568 0.000 0.967 452 E CA 0.711 56.903 56.400 -0.348 0.000 0.840 452 E CB -0.157 29.230 29.700 -0.521 0.000 0.795 452 E HN 0.338 nan 8.360 nan 0.000 0.470 453 F N 1.158 121.010 119.950 -0.163 0.000 2.661 453 F HA 0.182 4.709 4.527 -0.001 0.000 0.306 453 F C 0.673 176.384 175.800 -0.150 0.000 1.094 453 F CA -0.616 57.287 58.000 -0.162 0.000 1.254 453 F CB 0.088 39.010 39.000 -0.130 0.000 1.040 453 F HN -0.072 nan 8.300 nan 0.000 0.562 454 N N 0.344 118.985 118.700 -0.098 0.000 2.482 454 N HA 0.036 4.775 4.740 -0.001 0.000 0.260 454 N C 0.166 175.590 175.510 -0.144 0.000 1.236 454 N CA 0.475 53.466 53.050 -0.098 0.000 0.938 454 N CB 1.343 39.730 38.487 -0.167 0.000 1.128 454 N HN 0.023 nan 8.380 nan 0.000 0.448 455 T N -0.417 114.089 114.554 -0.080 0.000 3.170 455 T HA 0.132 4.482 4.350 -0.001 0.000 0.288 455 T C 1.543 176.207 174.700 -0.060 0.000 0.992 455 T CA -0.379 61.691 62.100 -0.051 0.000 0.909 455 T CB 0.048 68.966 68.868 0.083 0.000 1.133 455 T HN 0.315 nan 8.240 nan 0.000 0.530 456 V N 1.551 121.389 119.914 -0.128 0.000 2.270 456 V HA -0.066 4.053 4.120 -0.001 0.000 0.245 456 V C 1.914 178.007 176.094 -0.002 0.000 1.043 456 V CA 1.908 64.174 62.300 -0.057 0.000 1.014 456 V CB -0.593 31.221 31.823 -0.015 0.000 0.645 456 V HN 0.757 nan 8.190 nan 0.000 0.447 457 F N -1.145 118.847 119.950 0.070 0.000 2.752 457 F HA 0.436 4.963 4.527 -0.001 0.000 0.310 457 F C 0.613 176.467 175.800 0.090 0.000 1.097 457 F CA -1.192 56.845 58.000 0.062 0.000 1.238 457 F CB -0.882 38.158 39.000 0.066 0.000 1.061 457 F HN -0.036 nan 8.300 nan 0.000 0.591 458 N N 2.475 121.124 118.700 -0.085 0.000 2.499 458 N HA 0.068 4.808 4.740 -0.001 0.000 0.281 458 N C -0.760 174.754 175.510 0.007 0.000 1.098 458 N CA -0.547 52.517 53.050 0.024 0.000 0.979 458 N CB 0.580 39.011 38.487 -0.094 0.000 1.121 458 N HN 0.055 nan 8.380 nan 0.000 0.466 459 D N 1.425 121.847 120.400 0.036 0.000 2.368 459 D HA -0.074 4.566 4.640 -0.001 0.000 0.240 459 D C 1.129 177.426 176.300 -0.005 0.000 1.169 459 D CA 0.140 54.151 54.000 0.019 0.000 0.906 459 D CB 0.894 41.708 40.800 0.023 0.000 1.187 459 D HN 0.554 nan 8.370 nan 0.000 0.435 460 Q N 1.315 121.114 119.800 -0.000 0.000 2.112 460 Q HA -0.250 4.090 4.340 -0.001 0.000 0.206 460 Q C 2.114 178.172 176.000 0.097 0.000 0.987 460 Q CA 2.005 57.812 55.803 0.008 0.000 0.858 460 Q CB 0.097 28.861 28.738 0.044 0.000 0.905 460 Q HN 0.518 nan 8.270 nan 0.000 0.420 461 R N -1.577 118.974 120.500 0.084 0.000 2.092 461 R HA -0.053 4.287 4.340 -0.001 0.000 0.231 461 R C 1.982 178.350 176.300 0.114 0.000 1.119 461 R CA 1.729 57.890 56.100 0.102 0.000 0.970 461 R CB -0.828 29.468 30.300 -0.008 0.000 0.864 461 R HN 0.073 nan 8.270 nan 0.000 0.440 462 T N 1.224 115.797 114.554 0.032 0.000 2.777 462 T HA -0.047 4.302 4.350 -0.001 0.000 0.266 462 T C 1.996 176.679 174.700 -0.028 0.000 1.040 462 T CA 1.523 63.621 62.100 -0.004 0.000 1.141 462 T CB -0.133 68.728 68.868 -0.010 0.000 0.868 462 T HN 0.075 nan 8.240 nan 0.000 0.444 463 V N 0.834 120.696 119.914 -0.087 0.000 2.295 463 V HA -0.138 3.981 4.120 -0.001 0.000 0.246 463 V C 2.131 178.155 176.094 -0.115 0.000 1.049 463 V CA 1.645 63.808 62.300 -0.229 0.000 1.024 463 V CB -0.814 30.830 31.823 -0.299 0.000 0.648 463 V HN 0.374 nan 8.190 nan 0.000 0.447 464 F N 0.806 120.856 119.950 0.168 0.000 2.186 464 F HA -0.056 4.471 4.527 -0.001 0.000 0.299 464 F C 2.404 178.558 175.800 0.590 0.000 1.090 464 F CA 1.116 59.369 58.000 0.422 0.000 1.307 464 F CB -1.014 38.247 39.000 0.435 0.000 1.019 464 F HN 0.083 nan 8.300 nan 0.000 0.489 465 A N 0.038 123.168 122.820 0.517 0.000 1.898 465 A HA -0.173 4.146 4.320 -0.001 0.000 0.216 465 A C 2.226 179.993 177.584 0.304 0.000 1.181 465 A CA 1.656 53.914 52.037 0.369 0.000 0.620 465 A CB -0.796 18.237 19.000 0.055 0.000 0.819 465 A HN 0.335 nan 8.150 nan 0.000 0.442 466 N N -1.150 117.610 118.700 0.100 0.000 2.149 466 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 466 N C 1.519 176.988 175.510 -0.068 0.000 1.019 466 N CA 1.653 54.662 53.050 -0.069 0.000 0.857 466 N CB -0.377 37.900 38.487 -0.349 0.000 0.997 466 N HN 0.525 nan 8.380 nan 0.000 0.426 467 F N 1.011 120.883 119.950 -0.130 0.000 2.128 467 F HA -0.154 4.372 4.527 -0.001 0.000 0.295 467 F C 2.385 178.286 175.800 0.169 0.000 1.100 467 F CA 0.882 58.897 58.000 0.025 0.000 1.260 467 F CB -0.816 38.348 39.000 0.273 0.000 1.009 467 F HN -0.027 nan 8.300 nan 0.000 0.476 468 Y N 1.472 121.867 120.300 0.158 0.000 2.128 468 Y HA -0.261 4.288 4.550 -0.001 0.000 0.284 468 Y C 2.308 178.077 175.900 -0.219 0.000 1.154 468 Y CA 2.264 60.361 58.100 -0.005 0.000 1.149 468 Y CB -0.880 37.654 38.460 0.124 0.000 0.976 468 Y HN 0.080 nan 8.280 nan 0.000 0.505 469 D N -0.189 120.140 120.400 -0.117 0.000 2.144 469 D HA -0.164 4.475 4.640 -0.001 0.000 0.199 469 D C 2.235 178.313 176.300 -0.370 0.000 0.984 469 D CA 1.464 55.333 54.000 -0.218 0.000 0.834 469 D CB -0.492 40.477 40.800 0.281 0.000 0.955 469 D HN 0.482 nan 8.370 nan 0.000 0.465 470 A N 0.519 123.226 122.820 -0.189 0.000 1.968 470 A HA -0.102 4.218 4.320 -0.001 0.000 0.217 470 A C 2.100 179.485 177.584 -0.330 0.000 1.169 470 A CA 0.956 52.914 52.037 -0.132 0.000 0.638 470 A CB -0.245 18.740 19.000 -0.024 0.000 0.812 470 A HN 0.069 nan 8.150 nan 0.000 0.446 471 M N -0.236 119.038 119.600 -0.544 0.000 2.254 471 M HA 0.002 4.481 4.480 -0.001 0.000 0.265 471 M C 1.943 177.776 176.300 -0.779 0.000 1.066 471 M CA 0.866 55.762 55.300 -0.673 0.000 1.123 471 M CB -1.016 31.136 32.600 -0.746 0.000 1.388 471 M HN 0.303 nan 8.290 nan 0.000 0.425 472 I N -0.254 119.790 120.570 -0.877 0.000 2.226 472 I HA -0.317 3.853 4.170 -0.001 0.000 0.245 472 I C 2.471 178.197 176.117 -0.652 0.000 1.100 472 I CA 1.127 61.842 61.300 -0.975 0.000 1.374 472 I CB -1.132 36.048 38.000 -1.366 0.000 1.057 472 I HN 0.294 nan 8.210 nan 0.000 0.413 473 C N 0.249 119.248 119.300 -0.501 0.000 2.413 473 C HA -0.140 4.319 4.460 -0.001 0.000 0.277 473 C C 2.963 178.005 174.990 0.087 0.000 1.228 473 C CA 0.605 59.611 59.018 -0.021 0.000 1.731 473 C CB -1.005 26.764 27.740 0.050 0.000 2.042 473 C HN 0.334 nan 8.230 nan 0.000 0.468 474 V N 1.695 121.550 119.914 -0.097 0.000 2.231 474 V HA -0.291 3.829 4.120 -0.001 0.000 0.248 474 V C 2.769 178.732 176.094 -0.220 0.000 1.054 474 V CA 2.458 64.728 62.300 -0.050 0.000 1.015 474 V CB -1.491 30.209 31.823 -0.205 0.000 0.638 474 V HN 0.624 nan 8.190 nan 0.000 0.444 475 A N -1.466 120.932 122.820 -0.704 0.000 1.917 475 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 475 A C 2.110 179.540 177.584 -0.258 0.000 1.182 475 A CA 2.257 53.792 52.037 -0.838 0.000 0.633 475 A CB -0.902 17.421 19.000 -1.129 0.000 0.819 475 A HN 0.644 nan 8.150 nan 0.000 0.448 476 Y N -0.629 119.565 120.300 -0.176 0.000 2.293 476 Y HA -0.159 4.391 4.550 -0.001 0.000 0.291 476 Y C 2.539 178.448 175.900 0.016 0.000 1.137 476 Y CA 1.718 59.825 58.100 0.012 0.000 1.202 476 Y CB 0.052 38.596 38.460 0.139 0.000 0.990 476 Y HN 0.308 nan 8.280 nan 0.000 0.537 477 K N -0.361 119.978 120.400 -0.102 0.000 2.155 477 K HA -0.173 4.147 4.320 -0.001 0.000 0.203 477 K C 1.896 178.359 176.600 -0.227 0.000 1.052 477 K CA 0.880 56.731 56.287 -0.726 0.000 0.948 477 K CB -0.297 31.406 32.500 -1.329 0.000 0.728 477 K HN 0.205 nan 8.250 nan 0.000 0.448 478 F N 2.480 122.356 119.950 -0.125 0.000 2.095 478 F HA -0.249 4.277 4.527 -0.001 0.000 0.298 478 F C 1.908 177.734 175.800 0.043 0.000 1.104 478 F CA 2.264 60.274 58.000 0.017 0.000 1.232 478 F CB -0.496 38.640 39.000 0.227 0.000 0.987 478 F HN 0.187 nan 8.300 nan 0.000 0.475 479 D N -0.070 120.416 120.400 0.142 0.000 2.144 479 D HA -0.170 4.469 4.640 -0.001 0.000 0.199 479 D C 2.137 178.521 176.300 0.139 0.000 0.984 479 D CA 1.391 55.478 54.000 0.145 0.000 0.834 479 D CB -0.326 40.570 40.800 0.160 0.000 0.955 479 D HN 0.296 nan 8.370 nan 0.000 0.465 480 A N 0.281 123.165 122.820 0.107 0.000 1.930 480 A HA 0.110 4.429 4.320 -0.001 0.000 0.217 480 A C 2.352 179.979 177.584 0.073 0.000 1.175 480 A CA 1.977 54.084 52.037 0.117 0.000 0.627 480 A CB -0.908 18.184 19.000 0.153 0.000 0.815 480 A HN 0.329 nan 8.150 nan 0.000 0.443 481 A N -1.560 121.241 122.820 -0.032 0.000 1.970 481 A HA 0.052 4.372 4.320 -0.001 0.000 0.216 481 A C 2.066 179.698 177.584 0.079 0.000 1.170 481 A CA 1.810 53.855 52.037 0.015 0.000 0.645 481 A CB -0.390 18.511 19.000 -0.164 0.000 0.816 481 A HN 0.445 nan 8.150 nan 0.000 0.447 482 M N -0.953 118.625 119.600 -0.036 0.000 2.229 482 M HA -0.031 4.449 4.480 -0.001 0.000 0.264 482 M C 1.877 178.250 176.300 0.121 0.000 1.063 482 M CA 1.383 56.690 55.300 0.011 0.000 1.114 482 M CB -0.444 32.155 32.600 -0.003 0.000 1.387 482 M HN 0.277 nan 8.290 nan 0.000 0.420 483 M N -0.766 118.915 119.600 0.134 0.000 2.132 483 M HA -0.038 4.442 4.480 -0.001 0.000 0.263 483 M C 2.271 178.693 176.300 0.204 0.000 1.065 483 M CA 1.724 57.113 55.300 0.148 0.000 1.122 483 M CB -1.758 30.927 32.600 0.142 0.000 1.365 483 M HN 0.377 nan 8.290 nan 0.000 0.411 484 A N 0.257 123.229 122.820 0.253 0.000 1.933 484 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 484 A C 2.297 180.099 177.584 0.363 0.000 1.175 484 A CA 1.233 53.485 52.037 0.357 0.000 0.628 484 A CB -0.927 18.303 19.000 0.384 0.000 0.814 484 A HN 0.469 nan 8.150 nan 0.000 0.444 485 L N -0.456 120.929 121.223 0.270 0.000 2.083 485 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 485 L C 2.663 179.728 176.870 0.325 0.000 1.083 485 L CA 1.805 56.793 54.840 0.246 0.000 0.752 485 L CB -0.381 41.777 42.059 0.165 0.000 0.899 485 L HN 0.599 nan 8.230 nan 0.000 0.433 486 R N -1.084 119.608 120.500 0.319 0.000 2.317 486 R HA 0.040 4.379 4.340 -0.001 0.000 0.208 486 R C 1.508 177.933 176.300 0.207 0.000 0.914 486 R CA 0.982 57.262 56.100 0.300 0.000 1.060 486 R CB -0.275 30.216 30.300 0.318 0.000 1.015 486 R HN 0.302 nan 8.270 nan 0.000 0.498 487 T N -3.679 111.004 114.554 0.215 0.000 3.056 487 T HA 0.121 4.471 4.350 -0.001 0.000 0.243 487 T C 1.882 176.676 174.700 0.157 0.000 0.995 487 T CA 0.541 62.739 62.100 0.162 0.000 1.091 487 T CB 0.340 69.298 68.868 0.149 0.000 0.990 487 T HN 0.111 nan 8.240 nan 0.000 0.464 488 S N -0.239 115.604 115.700 0.238 0.000 2.517 488 S HA 0.313 4.783 4.470 -0.001 0.000 0.228 488 S C 1.389 176.057 174.600 0.112 0.000 1.060 488 S CA -0.200 58.121 58.200 0.202 0.000 0.937 488 S CB -0.482 62.915 63.200 0.329 0.000 0.840 488 S HN 0.381 nan 8.310 nan 0.000 0.546 489 F N 1.833 121.847 119.950 0.106 0.000 2.293 489 F HA 0.300 4.827 4.527 -0.001 0.000 0.300 489 F C 0.767 176.528 175.800 -0.066 0.000 1.086 489 F CA 0.550 58.496 58.000 -0.089 0.000 1.375 489 F CB -0.334 38.589 39.000 -0.129 0.000 1.045 489 F HN 0.088 nan 8.300 nan 0.000 0.516 490 L N 0.044 121.372 121.223 0.175 0.000 3.601 490 L HA -0.222 4.117 4.340 -0.001 0.000 0.469 490 L C -0.529 176.374 176.870 0.056 0.000 1.294 490 L CA -0.580 54.324 54.840 0.108 0.000 0.829 490 L CB -2.213 39.883 42.059 0.062 0.000 1.628 490 L HN -0.238 nan 8.230 nan 0.000 0.868 491 V N 0.820 120.750 119.914 0.026 0.000 2.572 491 V HA 0.067 4.186 4.120 -0.001 0.000 0.291 491 V C 1.390 177.318 176.094 -0.277 0.000 1.039 491 V CA 0.421 62.580 62.300 -0.236 0.000 1.055 491 V CB 1.271 32.774 31.823 -0.533 0.000 0.969 491 V HN 0.477 nan 8.190 nan 0.000 0.482 492 N N 1.989 120.548 118.700 -0.236 0.000 2.564 492 N HA 0.023 4.762 4.740 -0.001 0.000 0.202 492 N C 0.575 176.042 175.510 -0.073 0.000 1.052 492 N CA 0.095 53.106 53.050 -0.064 0.000 0.872 492 N CB 0.310 38.798 38.487 0.002 0.000 1.303 492 N HN 0.698 nan 8.380 nan 0.000 0.440 493 D N 0.828 121.142 120.400 -0.144 0.000 2.441 493 D HA 0.090 4.730 4.640 -0.001 0.000 0.221 493 D C -0.968 175.308 176.300 -0.040 0.000 1.156 493 D CA -0.360 53.623 54.000 -0.029 0.000 0.896 493 D CB -0.124 40.678 40.800 0.004 0.000 1.028 493 D HN -0.063 nan 8.370 nan 0.000 0.509 494 F N 2.318 122.349 119.950 0.134 0.000 2.499 494 F HA 0.333 4.860 4.527 -0.001 0.000 0.353 494 F C 1.448 177.277 175.800 0.048 0.000 1.196 494 F CA -0.400 57.653 58.000 0.089 0.000 1.244 494 F CB 1.550 40.556 39.000 0.011 0.000 1.577 494 F HN 0.452 nan 8.300 nan 0.000 0.614 495 G N 1.196 110.137 108.800 0.235 0.000 2.659 495 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.197 495 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.197 495 G C 1.153 176.173 174.900 0.200 0.000 1.099 495 G CA -0.009 45.201 45.100 0.183 0.000 0.759 495 G HN 0.484 nan 8.290 nan 0.000 0.715 496 F N 1.369 121.396 119.950 0.129 0.000 2.451 496 F HA 0.228 4.754 4.527 -0.001 0.000 0.299 496 F C 1.846 177.760 175.800 0.190 0.000 1.101 496 F CA -0.194 57.882 58.000 0.127 0.000 1.436 496 F CB -0.569 38.465 39.000 0.057 0.000 1.074 496 F HN 0.013 nan 8.300 nan 0.000 0.553 497 I N 0.375 120.661 120.570 -0.474 0.000 2.194 497 I HA -0.320 3.850 4.170 -0.001 0.000 0.246 497 I C 2.619 178.845 176.117 0.181 0.000 1.093 497 I CA 1.615 62.809 61.300 -0.176 0.000 1.355 497 I CB -0.984 37.008 38.000 -0.012 0.000 1.046 497 I HN 0.465 nan 8.210 nan 0.000 0.413 498 W N 0.409 121.709 121.300 -0.001 0.000 2.342 498 W HA -0.240 4.419 4.660 -0.001 0.000 0.297 498 W C 2.403 178.948 176.519 0.044 0.000 1.213 498 W CA 1.039 58.407 57.345 0.038 0.000 1.251 498 W CB -0.105 29.379 29.460 0.040 0.000 1.136 498 W HN 0.160 nan 8.180 nan 0.000 0.526 499 L N -0.153 121.156 121.223 0.144 0.000 2.056 499 L HA -0.242 4.097 4.340 -0.001 0.000 0.207 499 L C 2.228 179.079 176.870 -0.032 0.000 1.078 499 L CA 1.175 56.040 54.840 0.041 0.000 0.749 499 L CB -0.673 41.460 42.059 0.123 0.000 0.901 499 L HN -0.235 nan 8.230 nan 0.000 0.433 500 V N -0.760 119.168 119.914 0.024 0.000 2.302 500 V HA -0.250 3.869 4.120 -0.001 0.000 0.243 500 V C 2.237 178.252 176.094 -0.133 0.000 1.036 500 V CA 1.411 63.714 62.300 0.005 0.000 1.020 500 V CB -0.547 31.353 31.823 0.129 0.000 0.657 500 V HN 0.362 nan 8.190 nan 0.000 0.453 501 L N 0.627 121.739 121.223 -0.185 0.000 2.012 501 L HA -0.142 4.197 4.340 -0.001 0.000 0.210 501 L C 2.478 178.946 176.870 -0.669 0.000 1.073 501 L CA 2.271 56.774 54.840 -0.562 0.000 0.748 501 L CB -0.874 40.849 42.059 -0.560 0.000 0.891 501 L HN 0.291 nan 8.230 nan 0.000 0.431 502 S N -0.792 114.567 115.700 -0.567 0.000 2.368 502 S HA -0.157 4.313 4.470 -0.001 0.000 0.225 502 S C 1.963 176.344 174.600 -0.364 0.000 1.030 502 S CA 1.424 59.319 58.200 -0.509 0.000 0.999 502 S CB -0.389 62.436 63.200 -0.625 0.000 0.844 502 S HN 0.577 nan 8.310 nan 0.000 0.459 503 S N 1.170 116.693 115.700 -0.294 0.000 2.383 503 S HA -0.073 4.396 4.470 -0.001 0.000 0.227 503 S C 2.108 176.542 174.600 -0.277 0.000 1.026 503 S CA 1.307 59.373 58.200 -0.223 0.000 0.981 503 S CB -0.570 62.535 63.200 -0.158 0.000 0.818 503 S HN 0.576 nan 8.310 nan 0.000 0.472 504 T N 2.181 116.531 114.554 -0.339 0.000 2.708 504 T HA -0.066 4.283 4.350 -0.001 0.000 0.266 504 T C 1.966 176.461 174.700 -0.340 0.000 1.037 504 T CA 1.270 63.144 62.100 -0.376 0.000 1.146 504 T CB -0.481 68.202 68.868 -0.308 0.000 0.865 504 T HN 0.175 nan 8.240 nan 0.000 0.435 505 V N 1.572 121.199 119.914 -0.477 0.000 2.255 505 V HA -0.213 3.907 4.120 -0.001 0.000 0.247 505 V C 2.687 178.662 176.094 -0.197 0.000 1.051 505 V CA 1.739 63.753 62.300 -0.476 0.000 1.018 505 V CB -0.556 30.540 31.823 -1.212 0.000 0.641 505 V HN 0.388 nan 8.190 nan 0.000 0.445 506 R N -0.061 120.336 120.500 -0.171 0.000 2.073 506 R HA -0.145 4.194 4.340 -0.001 0.000 0.234 506 R C 2.455 178.760 176.300 0.009 0.000 1.134 506 R CA 1.511 57.612 56.100 0.002 0.000 0.952 506 R CB -0.708 29.596 30.300 0.006 0.000 0.850 506 R HN 0.547 nan 8.270 nan 0.000 0.433 507 A N 0.493 123.239 122.820 -0.123 0.000 1.908 507 A HA -0.200 4.120 4.320 -0.001 0.000 0.218 507 A C 1.958 179.455 177.584 -0.145 0.000 1.181 507 A CA 1.284 53.208 52.037 -0.187 0.000 0.627 507 A CB -0.804 17.984 19.000 -0.353 0.000 0.818 507 A HN 0.396 nan 8.150 nan 0.000 0.445 508 Y N -0.622 119.649 120.300 -0.048 0.000 2.220 508 Y HA -0.063 4.486 4.550 -0.001 0.000 0.291 508 Y C 2.953 178.954 175.900 0.169 0.000 1.129 508 Y CA 0.433 58.554 58.100 0.036 0.000 1.161 508 Y CB -0.166 38.369 38.460 0.125 0.000 0.997 508 Y HN 0.371 nan 8.280 nan 0.000 0.522 509 A N -0.786 122.184 122.820 0.250 0.000 1.978 509 A HA -0.258 4.061 4.320 -0.001 0.000 0.220 509 A C 2.347 179.668 177.584 -0.439 0.000 1.170 509 A CA 2.040 54.000 52.037 -0.129 0.000 0.636 509 A CB -0.966 17.875 19.000 -0.265 0.000 0.810 509 A HN 0.413 nan 8.150 nan 0.000 0.448 510 S N -0.974 114.588 115.700 -0.229 0.000 2.371 510 S HA -0.134 4.335 4.470 -0.001 0.000 0.224 510 S C 2.225 176.799 174.600 -0.043 0.000 1.029 510 S CA 0.947 59.111 58.200 -0.059 0.000 0.978 510 S CB -0.371 62.915 63.200 0.143 0.000 0.833 510 S HN 0.564 nan 8.310 nan 0.000 0.466 511 R N 0.846 121.300 120.500 -0.077 0.000 2.091 511 R HA -0.064 4.275 4.340 -0.001 0.000 0.238 511 R C 2.555 178.771 176.300 -0.139 0.000 1.136 511 R CA 1.370 57.373 56.100 -0.162 0.000 0.959 511 R CB -1.061 29.051 30.300 -0.312 0.000 0.856 511 R HN 0.548 nan 8.270 nan 0.000 0.437 512 A N 0.899 123.651 122.820 -0.113 0.000 1.841 512 A HA -0.219 4.101 4.320 -0.001 0.000 0.216 512 A C 2.039 179.402 177.584 -0.368 0.000 1.199 512 A CA 1.396 53.115 52.037 -0.529 0.000 0.621 512 A CB -1.010 17.559 19.000 -0.719 0.000 0.835 512 A HN 0.318 nan 8.150 nan 0.000 0.445 513 F N 0.827 120.555 119.950 -0.369 0.000 2.032 513 F HA -0.335 4.191 4.527 -0.001 0.000 0.297 513 F C 2.386 178.104 175.800 -0.136 0.000 1.125 513 F CA 2.689 60.556 58.000 -0.221 0.000 1.202 513 F CB -0.233 38.659 39.000 -0.180 0.000 0.958 513 F HN 0.180 nan 8.300 nan 0.000 0.491 514 K N -0.442 120.055 120.400 0.162 0.000 2.074 514 K HA -0.256 4.064 4.320 -0.001 0.000 0.209 514 K C 2.033 178.608 176.600 -0.041 0.000 1.048 514 K CA 1.953 58.282 56.287 0.070 0.000 0.926 514 K CB -0.263 32.261 32.500 0.041 0.000 0.713 514 K HN 0.118 nan 8.250 nan 0.000 0.444 515 K N 1.022 121.366 120.400 -0.095 0.000 2.062 515 K HA 0.020 4.339 4.320 -0.001 0.000 0.205 515 K C 1.812 178.439 176.600 0.046 0.000 1.051 515 K CA 0.964 57.238 56.287 -0.022 0.000 0.941 515 K CB -0.083 32.302 32.500 -0.191 0.000 0.719 515 K HN 0.090 nan 8.250 nan 0.000 0.440 516 I N -0.085 120.433 120.570 -0.087 0.000 2.361 516 I HA -0.258 3.911 4.170 -0.001 0.000 0.251 516 I C 1.828 177.856 176.117 -0.147 0.000 1.133 516 I CA 0.811 62.082 61.300 -0.049 0.000 1.413 516 I CB -0.157 37.763 38.000 -0.134 0.000 1.073 516 I HN -0.073 nan 8.210 nan 0.000 0.424 517 V N 0.378 120.148 119.914 -0.240 0.000 2.346 517 V HA -0.210 3.909 4.120 -0.001 0.000 0.244 517 V C 2.465 178.425 176.094 -0.223 0.000 1.037 517 V CA 2.265 64.391 62.300 -0.290 0.000 1.029 517 V CB -0.686 30.973 31.823 -0.273 0.000 0.663 517 V HN 0.421 nan 8.190 nan 0.000 0.454 518 T N -0.580 113.859 114.554 -0.193 0.000 2.822 518 T HA -0.192 4.157 4.350 -0.001 0.000 0.270 518 T C 0.758 175.105 174.700 -0.588 0.000 1.064 518 T CA 1.615 63.489 62.100 -0.378 0.000 1.131 518 T CB -0.328 68.285 68.868 -0.425 0.000 0.858 518 T HN 0.563 nan 8.240 nan 0.000 0.483 519 Y N 1.060 121.297 120.300 -0.104 0.000 2.617 519 Y HA 0.420 4.969 4.550 -0.001 0.000 0.328 519 Y C 0.477 176.319 175.900 -0.098 0.000 0.946 519 Y CA -1.032 57.020 58.100 -0.080 0.000 1.241 519 Y CB 0.039 38.443 38.460 -0.093 0.000 1.226 519 Y HN -0.081 nan 8.280 nan 0.000 0.582 520 K N 0.614 120.963 120.400 -0.086 0.000 2.219 520 K HA 0.555 4.874 4.320 -0.001 0.000 0.258 520 K C 0.578 177.139 176.600 -0.065 0.000 1.008 520 K CA 0.110 56.298 56.287 -0.165 0.000 0.928 520 K CB 0.649 32.912 32.500 -0.396 0.000 0.983 520 K HN 0.546 nan 8.250 nan 0.000 0.484 521 G N -0.904 107.883 108.800 -0.021 0.000 2.721 521 G HA2 0.354 4.313 3.960 -0.001 0.000 0.296 521 G HA3 0.354 4.313 3.960 -0.001 0.000 0.296 521 G C 0.377 175.313 174.900 0.060 0.000 1.383 521 G CA -0.421 44.690 45.100 0.018 0.000 0.788 521 G HN 0.595 nan 8.290 nan 0.000 0.500 522 G N -0.631 108.198 108.800 0.048 0.000 2.625 522 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.214 522 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.214 522 G C 1.118 176.058 174.900 0.068 0.000 1.132 522 G CA 0.724 45.857 45.100 0.055 0.000 0.782 522 G HN 0.476 nan 8.290 nan 0.000 0.538 523 K N -0.555 119.889 120.400 0.072 0.000 2.374 523 K HA 0.110 4.430 4.320 -0.001 0.000 0.196 523 K C 0.033 176.680 176.600 0.077 0.000 1.023 523 K CA -0.654 55.669 56.287 0.060 0.000 1.103 523 K CB 0.331 32.857 32.500 0.042 0.000 0.848 523 K HN 0.379 nan 8.250 nan 0.000 0.528 524 Y N 1.905 122.194 120.300 -0.018 0.000 2.480 524 Y HA -0.080 4.469 4.550 -0.001 0.000 0.338 524 Y C 1.210 177.112 175.900 0.004 0.000 1.220 524 Y CA 0.485 58.571 58.100 -0.023 0.000 1.430 524 Y CB 0.554 38.989 38.460 -0.041 0.000 1.311 524 Y HN -0.146 nan 8.280 nan 0.000 0.575 525 R N 2.571 122.642 120.500 -0.714 0.000 2.502 525 R HA 0.273 4.612 4.340 -0.001 0.000 0.174 525 R C -0.675 175.212 176.300 -0.687 0.000 1.201 525 R CA -0.022 55.811 56.100 -0.446 0.000 1.151 525 R CB 0.224 30.404 30.300 -0.199 0.000 1.202 525 R HN 0.627 nan 8.270 nan 0.000 0.509 526 K N 1.179 121.065 120.400 -0.858 0.000 2.545 526 K HA 0.079 4.398 4.320 -0.001 0.000 0.287 526 K C -1.477 174.979 176.600 -0.241 0.000 1.074 526 K CA -0.145 55.829 56.287 -0.522 0.000 1.048 526 K CB 1.377 33.736 32.500 -0.236 0.000 1.384 526 K HN 0.035 nan 8.250 nan 0.000 0.440 527 V N 1.223 121.095 119.914 -0.070 0.000 2.259 527 V HA 0.356 4.476 4.120 -0.001 0.000 0.267 527 V C 0.260 176.477 176.094 0.204 0.000 1.051 527 V CA -0.504 61.870 62.300 0.123 0.000 0.830 527 V CB 0.688 32.497 31.823 -0.024 0.000 1.080 527 V HN 0.727 nan 8.190 nan 0.000 0.467 528 T N 3.196 117.860 114.554 0.183 0.000 2.928 528 T HA 0.149 4.499 4.350 -0.001 0.000 0.305 528 T C 0.685 175.598 174.700 0.354 0.000 1.035 528 T CA 0.326 62.568 62.100 0.235 0.000 1.145 528 T CB 0.128 69.050 68.868 0.089 0.000 0.963 528 T HN 0.586 nan 8.240 nan 0.000 0.545 529 F N 3.342 123.452 119.950 0.267 0.000 2.091 529 F HA -0.154 4.372 4.527 -0.001 0.000 0.299 529 F C 2.540 178.396 175.800 0.093 0.000 1.103 529 F CA 2.048 60.126 58.000 0.129 0.000 1.228 529 F CB -0.153 38.736 39.000 -0.186 0.000 0.984 529 F HN 0.636 nan 8.300 nan 0.000 0.477 530 Q N -0.392 119.621 119.800 0.354 0.000 2.234 530 Q HA -0.224 4.115 4.340 -0.001 0.000 0.206 530 Q C 2.332 178.406 176.000 0.124 0.000 0.980 530 Q CA 1.700 57.645 55.803 0.236 0.000 0.869 530 Q CB -0.837 27.991 28.738 0.150 0.000 0.912 530 Q HN 0.611 nan 8.270 nan 0.000 0.436 531 C N -0.985 118.359 119.300 0.074 0.000 2.473 531 C HA -0.070 4.389 4.460 -0.001 0.000 0.279 531 C C 2.370 177.372 174.990 0.021 0.000 1.250 531 C CA 0.702 59.676 59.018 -0.073 0.000 1.713 531 C CB -1.127 26.526 27.740 -0.143 0.000 2.066 531 C HN 0.632 nan 8.230 nan 0.000 0.474 532 L N 0.973 122.276 121.223 0.132 0.000 2.021 532 L HA -0.258 4.081 4.340 -0.001 0.000 0.215 532 L C 2.760 179.762 176.870 0.220 0.000 1.074 532 L CA 2.219 57.120 54.840 0.101 0.000 0.760 532 L CB -0.766 41.145 42.059 -0.247 0.000 0.889 532 L HN 0.388 nan 8.230 nan 0.000 0.433 533 K N -0.529 119.938 120.400 0.111 0.000 2.074 533 K HA -0.182 4.138 4.320 -0.001 0.000 0.209 533 K C 2.310 179.078 176.600 0.281 0.000 1.048 533 K CA 1.812 58.213 56.287 0.189 0.000 0.926 533 K CB -0.141 32.502 32.500 0.238 0.000 0.713 533 K HN 0.208 nan 8.250 nan 0.000 0.444 534 S N 0.872 116.715 115.700 0.239 0.000 2.356 534 S HA -0.130 4.339 4.470 -0.001 0.000 0.223 534 S C 1.904 176.668 174.600 0.273 0.000 1.032 534 S CA 1.140 59.482 58.200 0.237 0.000 1.005 534 S CB -0.199 63.023 63.200 0.037 0.000 0.867 534 S HN 0.133 nan 8.310 nan 0.000 0.449 535 I N 2.264 122.994 120.570 0.267 0.000 2.151 535 I HA -0.244 3.925 4.170 -0.001 0.000 0.243 535 I C 2.556 178.935 176.117 0.437 0.000 1.080 535 I CA 1.321 62.879 61.300 0.430 0.000 1.339 535 I CB -0.797 37.596 38.000 0.654 0.000 1.039 535 I HN 0.241 nan 8.210 nan 0.000 0.409 536 A N -0.521 122.523 122.820 0.374 0.000 1.892 536 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 536 A C 2.242 179.933 177.584 0.179 0.000 1.188 536 A CA 2.053 54.170 52.037 0.134 0.000 0.631 536 A CB -1.490 17.586 19.000 0.127 0.000 0.822 536 A HN 0.598 nan 8.150 nan 0.000 0.447 537 W N -0.539 120.906 121.300 0.242 0.000 2.388 537 W HA -0.105 4.554 4.660 -0.001 0.000 0.294 537 W C 2.630 179.261 176.519 0.186 0.000 1.212 537 W CA 0.770 58.229 57.345 0.190 0.000 1.271 537 W CB -0.041 29.483 29.460 0.106 0.000 1.126 537 W HN 0.190 nan 8.180 nan 0.000 0.535 538 R N 0.159 120.921 120.500 0.438 0.000 2.096 538 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 538 R C 2.095 178.616 176.300 0.368 0.000 1.127 538 R CA 1.493 57.814 56.100 0.368 0.000 0.968 538 R CB -1.339 29.175 30.300 0.356 0.000 0.861 538 R HN 0.249 nan 8.270 nan 0.000 0.440 539 A N 0.519 123.502 122.820 0.271 0.000 1.855 539 A HA -0.114 4.206 4.320 -0.001 0.000 0.215 539 A C 2.097 179.520 177.584 -0.268 0.000 1.191 539 A CA 1.035 52.944 52.037 -0.213 0.000 0.613 539 A CB -0.799 17.878 19.000 -0.538 0.000 0.829 539 A HN 0.198 nan 8.150 nan 0.000 0.442 540 F N 0.152 120.015 119.950 -0.145 0.000 2.154 540 F HA -0.195 4.332 4.527 -0.001 0.000 0.301 540 F C 2.168 177.910 175.800 -0.097 0.000 1.087 540 F CA 1.511 59.416 58.000 -0.159 0.000 1.274 540 F CB -0.346 38.577 39.000 -0.128 0.000 1.009 540 F HN 0.113 nan 8.300 nan 0.000 0.485 541 L N -0.781 120.559 121.223 0.195 0.000 2.046 541 L HA -0.237 4.103 4.340 -0.001 0.000 0.208 541 L C 2.726 179.605 176.870 0.015 0.000 1.077 541 L CA 1.083 55.993 54.840 0.116 0.000 0.747 541 L CB -0.968 41.179 42.059 0.146 0.000 0.896 541 L HN 0.152 nan 8.230 nan 0.000 0.432 542 A N -0.358 122.447 122.820 -0.026 0.000 1.883 542 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 542 A C 2.292 179.760 177.584 -0.192 0.000 1.186 542 A CA 1.977 53.961 52.037 -0.088 0.000 0.624 542 A CB -0.870 18.069 19.000 -0.101 0.000 0.822 542 A HN 0.198 nan 8.150 nan 0.000 0.444 543 V N -0.511 119.194 119.914 -0.348 0.000 2.515 543 V HA -0.174 3.946 4.120 -0.001 0.000 0.250 543 V C 2.441 178.375 176.094 -0.268 0.000 1.058 543 V CA 1.587 63.589 62.300 -0.497 0.000 1.064 543 V CB -0.664 30.666 31.823 -0.822 0.000 0.675 543 V HN 0.451 nan 8.190 nan 0.000 0.461 544 L N -0.190 120.921 121.223 -0.188 0.000 2.141 544 L HA -0.074 4.265 4.340 -0.001 0.000 0.209 544 L C 2.269 179.145 176.870 0.010 0.000 1.094 544 L CA 1.667 56.414 54.840 -0.155 0.000 0.763 544 L CB -0.838 41.147 42.059 -0.123 0.000 0.908 544 L HN 0.238 nan 8.230 nan 0.000 0.437 545 K N -0.680 119.722 120.400 0.005 0.000 2.442 545 K HA -0.119 4.201 4.320 -0.001 0.000 0.198 545 K C 1.949 178.580 176.600 0.052 0.000 1.044 545 K CA 0.628 56.938 56.287 0.038 0.000 0.948 545 K CB -0.032 32.480 32.500 0.020 0.000 0.762 545 K HN 0.339 nan 8.250 nan 0.000 0.472 546 R N 0.158 120.686 120.500 0.048 0.000 2.235 546 R HA -0.006 4.333 4.340 -0.001 0.000 0.213 546 R C 0.650 177.020 176.300 0.116 0.000 1.059 546 R CA 0.698 56.843 56.100 0.075 0.000 0.997 546 R CB 0.124 30.473 30.300 0.082 0.000 0.884 546 R HN 0.019 nan 8.270 nan 0.000 0.462 547 R N 0.619 121.224 120.500 0.176 0.000 2.782 547 R HA 0.084 4.423 4.340 -0.001 0.000 0.293 547 R C 0.763 177.166 176.300 0.173 0.000 1.333 547 R CA -0.011 56.200 56.100 0.185 0.000 1.479 547 R CB 0.979 31.440 30.300 0.269 0.000 1.306 547 R HN 0.163 nan 8.270 nan 0.000 0.654 548 T N -1.513 113.106 114.554 0.109 0.000 2.803 548 T HA -0.209 4.140 4.350 -0.001 0.000 0.269 548 T C 1.633 176.359 174.700 0.043 0.000 1.052 548 T CA 1.456 63.606 62.100 0.083 0.000 1.136 548 T CB 0.069 68.968 68.868 0.051 0.000 0.864 548 T HN 0.404 nan 8.240 nan 0.000 0.467 549 E N 1.106 121.315 120.200 0.015 0.000 2.274 549 E HA -0.010 4.339 4.350 -0.001 0.000 0.194 549 E C 1.821 178.375 176.600 -0.078 0.000 0.996 549 E CA 0.624 57.010 56.400 -0.023 0.000 0.840 549 E CB -0.399 29.289 29.700 -0.020 0.000 0.772 549 E HN 0.555 nan 8.360 nan 0.000 0.491 550 I N -0.481 120.013 120.570 -0.125 0.000 2.729 550 I HA -0.080 4.089 4.170 -0.001 0.000 0.256 550 I C 1.387 177.266 176.117 -0.398 0.000 1.115 550 I CA 0.639 61.742 61.300 -0.328 0.000 1.446 550 I CB -0.086 37.611 38.000 -0.505 0.000 1.176 550 I HN -0.077 nan 8.210 nan 0.000 0.446 551 Y N 0.418 120.694 120.300 -0.041 0.000 2.493 551 Y HA 0.096 4.645 4.550 -0.001 0.000 0.275 551 Y C 2.027 177.916 175.900 -0.018 0.000 1.183 551 Y CA -0.274 57.812 58.100 -0.023 0.000 1.258 551 Y CB -0.150 38.328 38.460 0.030 0.000 1.108 551 Y HN -0.018 nan 8.280 nan 0.000 0.521 552 K N 1.334 121.771 120.400 0.062 0.000 2.071 552 K HA -0.230 4.089 4.320 -0.001 0.000 0.217 552 K C 2.219 178.827 176.600 0.014 0.000 1.054 552 K CA 2.253 58.558 56.287 0.030 0.000 0.937 552 K CB -0.983 31.513 32.500 -0.007 0.000 0.719 552 K HN 0.371 nan 8.250 nan 0.000 0.454 553 G N 0.396 109.190 108.800 -0.009 0.000 2.421 553 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.216 553 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.216 553 G C 1.474 176.349 174.900 -0.041 0.000 1.171 553 G CA 0.937 46.013 45.100 -0.039 0.000 0.775 553 G HN 0.332 nan 8.290 nan 0.000 0.543 554 L N 0.775 122.022 121.223 0.040 0.000 2.083 554 L HA 0.086 4.426 4.340 -0.001 0.000 0.209 554 L C 2.705 179.617 176.870 0.070 0.000 1.083 554 L CA 1.237 56.129 54.840 0.086 0.000 0.752 554 L CB -0.392 41.823 42.059 0.260 0.000 0.899 554 L HN 0.291 nan 8.230 nan 0.000 0.433 555 I N -0.549 120.071 120.570 0.083 0.000 2.179 555 I HA -0.296 3.874 4.170 -0.001 0.000 0.242 555 I C 2.005 178.117 176.117 -0.008 0.000 1.088 555 I CA 1.437 62.772 61.300 0.058 0.000 1.357 555 I CB -0.601 37.439 38.000 0.067 0.000 1.051 555 I HN 0.221 nan 8.210 nan 0.000 0.409 556 D N 0.519 120.898 120.400 -0.035 0.000 2.123 556 D HA -0.193 4.446 4.640 -0.001 0.000 0.196 556 D C 2.236 178.461 176.300 -0.124 0.000 0.992 556 D CA 1.067 55.025 54.000 -0.070 0.000 0.833 556 D CB -0.312 40.446 40.800 -0.071 0.000 0.954 556 D HN 0.182 nan 8.370 nan 0.000 0.455 557 R N 0.077 120.462 120.500 -0.192 0.000 2.096 557 R HA -0.064 4.275 4.340 -0.001 0.000 0.235 557 R C 2.251 178.411 176.300 -0.234 0.000 1.127 557 R CA 0.807 56.703 56.100 -0.340 0.000 0.968 557 R CB -0.182 29.697 30.300 -0.702 0.000 0.861 557 R HN 0.231 nan 8.270 nan 0.000 0.440 558 I N 0.464 120.947 120.570 -0.145 0.000 2.286 558 I HA -0.239 3.930 4.170 -0.001 0.000 0.245 558 I C 1.970 177.952 176.117 -0.224 0.000 1.104 558 I CA 1.319 62.471 61.300 -0.247 0.000 1.397 558 I CB -0.142 37.757 38.000 -0.168 0.000 1.072 558 I HN 0.064 nan 8.210 nan 0.000 0.417 559 K N 0.502 120.828 120.400 -0.123 0.000 2.283 559 K HA -0.085 4.234 4.320 -0.001 0.000 0.202 559 K C 2.154 178.698 176.600 -0.093 0.000 1.048 559 K CA 1.624 57.858 56.287 -0.088 0.000 0.948 559 K CB -0.051 32.419 32.500 -0.049 0.000 0.742 559 K HN 0.429 nan 8.250 nan 0.000 0.458 560 S N 0.000 115.635 115.700 -0.108 0.000 2.545 560 S HA 0.089 4.559 4.470 -0.001 0.000 0.232 560 S C 1.752 176.298 174.600 -0.090 0.000 1.070 560 S CA -0.393 57.752 58.200 -0.091 0.000 0.923 560 S CB 0.160 63.306 63.200 -0.090 0.000 0.806 560 S HN 0.106 nan 8.310 nan 0.000 0.506 561 R N 1.025 121.463 120.500 -0.104 0.000 2.317 561 R HA 0.347 4.686 4.340 -0.001 0.000 0.208 561 R C -0.454 175.793 176.300 -0.088 0.000 0.914 561 R CA 0.355 56.422 56.100 -0.054 0.000 1.060 561 R CB 0.243 30.560 30.300 0.027 0.000 1.015 561 R HN 0.406 nan 8.270 nan 0.000 0.498 562 E N 0.951 121.035 120.200 -0.193 0.000 2.248 562 E HA 0.160 4.509 4.350 -0.001 0.000 0.267 562 E C -1.188 175.312 176.600 -0.166 0.000 0.877 562 E CA -0.949 55.283 56.400 -0.280 0.000 0.759 562 E CB 2.201 31.437 29.700 -0.773 0.000 1.182 562 E HN -0.291 nan 8.360 nan 0.000 0.418 563 K N 3.043 123.394 120.400 -0.082 0.000 2.220 563 K HA 0.189 4.509 4.320 -0.001 0.000 0.283 563 K C 0.729 177.320 176.600 -0.015 0.000 1.098 563 K CA 0.087 56.351 56.287 -0.038 0.000 0.928 563 K CB -0.515 31.979 32.500 -0.011 0.000 1.214 563 K HN 0.454 nan 8.250 nan 0.000 0.442 564 L N 1.733 122.940 121.223 -0.026 0.000 2.313 564 L HA -0.011 4.328 4.340 -0.001 0.000 0.214 564 L C 0.838 177.697 176.870 -0.018 0.000 1.119 564 L CA 0.324 55.173 54.840 0.014 0.000 0.809 564 L CB -0.700 41.369 42.059 0.016 0.000 0.933 564 L HN 0.553 nan 8.230 nan 0.000 0.449 565 T N 0.711 115.237 114.554 -0.046 0.000 2.751 565 T HA 0.266 4.616 4.350 -0.001 0.000 0.290 565 T C 0.128 174.737 174.700 -0.151 0.000 0.919 565 T CA -0.602 61.446 62.100 -0.087 0.000 1.136 565 T CB 0.374 69.203 68.868 -0.066 0.000 0.875 565 T HN 0.097 nan 8.240 nan 0.000 0.532 566 M N 1.814 121.242 119.600 -0.286 0.000 2.318 566 M HA 0.480 4.960 4.480 -0.001 0.000 0.347 566 M C -0.383 175.588 176.300 -0.548 0.000 1.175 566 M CA -0.767 54.242 55.300 -0.485 0.000 1.075 566 M CB 1.483 33.581 32.600 -0.837 0.000 1.614 566 M HN 0.612 nan 8.290 nan 0.000 0.456 567 K N 3.533 123.683 120.400 -0.416 0.000 2.291 567 K HA 0.352 4.672 4.320 -0.001 0.000 0.242 567 K C -1.522 174.963 176.600 -0.192 0.000 1.098 567 K CA -0.421 55.719 56.287 -0.246 0.000 1.036 567 K CB 0.014 32.469 32.500 -0.075 0.000 1.655 567 K HN 0.577 nan 8.250 nan 0.000 0.432 568 F N 2.948 122.807 119.950 -0.151 0.000 2.504 568 F HA 0.037 4.564 4.527 -0.001 0.000 0.365 568 F C 1.243 177.044 175.800 0.002 0.000 1.140 568 F CA 0.075 57.990 58.000 -0.141 0.000 1.077 568 F CB 0.119 38.976 39.000 -0.239 0.000 1.106 568 F HN 0.566 nan 8.300 nan 0.000 0.578 569 H N -0.368 118.764 119.070 0.103 0.000 2.518 569 H HA -0.122 4.433 4.556 -0.001 0.000 0.289 569 H C 0.888 176.250 175.328 0.057 0.000 1.051 569 H CA 0.941 57.025 56.048 0.060 0.000 1.280 569 H CB -0.122 29.664 29.762 0.040 0.000 1.380 569 H HN 0.477 nan 8.280 nan 0.000 0.566 570 D N -0.824 119.694 120.400 0.197 0.000 2.264 570 D HA 0.079 4.719 4.640 -0.001 0.000 0.249 570 D C 1.262 177.602 176.300 0.066 0.000 1.070 570 D CA 0.189 54.251 54.000 0.103 0.000 0.912 570 D CB 1.719 42.575 40.800 0.093 0.000 1.193 570 D HN 0.360 nan 8.370 nan 0.000 0.427 571 G N 2.052 110.869 108.800 0.030 0.000 2.510 571 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.212 571 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.212 571 G C 0.860 175.756 174.900 -0.007 0.000 1.151 571 G CA 0.005 45.114 45.100 0.014 0.000 0.817 571 G HN 0.461 nan 8.290 nan 0.000 0.534 572 E N 0.567 120.759 120.200 -0.013 0.000 2.261 572 E HA 0.366 4.715 4.350 -0.001 0.000 0.308 572 E C -0.941 175.626 176.600 -0.054 0.000 1.400 572 E CA -0.217 56.169 56.400 -0.024 0.000 1.542 572 E CB 0.093 29.786 29.700 -0.012 0.000 1.369 572 E HN 0.022 nan 8.360 nan 0.000 0.493 573 V N 2.434 122.289 119.914 -0.098 0.000 2.610 573 V HA 0.210 4.329 4.120 -0.001 0.000 0.288 573 V C -1.349 174.635 176.094 -0.182 0.000 1.055 573 V CA -1.010 61.169 62.300 -0.201 0.000 0.902 573 V CB 1.688 33.249 31.823 -0.436 0.000 1.030 573 V HN 0.258 nan 8.190 nan 0.000 0.448 574 D N 5.488 125.847 120.400 -0.069 0.000 2.363 574 D HA 0.423 5.062 4.640 -0.001 0.000 0.263 574 D C 1.080 177.469 176.300 0.148 0.000 1.258 574 D CA 0.815 54.828 54.000 0.021 0.000 0.907 574 D CB 1.903 42.715 40.800 0.020 0.000 1.107 574 D HN 0.738 nan 8.370 nan 0.000 0.495 575 A N 2.944 125.876 122.820 0.186 0.000 2.119 575 A HA -0.061 4.258 4.320 -0.001 0.000 0.216 575 A C 2.019 179.851 177.584 0.413 0.000 1.152 575 A CA 0.943 53.219 52.037 0.399 0.000 0.708 575 A CB -0.367 18.840 19.000 0.346 0.000 0.805 575 A HN 0.580 nan 8.150 nan 0.000 0.460 576 S N -1.758 114.083 115.700 0.236 0.000 2.555 576 S HA -0.155 4.315 4.470 -0.001 0.000 0.230 576 S C 1.585 176.258 174.600 0.123 0.000 0.978 576 S CA 0.926 59.218 58.200 0.155 0.000 0.934 576 S CB -0.808 62.453 63.200 0.103 0.000 0.766 576 S HN 0.652 nan 8.310 nan 0.000 0.533 577 Y N 1.218 121.485 120.300 -0.054 0.000 2.439 577 Y HA 0.130 4.679 4.550 -0.001 0.000 0.292 577 Y C 0.829 176.333 175.900 -0.661 0.000 1.130 577 Y CA 0.813 58.707 58.100 -0.342 0.000 1.254 577 Y CB -0.017 38.123 38.460 -0.534 0.000 1.000 577 Y HN 0.301 nan 8.280 nan 0.000 0.554 578 F N -2.367 117.297 119.950 -0.477 0.000 2.727 578 F HA 0.130 4.656 4.527 -0.001 0.000 0.302 578 F C 1.486 177.068 175.800 -0.362 0.000 1.097 578 F CA -0.133 57.305 58.000 -0.937 0.000 1.330 578 F CB -0.460 38.197 39.000 -0.571 0.000 1.084 578 F HN 0.051 nan 8.300 nan 0.000 0.578 579 C N 0.308 119.592 119.300 -0.026 0.000 2.906 579 C HA 0.263 4.722 4.460 -0.001 0.000 0.274 579 C C 0.814 175.821 174.990 0.028 0.000 1.257 579 C CA -0.402 58.639 59.018 0.038 0.000 1.695 579 C CB -1.861 25.912 27.740 0.055 0.000 1.958 579 C HN 0.363 nan 8.230 nan 0.000 0.619 580 K N -0.432 119.968 120.400 -0.000 0.000 2.533 580 K HA 0.610 4.929 4.320 -0.001 0.000 0.272 580 K C -1.173 175.433 176.600 0.011 0.000 0.985 580 K CA -0.847 55.446 56.287 0.009 0.000 0.876 580 K CB 0.897 33.400 32.500 0.004 0.000 1.452 580 K HN -0.125 nan 8.250 nan 0.000 0.439 581 L N 2.462 123.676 121.223 -0.014 0.000 2.477 581 L HA 0.269 4.609 4.340 -0.001 0.000 0.272 581 L C -2.398 174.465 176.870 -0.011 0.000 1.157 581 L CA -1.099 53.711 54.840 -0.050 0.000 0.889 581 L CB -0.058 41.972 42.059 -0.048 0.000 1.158 581 L HN 0.524 nan 8.230 nan 0.000 0.473 582 P HA 0.030 nan 4.420 nan 0.000 0.265 582 P C 0.170 177.594 177.300 0.207 0.000 1.193 582 P CA -0.062 63.110 63.100 0.120 0.000 0.765 582 P CB 0.490 32.306 31.700 0.194 0.000 0.823 583 E N 3.105 123.414 120.200 0.182 0.000 2.160 583 E HA -0.218 4.131 4.350 -0.001 0.000 0.195 583 E C 1.293 177.991 176.600 0.163 0.000 0.991 583 E CA 1.457 57.929 56.400 0.121 0.000 0.810 583 E CB -0.233 29.565 29.700 0.164 0.000 0.742 583 E HN 0.582 nan 8.360 nan 0.000 0.466 584 K N -0.122 120.381 120.400 0.170 0.000 2.160 584 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 584 K C 1.479 177.954 176.600 -0.208 0.000 1.047 584 K CA 1.316 57.589 56.287 -0.023 0.000 0.930 584 K CB -0.235 32.188 32.500 -0.128 0.000 0.720 584 K HN 0.108 nan 8.250 nan 0.000 0.450 585 F N 0.169 120.157 119.950 0.063 0.000 2.653 585 F HA 0.232 4.758 4.527 -0.001 0.000 0.304 585 F C 1.764 177.588 175.800 0.041 0.000 1.092 585 F CA -0.489 57.548 58.000 0.062 0.000 1.279 585 F CB 0.362 39.460 39.000 0.163 0.000 1.044 585 F HN -0.143 nan 8.300 nan 0.000 0.564 586 R N -0.070 120.443 120.500 0.021 0.000 2.313 586 R HA 0.065 4.404 4.340 -0.001 0.000 0.199 586 R C 0.193 176.154 176.300 -0.565 0.000 0.958 586 R CA 0.878 56.798 56.100 -0.299 0.000 1.047 586 R CB -0.268 29.727 30.300 -0.508 0.000 0.955 586 R HN 0.313 nan 8.270 nan 0.000 0.481 587 F N -0.300 119.695 119.950 0.074 0.000 2.798 587 F HA 0.133 4.659 4.527 -0.001 0.000 0.328 587 F C 0.515 176.338 175.800 0.038 0.000 1.098 587 F CA -0.669 57.359 58.000 0.046 0.000 1.172 587 F CB 0.713 39.724 39.000 0.018 0.000 1.072 587 F HN -0.279 nan 8.300 nan 0.000 0.555 588 V N -0.170 119.828 119.914 0.141 0.000 2.715 588 V HA 0.215 4.334 4.120 -0.001 0.000 0.299 588 V C 0.207 176.341 176.094 0.065 0.000 1.054 588 V CA -1.102 61.238 62.300 0.067 0.000 1.077 588 V CB 1.007 32.765 31.823 -0.107 0.000 0.972 588 V HN 0.162 nan 8.190 nan 0.000 0.484 589 K N 3.263 123.697 120.400 0.057 0.000 2.234 589 K HA 0.529 4.848 4.320 -0.001 0.000 0.282 589 K C 0.382 177.011 176.600 0.049 0.000 1.039 589 K CA -0.479 55.843 56.287 0.059 0.000 0.928 589 K CB 0.926 33.454 32.500 0.047 0.000 1.039 589 K HN 0.904 nan 8.250 nan 0.000 0.470 590 I N 0.557 121.182 120.570 0.091 0.000 3.856 590 I HA 0.233 4.402 4.170 -0.001 0.000 0.330 590 I C -1.061 175.113 176.117 0.096 0.000 1.546 590 I CA -0.903 60.468 61.300 0.119 0.000 1.132 590 I CB 0.172 38.296 38.000 0.206 0.000 1.157 590 I HN 0.341 nan 8.210 nan 0.000 0.440 591 N N 1.109 119.849 118.700 0.067 0.000 2.573 591 N HA 0.391 5.131 4.740 -0.001 0.000 0.262 591 N C -0.653 174.880 175.510 0.039 0.000 1.029 591 N CA -0.741 52.342 53.050 0.055 0.000 0.882 591 N CB 1.288 39.807 38.487 0.054 0.000 1.204 591 N HN 0.163 nan 8.380 nan 0.000 0.519 592 R N 1.991 122.510 120.500 0.032 0.000 2.490 592 R HA 0.367 4.706 4.340 -0.001 0.000 0.278 592 R C -0.768 175.544 176.300 0.020 0.000 1.069 592 R CA -0.209 55.905 56.100 0.022 0.000 1.080 592 R CB 0.710 31.019 30.300 0.015 0.000 1.030 592 R HN 0.652 nan 8.270 nan 0.000 0.491 593 K N 1.664 122.074 120.400 0.018 0.000 2.592 593 K HA 0.220 4.539 4.320 -0.001 0.000 0.259 593 K C -1.653 174.947 176.600 0.000 0.000 0.937 593 K CA -0.480 55.811 56.287 0.007 0.000 0.874 593 K CB 1.592 34.098 32.500 0.010 0.000 1.339 593 K HN 0.740 nan 8.250 nan 0.000 0.425 594 A N 1.587 124.396 122.820 -0.018 0.000 2.445 594 A HA 0.330 4.649 4.320 -0.001 0.000 0.242 594 A C 0.837 178.398 177.584 -0.039 0.000 1.075 594 A CA 0.770 52.781 52.037 -0.043 0.000 0.777 594 A CB 0.372 19.331 19.000 -0.069 0.000 1.013 594 A HN 0.894 nan 8.150 nan 0.000 0.493 595 S N 1.488 117.154 115.700 -0.055 0.000 2.882 595 S HA 0.177 4.646 4.470 -0.001 0.000 0.258 595 S C 0.869 175.433 174.600 -0.060 0.000 1.081 595 S CA 0.447 58.626 58.200 -0.035 0.000 0.886 595 S CB -0.633 62.565 63.200 -0.003 0.000 0.855 595 S HN 1.047 nan 8.310 nan 0.000 0.467 596 I N 0.000 120.476 120.570 -0.157 0.000 2.984 596 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 596 I CA 0.000 61.120 61.300 -0.300 0.000 1.566 596 I CB 0.000 37.482 38.000 -0.863 0.000 1.214 596 I HN 0.000 nan 8.210 nan 0.000 0.494