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 3ikm_1_E DATA FIRST_RESID 67 DATA SEQUENCE EALLEICQRR HFLSGSKQQL SRDSLLSGCH PGFGPLGVEL RKNLAAEWWT DATA SEQUENCE SVVVFREQVF PVDALHHKPG PXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXGKLRENLL HGALEHYVNC LDLVNKRLPY GLAQIGVCFH DATA SEQUENCE PVXXXXXXXX XXKSIGEKTE ASLVWFTPPR TSNQWLDFWL RHRLQWWRKF DATA SEQUENCE AMSPSNFSSS DCQDEEGRKG NKLYYNFPWG KELIETLWNL GDHELLHMYP DATA SEQUENCE GNVSKLHGRD GRKNVVPCVL SVNGDLDRGM LAYLYDSFQX XXXXXXXXXX DATA SEQUENCE XXRKVLKLHP CLAPIKVALD VGRGPTLELR QVCQGLFNEL LENGISVWPG DATA SEQUENCE YLETMQSSLE QLYSKYDEMS ILFTVLVTET TLENGLIHLR SRDTTMKEMM DATA SEQUENCE HISKLKDFLI KYISSAKNV 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 67 E HA 0.000 nan 4.350 nan 0.000 0.291 67 E C 0.000 176.604 176.600 0.007 0.000 1.382 67 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 67 E CB 0.000 29.678 29.700 -0.037 0.000 0.812 68 A N 2.852 125.670 122.820 -0.003 0.000 2.067 68 A HA 0.043 4.363 4.320 0.000 0.000 0.217 68 A C 1.724 179.243 177.584 -0.108 0.000 1.156 68 A CA 0.922 52.920 52.037 -0.065 0.000 0.683 68 A CB -0.367 18.559 19.000 -0.122 0.000 0.808 68 A HN 0.449 nan 8.150 nan 0.000 0.455 69 L N -0.423 120.746 121.223 -0.090 0.000 1.976 69 L HA -0.294 4.046 4.340 0.000 0.000 0.223 69 L C 2.281 179.108 176.870 -0.071 0.000 1.081 69 L CA 1.985 56.764 54.840 -0.103 0.000 0.784 69 L CB -1.340 40.718 42.059 -0.001 0.000 0.896 69 L HN 0.371 nan 8.230 nan 0.000 0.438 70 L N -0.803 120.427 121.223 0.012 0.000 2.131 70 L HA -0.368 3.972 4.340 0.000 0.000 0.247 70 L C 2.527 179.393 176.870 -0.006 0.000 1.112 70 L CA 2.315 57.178 54.840 0.038 0.000 0.843 70 L CB -1.267 40.834 42.059 0.071 0.000 0.948 70 L HN 0.270 nan 8.230 nan 0.000 0.444 71 E N -0.500 119.690 120.200 -0.017 0.000 2.108 71 E HA -0.255 4.095 4.350 0.000 0.000 0.203 71 E C 1.926 178.486 176.600 -0.066 0.000 1.022 71 E CA 1.713 58.092 56.400 -0.036 0.000 0.823 71 E CB -0.292 29.384 29.700 -0.040 0.000 0.744 71 E HN 0.391 nan 8.360 nan 0.000 0.456 72 I N 0.062 120.570 120.570 -0.104 0.000 2.800 72 I HA -0.283 3.887 4.170 0.000 0.000 0.266 72 I C 1.809 177.846 176.117 -0.133 0.000 1.249 72 I CA 0.725 61.938 61.300 -0.145 0.000 1.458 72 I CB -0.530 37.333 38.000 -0.229 0.000 1.093 72 I HN 0.325 nan 8.210 nan 0.000 0.466 73 C N -1.368 117.873 119.300 -0.098 0.000 2.524 73 C HA -0.035 4.425 4.460 0.000 0.000 0.284 73 C C 2.698 177.716 174.990 0.047 0.000 1.346 73 C CA 0.051 59.044 59.018 -0.042 0.000 1.739 73 C CB -0.822 26.922 27.740 0.006 0.000 2.119 73 C HN 0.541 nan 8.230 nan 0.000 0.501 74 Q N 1.495 121.282 119.800 -0.021 0.000 2.061 74 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 74 Q C 0.660 176.553 176.000 -0.178 0.000 0.984 74 Q CA 1.206 56.929 55.803 -0.133 0.000 0.846 74 Q CB -0.201 28.456 28.738 -0.135 0.000 0.902 74 Q HN 0.598 nan 8.270 nan 0.000 0.421 75 R N 1.389 121.836 120.500 -0.088 0.000 2.549 75 R HA -0.066 4.274 4.340 0.000 0.000 0.336 75 R C -0.050 176.251 176.300 0.002 0.000 0.891 75 R CA 0.294 56.367 56.100 -0.045 0.000 1.102 75 R CB 0.116 30.390 30.300 -0.043 0.000 0.899 75 R HN 0.274 nan 8.270 nan 0.000 0.407 76 R N 1.568 122.114 120.500 0.077 0.000 3.774 76 R HA -0.158 4.182 4.340 0.000 0.000 0.320 76 R C -0.820 175.609 176.300 0.215 0.000 1.175 76 R CA 0.587 56.773 56.100 0.142 0.000 0.849 76 R CB -2.776 27.541 30.300 0.028 0.000 1.365 76 R HN 0.954 nan 8.270 nan 0.000 0.502 77 H N -0.900 118.208 119.070 0.064 0.000 2.262 77 H HA -0.189 4.367 4.556 0.000 0.000 0.303 77 H C -0.221 175.164 175.328 0.095 0.000 0.860 77 H CA 1.483 57.578 56.048 0.079 0.000 1.000 77 H CB -1.171 28.620 29.762 0.049 0.000 1.584 77 H HN 0.338 nan 8.280 nan 0.000 0.304 78 F N 4.765 124.738 119.950 0.039 0.000 2.334 78 F HA 0.466 4.993 4.527 0.000 0.000 0.367 78 F C -0.126 175.705 175.800 0.051 0.000 1.115 78 F CA -0.691 57.327 58.000 0.030 0.000 1.116 78 F CB 0.068 39.068 39.000 0.001 0.000 1.230 78 F HN 0.540 nan 8.300 nan 0.000 0.484 79 L N 2.651 123.842 121.223 -0.053 0.000 0.632 79 L HA 0.038 4.378 4.340 0.000 0.000 0.356 79 L C -1.310 175.644 176.870 0.139 0.000 0.970 79 L CA 0.167 55.061 54.840 0.091 0.000 1.223 79 L CB -1.802 40.375 42.059 0.197 0.000 0.087 79 L HN 0.917 nan 8.230 nan 0.000 0.098 80 S N -0.396 115.385 115.700 0.135 0.000 2.548 80 S HA 1.037 5.507 4.470 0.000 0.000 0.276 80 S C -0.087 174.569 174.600 0.094 0.000 1.129 80 S CA 0.392 58.676 58.200 0.140 0.000 0.931 80 S CB 1.402 64.686 63.200 0.140 0.000 1.068 80 S HN 2.997 nan 8.310 nan 0.000 0.480 81 G N 0.914 109.760 108.800 0.077 0.000 2.321 81 G HA2 0.360 4.320 3.960 0.000 0.000 0.339 81 G HA3 0.360 4.320 3.960 0.000 0.000 0.339 81 G C -0.316 174.610 174.900 0.044 0.000 1.518 81 G CA -0.113 45.024 45.100 0.061 0.000 0.994 81 G HN 0.931 nan 8.290 nan 0.000 0.668 82 S N -0.795 114.929 115.700 0.041 0.000 2.184 82 S HA 0.457 4.927 4.470 0.000 0.000 0.159 82 S C 1.510 176.132 174.600 0.037 0.000 1.364 82 S CA 1.162 59.381 58.200 0.032 0.000 2.236 82 S CB 0.252 63.470 63.200 0.030 0.000 0.365 82 S HN 0.546 nan 8.310 nan 0.000 0.359 83 K N -0.055 120.367 120.400 0.036 0.000 2.462 83 K HA 0.205 4.525 4.320 0.000 0.000 0.201 83 K C 1.874 178.498 176.600 0.040 0.000 1.268 83 K CA 0.363 56.675 56.287 0.041 0.000 0.933 83 K CB -0.396 32.125 32.500 0.036 0.000 1.162 83 K HN 0.507 nan 8.250 nan 0.000 0.527 84 Q N 1.233 121.051 119.800 0.031 0.000 2.369 84 Q HA -0.017 4.323 4.340 0.000 0.000 0.206 84 Q C 1.476 177.493 176.000 0.028 0.000 0.963 84 Q CA 1.259 57.078 55.803 0.026 0.000 0.894 84 Q CB 0.210 28.959 28.738 0.019 0.000 0.965 84 Q HN 0.082 nan 8.270 nan 0.000 0.475 85 Q N 0.346 120.167 119.800 0.035 0.000 1.806 85 Q HA -0.066 4.274 4.340 0.000 0.000 0.277 85 Q C 0.471 176.500 176.000 0.049 0.000 0.993 85 Q CA 1.390 57.216 55.803 0.039 0.000 0.888 85 Q CB -0.437 28.329 28.738 0.047 0.000 0.941 85 Q HN 0.511 nan 8.270 nan 0.000 0.420 86 L N -0.283 120.985 121.223 0.075 0.000 2.701 86 L HA 0.442 4.782 4.340 0.000 0.000 0.237 86 L C 0.268 177.200 176.870 0.104 0.000 1.204 86 L CA -0.340 54.560 54.840 0.100 0.000 1.109 86 L CB 0.743 42.897 42.059 0.159 0.000 1.409 86 L HN -0.128 nan 8.230 nan 0.000 0.428 87 S N 0.569 116.313 115.700 0.074 0.000 2.700 87 S HA 0.113 4.583 4.470 0.000 0.000 0.250 87 S C 1.206 175.863 174.600 0.094 0.000 1.355 87 S CA -0.135 58.111 58.200 0.076 0.000 0.970 87 S CB 0.239 63.465 63.200 0.044 0.000 0.975 87 S HN 0.592 nan 8.310 nan 0.000 0.563 88 R N 1.635 122.184 120.500 0.081 0.000 2.845 88 R HA 0.149 4.489 4.340 0.000 0.000 0.220 88 R C 0.086 176.360 176.300 -0.043 0.000 1.528 88 R CA 0.495 56.639 56.100 0.074 0.000 1.374 88 R CB -0.859 29.464 30.300 0.038 0.000 1.104 88 R HN 0.456 nan 8.270 nan 0.000 0.510 89 D N -3.347 117.051 120.400 -0.004 0.000 2.001 89 D HA -0.061 4.579 4.640 0.000 0.000 0.337 89 D C 1.191 177.484 176.300 -0.011 0.000 1.148 89 D CA 0.087 54.061 54.000 -0.043 0.000 1.057 89 D CB -0.549 40.211 40.800 -0.067 0.000 1.884 89 D HN 0.070 nan 8.370 nan 0.000 0.529 90 S N 1.081 116.785 115.700 0.007 0.000 2.380 90 S HA -0.152 4.318 4.470 0.000 0.000 0.229 90 S C 2.025 176.626 174.600 0.001 0.000 1.043 90 S CA 0.975 59.169 58.200 -0.011 0.000 1.038 90 S CB -0.234 62.979 63.200 0.022 0.000 0.872 90 S HN 0.088 nan 8.310 nan 0.000 0.456 91 L N 1.357 122.650 121.223 0.116 0.000 1.943 91 L HA -0.089 4.251 4.340 0.000 0.000 0.215 91 L C 2.441 179.393 176.870 0.136 0.000 1.074 91 L CA 1.883 56.863 54.840 0.233 0.000 0.759 91 L CB -1.844 40.375 42.059 0.266 0.000 0.888 91 L HN 0.430 nan 8.230 nan 0.000 0.433 92 L N -0.731 120.537 121.223 0.076 0.000 2.450 92 L HA -0.165 4.175 4.340 0.000 0.000 0.225 92 L C 1.945 178.797 176.870 -0.030 0.000 1.145 92 L CA 0.602 55.446 54.840 0.006 0.000 0.801 92 L CB -0.691 41.341 42.059 -0.046 0.000 0.924 92 L HN 0.194 nan 8.230 nan 0.000 0.447 93 S N -0.672 115.001 115.700 -0.046 0.000 2.540 93 S HA 0.239 4.709 4.470 0.000 0.000 0.218 93 S C 1.747 176.238 174.600 -0.182 0.000 0.977 93 S CA 0.399 58.544 58.200 -0.091 0.000 0.918 93 S CB 0.799 63.949 63.200 -0.082 0.000 0.806 93 S HN 0.598 nan 8.310 nan 0.000 0.496 94 G N 0.955 109.600 108.800 -0.259 0.000 2.230 94 G HA2 -0.408 3.552 3.960 0.000 0.000 0.270 94 G HA3 -0.408 3.552 3.960 0.000 0.000 0.270 94 G C 0.981 175.121 174.900 -1.267 0.000 0.987 94 G CA 0.912 45.592 45.100 -0.699 0.000 0.664 94 G HN 0.612 nan 8.290 nan 0.000 0.539 95 C N 1.937 120.883 119.300 -0.590 0.000 2.437 95 C HA 0.120 4.580 4.460 0.000 0.000 0.283 95 C C 1.548 176.348 174.990 -0.317 0.000 1.424 95 C CA -0.047 58.760 59.018 -0.351 0.000 1.782 95 C CB -1.669 25.975 27.740 -0.161 0.000 1.833 95 C HN 0.775 nan 8.230 nan 0.000 0.532 96 H N 1.291 120.333 119.070 -0.047 0.000 3.192 96 H HA -0.082 4.474 4.556 -0.000 0.000 0.304 96 H C -1.513 173.743 175.328 -0.121 0.000 0.961 96 H CA -0.551 55.457 56.048 -0.065 0.000 1.342 96 H CB -0.426 29.291 29.762 -0.076 0.000 1.242 96 H HN 0.278 nan 8.280 nan 0.000 0.583 97 P HA 0.008 nan 4.420 nan 0.000 0.236 97 P C 0.655 177.939 177.300 -0.027 0.000 1.172 97 P CA 1.373 64.488 63.100 0.025 0.000 0.759 97 P CB 0.164 31.881 31.700 0.027 0.000 0.843 98 G N -1.098 107.641 108.800 -0.102 0.000 2.375 98 G HA2 0.098 4.058 3.960 0.000 0.000 0.663 98 G HA3 0.098 4.058 3.960 0.000 0.000 0.663 98 G C -0.888 173.822 174.900 -0.317 0.000 1.391 98 G CA -1.059 43.827 45.100 -0.356 0.000 0.949 98 G HN -0.111 nan 8.290 nan 0.000 0.646 99 F N 0.281 120.116 119.950 -0.190 0.000 2.352 99 F HA 0.760 5.287 4.527 0.000 0.000 0.304 99 F C 1.441 177.191 175.800 -0.084 0.000 1.215 99 F CA 0.251 58.147 58.000 -0.173 0.000 1.121 99 F CB 0.619 39.486 39.000 -0.222 0.000 1.329 99 F HN 0.780 nan 8.300 nan 0.000 0.528 100 G N -0.926 107.951 108.800 0.128 0.000 2.630 100 G HA2 0.505 4.465 3.960 0.000 0.000 0.296 100 G HA3 0.505 4.465 3.960 0.000 0.000 0.296 100 G C -2.529 172.389 174.900 0.029 0.000 1.285 100 G CA -1.645 43.517 45.100 0.103 0.000 0.958 100 G HN 0.272 nan 8.290 nan 0.000 0.479 101 P HA -0.184 nan 4.420 nan 0.000 0.219 101 P C 2.040 179.326 177.300 -0.023 0.000 1.158 101 P CA 0.733 63.843 63.100 0.018 0.000 0.895 101 P CB 0.301 32.021 31.700 0.033 0.000 0.792 102 L N -0.571 120.640 121.223 -0.020 0.000 2.027 102 L HA -0.037 4.303 4.340 0.000 0.000 0.206 102 L C 2.216 178.922 176.870 -0.274 0.000 1.074 102 L CA 2.668 57.467 54.840 -0.069 0.000 0.745 102 L CB -1.993 40.105 42.059 0.066 0.000 0.898 102 L HN 0.049 nan 8.230 nan 0.000 0.433 103 G N -0.781 107.728 108.800 -0.485 0.000 2.442 103 G HA2 -0.198 3.762 3.960 0.000 0.000 0.219 103 G HA3 -0.198 3.762 3.960 0.000 0.000 0.219 103 G C 1.660 176.332 174.900 -0.381 0.000 1.141 103 G CA 1.040 45.737 45.100 -0.672 0.000 0.763 103 G HN 0.355 nan 8.290 nan 0.000 0.554 104 V N 0.467 120.263 119.914 -0.197 0.000 2.453 104 V HA -0.099 4.021 4.120 0.000 0.000 0.247 104 V C 2.529 178.556 176.094 -0.112 0.000 1.048 104 V CA 2.038 64.268 62.300 -0.117 0.000 1.049 104 V CB -0.059 31.747 31.823 -0.028 0.000 0.672 104 V HN 0.603 nan 8.190 nan 0.000 0.457 105 E N 0.008 120.147 120.200 -0.101 0.000 2.150 105 E HA -0.236 4.114 4.350 0.000 0.000 0.193 105 E C 2.150 178.688 176.600 -0.102 0.000 0.985 105 E CA 1.086 57.443 56.400 -0.071 0.000 0.814 105 E CB -0.063 29.613 29.700 -0.041 0.000 0.752 105 E HN 0.450 nan 8.360 nan 0.000 0.466 106 L N 1.359 122.485 121.223 -0.161 0.000 2.056 106 L HA -0.118 4.222 4.340 0.000 0.000 0.207 106 L C 2.234 179.001 176.870 -0.172 0.000 1.078 106 L CA 1.621 56.359 54.840 -0.170 0.000 0.749 106 L CB -0.359 41.559 42.059 -0.236 0.000 0.901 106 L HN 0.015 nan 8.230 nan 0.000 0.433 107 R N 0.104 120.480 120.500 -0.207 0.000 2.094 107 R HA -0.229 4.111 4.340 0.000 0.000 0.239 107 R C 2.255 178.488 176.300 -0.112 0.000 1.137 107 R CA 2.214 58.206 56.100 -0.180 0.000 0.943 107 R CB -0.509 29.671 30.300 -0.199 0.000 0.850 107 R HN 0.569 nan 8.270 nan 0.000 0.433 108 K N 1.101 121.446 120.400 -0.093 0.000 1.991 108 K HA -0.181 4.139 4.320 0.000 0.000 0.212 108 K C 1.774 178.341 176.600 -0.055 0.000 1.049 108 K CA 1.911 58.160 56.287 -0.064 0.000 0.932 108 K CB -0.687 31.782 32.500 -0.052 0.000 0.717 108 K HN 0.201 nan 8.250 nan 0.000 0.441 109 N N 2.055 120.713 118.700 -0.070 0.000 2.069 109 N HA -0.230 4.510 4.740 0.000 0.000 0.191 109 N C 1.967 177.422 175.510 -0.091 0.000 1.031 109 N CA 1.636 54.638 53.050 -0.079 0.000 0.852 109 N CB -0.712 37.718 38.487 -0.096 0.000 1.018 109 N HN 0.284 nan 8.380 nan 0.000 0.423 110 L N 0.822 121.979 121.223 -0.110 0.000 2.046 110 L HA 0.028 4.368 4.340 0.000 0.000 0.208 110 L C 2.489 179.388 176.870 0.049 0.000 1.077 110 L CA 1.890 56.671 54.840 -0.098 0.000 0.747 110 L CB -1.054 40.935 42.059 -0.118 0.000 0.896 110 L HN 0.311 nan 8.230 nan 0.000 0.432 111 A N -0.668 122.172 122.820 0.032 0.000 1.897 111 A HA 0.015 4.335 4.320 0.000 0.000 0.215 111 A C 2.442 180.142 177.584 0.193 0.000 1.181 111 A CA 1.590 53.680 52.037 0.089 0.000 0.620 111 A CB -1.163 17.837 19.000 0.001 0.000 0.821 111 A HN 0.567 nan 8.150 nan 0.000 0.443 112 A N 0.104 123.003 122.820 0.132 0.000 1.851 112 A HA -0.208 4.112 4.320 0.000 0.000 0.216 112 A C 1.856 179.593 177.584 0.254 0.000 1.195 112 A CA 1.872 54.028 52.037 0.198 0.000 0.622 112 A CB -0.660 18.403 19.000 0.104 0.000 0.831 112 A HN 0.451 nan 8.150 nan 0.000 0.444 113 E N -1.191 119.125 120.200 0.193 0.000 2.136 113 E HA -0.289 4.061 4.350 0.000 0.000 0.202 113 E C 1.671 178.280 176.600 0.015 0.000 1.019 113 E CA 1.603 58.145 56.400 0.236 0.000 0.819 113 E CB -0.618 29.287 29.700 0.340 0.000 0.739 113 E HN 0.894 nan 8.360 nan 0.000 0.458 114 W N 0.848 121.980 121.300 -0.280 0.000 2.363 114 W HA -0.146 4.514 4.660 0.000 0.000 0.296 114 W C 1.119 177.389 176.519 -0.416 0.000 1.212 114 W CA 0.915 57.734 57.345 -0.877 0.000 1.260 114 W CB -0.053 29.095 29.460 -0.520 0.000 1.131 114 W HN 0.105 nan 8.180 nan 0.000 0.530 115 W N 3.329 124.617 121.300 -0.021 0.000 1.606 115 W HA 0.238 4.898 4.660 0.000 0.000 0.455 115 W C -0.199 176.276 176.519 -0.072 0.000 0.711 115 W CA 1.280 58.619 57.345 -0.010 0.000 1.876 115 W CB -0.419 29.119 29.460 0.130 0.000 1.776 115 W HN 0.111 nan 8.180 nan 0.000 0.229 116 T N -3.140 111.253 114.554 -0.267 0.000 3.750 116 T HA -0.142 4.208 4.350 0.000 0.000 0.210 116 T C 1.352 176.032 174.700 -0.033 0.000 0.699 116 T CA 0.448 62.495 62.100 -0.088 0.000 1.027 116 T CB -0.307 68.624 68.868 0.104 0.000 0.856 116 T HN -0.068 nan 8.240 nan 0.000 0.334 117 S N 0.924 116.536 115.700 -0.146 0.000 2.512 117 S HA -0.053 4.417 4.470 0.000 0.000 0.253 117 S C 1.472 175.684 174.600 -0.647 0.000 0.984 117 S CA 1.553 59.423 58.200 -0.550 0.000 0.962 117 S CB -0.665 62.160 63.200 -0.625 0.000 0.747 117 S HN 0.606 nan 8.310 nan 0.000 0.525 118 V N -0.076 119.547 119.914 -0.486 0.000 3.134 118 V HA 0.110 4.230 4.120 0.000 0.000 0.222 118 V C 1.981 177.911 176.094 -0.274 0.000 1.247 118 V CA 0.911 62.961 62.300 -0.417 0.000 1.281 118 V CB -0.049 31.374 31.823 -0.668 0.000 1.169 118 V HN 0.342 nan 8.190 nan 0.000 0.512 119 V N -0.580 119.074 119.914 -0.433 0.000 2.343 119 V HA -0.100 4.020 4.120 0.000 0.000 0.247 119 V C 2.318 178.261 176.094 -0.251 0.000 1.051 119 V CA 2.473 64.506 62.300 -0.445 0.000 1.036 119 V CB -1.037 30.282 31.823 -0.841 0.000 0.654 119 V HN 0.357 nan 8.190 nan 0.000 0.451 120 V N -0.611 119.225 119.914 -0.129 0.000 2.407 120 V HA -0.048 4.072 4.120 0.000 0.000 0.245 120 V C 2.268 178.389 176.094 0.046 0.000 1.041 120 V CA 1.852 64.144 62.300 -0.014 0.000 1.040 120 V CB -0.324 31.514 31.823 0.025 0.000 0.671 120 V HN 0.455 nan 8.190 nan 0.000 0.455 121 F N 1.719 121.591 119.950 -0.130 0.000 1.992 121 F HA 0.047 4.574 4.527 -0.000 0.000 0.292 121 F C 1.457 177.187 175.800 -0.116 0.000 1.192 121 F CA 0.907 58.850 58.000 -0.095 0.000 1.157 121 F CB -0.983 37.965 39.000 -0.087 0.000 0.981 121 F HN 0.085 nan 8.300 nan 0.000 0.483 122 R N 2.509 123.066 120.500 0.095 0.000 2.429 122 R HA 0.070 4.410 4.340 0.000 0.000 0.302 122 R C 0.467 176.717 176.300 -0.084 0.000 1.268 122 R CA 0.077 56.169 56.100 -0.013 0.000 1.090 122 R CB -0.430 29.846 30.300 -0.040 0.000 1.102 122 R HN 0.438 nan 8.270 nan 0.000 0.522 123 E N 3.077 123.203 120.200 -0.123 0.000 2.472 123 E HA -0.230 4.120 4.350 0.000 0.000 0.200 123 E C 1.234 177.471 176.600 -0.605 0.000 1.046 123 E CA 1.218 57.467 56.400 -0.252 0.000 0.871 123 E CB 0.104 29.742 29.700 -0.104 0.000 0.806 123 E HN 0.719 nan 8.360 nan 0.000 0.533 124 Q N -0.322 119.239 119.800 -0.399 0.000 2.449 124 Q HA -0.072 4.268 4.340 0.000 0.000 0.214 124 Q C 0.138 175.586 176.000 -0.921 0.000 0.986 124 Q CA 0.887 56.410 55.803 -0.466 0.000 0.893 124 Q CB -0.292 28.394 28.738 -0.087 0.000 0.940 124 Q HN 0.135 nan 8.270 nan 0.000 0.477 125 V N 1.375 120.830 119.914 -0.764 0.000 2.509 125 V HA 0.368 4.488 4.120 0.000 0.000 0.284 125 V C -0.507 175.056 176.094 -0.885 0.000 1.047 125 V CA -0.463 61.523 62.300 -0.524 0.000 0.952 125 V CB 0.401 32.129 31.823 -0.158 0.000 0.988 125 V HN 0.152 nan 8.190 nan 0.000 0.469 126 F N 4.051 124.015 119.950 0.023 0.000 2.576 126 F HA 0.540 5.067 4.527 0.000 0.000 0.313 126 F C -2.338 173.500 175.800 0.062 0.000 1.078 126 F CA -2.681 55.328 58.000 0.014 0.000 0.921 126 F CB 2.224 41.239 39.000 0.024 0.000 1.232 126 F HN 0.294 nan 8.300 nan 0.000 0.459 127 P HA 0.007 nan 4.420 nan 0.000 0.266 127 P C -0.477 177.020 177.300 0.328 0.000 1.215 127 P CA 0.387 63.779 63.100 0.486 0.000 0.763 127 P CB 1.531 33.623 31.700 0.653 0.000 0.806 128 V N 3.425 123.528 119.914 0.315 0.000 2.997 128 V HA 0.221 4.341 4.120 0.000 0.000 0.311 128 V C 0.040 176.243 176.094 0.182 0.000 1.066 128 V CA -0.511 61.913 62.300 0.206 0.000 1.039 128 V CB 1.432 33.417 31.823 0.269 0.000 1.081 128 V HN 0.469 nan 8.190 nan 0.000 0.467 129 D N 3.845 124.330 120.400 0.143 0.000 2.441 129 D HA 0.500 5.140 4.640 0.000 0.000 0.221 129 D C -0.058 176.356 176.300 0.190 0.000 1.156 129 D CA 0.020 54.123 54.000 0.173 0.000 0.896 129 D CB 0.632 41.549 40.800 0.196 0.000 1.028 129 D HN 0.812 nan 8.370 nan 0.000 0.509 130 A N 5.193 128.084 122.820 0.118 0.000 2.391 130 A HA 0.321 4.641 4.320 0.000 0.000 0.316 130 A C 0.148 177.715 177.584 -0.027 0.000 1.381 130 A CA -0.671 51.388 52.037 0.035 0.000 0.998 130 A CB 0.001 18.998 19.000 -0.005 0.000 1.147 130 A HN 0.707 nan 8.150 nan 0.000 0.545 131 L N 1.361 122.584 121.223 0.000 0.000 2.476 131 L HA 0.190 4.530 4.340 0.000 0.000 0.264 131 L C 1.144 178.015 176.870 0.002 0.000 1.224 131 L CA -0.154 54.724 54.840 0.063 0.000 0.821 131 L CB 0.669 42.719 42.059 -0.015 0.000 1.101 131 L HN 0.924 nan 8.230 nan 0.000 0.488 132 H N -0.765 118.348 119.070 0.072 0.000 2.506 132 H HA 0.108 4.664 4.556 0.000 0.000 0.289 132 H C -0.061 175.371 175.328 0.173 0.000 1.009 132 H CA 0.336 56.466 56.048 0.138 0.000 1.303 132 H CB 0.100 29.963 29.762 0.169 0.000 1.453 132 H HN 0.534 nan 8.280 nan 0.000 0.526 133 H N -0.491 118.689 119.070 0.183 0.000 2.737 133 H HA 0.672 5.228 4.556 0.000 0.000 0.358 133 H C -0.916 174.451 175.328 0.065 0.000 1.187 133 H CA -0.948 55.172 56.048 0.120 0.000 1.221 133 H CB 2.267 32.086 29.762 0.095 0.000 1.799 133 H HN -0.001 nan 8.280 nan 0.000 0.568 134 K N 1.624 121.993 120.400 -0.052 0.000 2.482 134 K HA 0.261 4.581 4.320 0.000 0.000 0.251 134 K C -2.682 173.936 176.600 0.029 0.000 0.936 134 K CA -2.052 54.164 56.287 -0.117 0.000 0.791 134 K CB 2.179 34.652 32.500 -0.046 0.000 1.213 134 K HN 0.477 nan 8.250 nan 0.000 0.428 135 P HA 0.042 nan 4.420 nan 0.000 0.258 135 P C -0.506 176.820 177.300 0.044 0.000 1.563 135 P CA 0.224 63.359 63.100 0.058 0.000 1.241 135 P CB 0.417 32.136 31.700 0.033 0.000 1.811 136 G N 3.345 112.180 108.800 0.058 0.000 2.871 136 G HA2 0.585 4.545 3.960 0.000 0.000 0.282 136 G HA3 0.585 4.545 3.960 0.000 0.000 0.282 136 G C -3.037 171.890 174.900 0.045 0.000 1.212 136 G CA -0.879 44.247 45.100 0.043 0.000 0.812 136 G HN 0.128 nan 8.290 nan 0.000 0.547 180 K N 2.005 122.471 120.400 0.110 0.000 2.328 180 K HA 0.865 5.185 4.320 0.000 0.000 0.246 180 K C 0.027 176.730 176.600 0.173 0.000 0.955 180 K CA -0.880 55.477 56.287 0.117 0.000 0.817 180 K CB 1.539 34.097 32.500 0.097 0.000 1.208 180 K HN 0.345 nan 8.250 nan 0.000 0.432 181 L N 1.262 122.601 121.223 0.194 0.000 2.836 181 L HA 0.646 4.986 4.340 0.000 0.000 0.216 181 L C -0.034 176.967 176.870 0.219 0.000 1.861 181 L CA -1.279 53.786 54.840 0.375 0.000 2.145 181 L CB 0.476 42.871 42.059 0.560 0.000 2.671 181 L HN 0.498 nan 8.230 nan 0.000 0.594 182 R N -0.097 120.342 120.500 -0.102 0.000 2.522 182 R HA 0.285 4.625 4.340 0.000 0.000 0.283 182 R C -0.631 175.117 176.300 -0.920 0.000 1.074 182 R CA -0.112 55.729 56.100 -0.432 0.000 0.925 182 R CB 2.030 32.199 30.300 -0.219 0.000 1.205 182 R HN 0.750 nan 8.270 nan 0.000 0.436 183 E N 2.302 122.205 120.200 -0.494 0.000 2.629 183 E HA 0.007 4.357 4.350 0.000 0.000 0.196 183 E C -0.945 175.513 176.600 -0.237 0.000 0.977 183 E CA 0.185 56.295 56.400 -0.483 0.000 1.663 183 E CB 0.520 29.853 29.700 -0.613 0.000 2.258 183 E HN 0.643 nan 8.360 nan 0.000 1.079 184 N N 1.420 120.024 118.700 -0.159 0.000 2.800 184 N HA 0.206 4.946 4.740 0.000 0.000 0.240 184 N C 0.505 176.005 175.510 -0.017 0.000 1.096 184 N CA -0.183 52.830 53.050 -0.062 0.000 0.877 184 N CB 0.710 39.170 38.487 -0.046 0.000 1.138 184 N HN 0.042 nan 8.380 nan 0.000 0.509 185 L N 0.334 121.547 121.223 -0.017 0.000 2.197 185 L HA -0.228 4.112 4.340 0.000 0.000 0.215 185 L C 1.897 178.803 176.870 0.060 0.000 1.095 185 L CA 0.840 55.684 54.840 0.008 0.000 0.764 185 L CB -0.353 41.716 42.059 0.018 0.000 0.897 185 L HN 0.521 nan 8.230 nan 0.000 0.436 186 L N -0.196 121.066 121.223 0.064 0.000 1.991 186 L HA -0.387 3.953 4.340 0.000 0.000 0.221 186 L C 2.552 179.512 176.870 0.150 0.000 1.079 186 L CA 2.482 57.375 54.840 0.089 0.000 0.778 186 L CB -1.383 40.707 42.059 0.052 0.000 0.893 186 L HN 0.498 nan 8.230 nan 0.000 0.437 187 H N -0.953 118.120 119.070 0.005 0.000 2.292 187 H HA -0.225 4.331 4.556 -0.000 0.000 0.292 187 H C 2.065 177.402 175.328 0.014 0.000 1.100 187 H CA 1.281 57.326 56.048 -0.005 0.000 1.238 187 H CB 0.034 29.773 29.762 -0.039 0.000 1.355 187 H HN 0.428 nan 8.280 nan 0.000 0.484 188 G N 0.144 108.985 108.800 0.068 0.000 2.631 188 G HA2 -0.394 3.566 3.960 0.000 0.000 0.219 188 G HA3 -0.394 3.566 3.960 0.000 0.000 0.219 188 G C 1.862 176.837 174.900 0.125 0.000 1.214 188 G CA 1.451 46.556 45.100 0.009 0.000 0.785 188 G HN 0.608 nan 8.290 nan 0.000 0.596 189 A N -0.011 122.936 122.820 0.211 0.000 1.972 189 A HA 0.088 4.408 4.320 0.000 0.000 0.219 189 A C 2.334 180.141 177.584 0.372 0.000 1.169 189 A CA 1.575 53.810 52.037 0.330 0.000 0.635 189 A CB -0.357 18.834 19.000 0.318 0.000 0.810 189 A HN 0.301 nan 8.150 nan 0.000 0.446 190 L N 0.507 121.914 121.223 0.307 0.000 2.187 190 L HA -0.193 4.147 4.340 0.000 0.000 0.213 190 L C 2.275 179.325 176.870 0.301 0.000 1.100 190 L CA 2.189 57.229 54.840 0.334 0.000 0.765 190 L CB -0.983 41.234 42.059 0.264 0.000 0.904 190 L HN 0.789 nan 8.230 nan 0.000 0.437 191 E N -2.461 117.811 120.200 0.120 0.000 2.511 191 E HA -0.132 4.218 4.350 0.000 0.000 0.196 191 E C 1.191 177.686 176.600 -0.173 0.000 1.066 191 E CA 0.819 57.172 56.400 -0.080 0.000 0.871 191 E CB -0.137 29.355 29.700 -0.345 0.000 0.863 191 E HN 0.504 nan 8.360 nan 0.000 0.520 192 H N -1.433 117.806 119.070 0.282 0.000 3.058 192 H HA 0.043 4.599 4.556 0.000 0.000 0.266 192 H C 0.569 175.980 175.328 0.139 0.000 1.135 192 H CA -0.011 56.153 56.048 0.193 0.000 1.174 192 H CB 0.022 29.881 29.762 0.160 0.000 1.581 192 H HN 0.233 nan 8.280 nan 0.000 0.553 193 Y N 1.912 122.280 120.300 0.114 0.000 2.062 193 Y HA -0.300 4.250 4.550 -0.000 0.000 0.276 193 Y C 2.319 178.142 175.900 -0.128 0.000 1.189 193 Y CA 2.105 60.148 58.100 -0.094 0.000 1.130 193 Y CB -0.614 37.806 38.460 -0.067 0.000 0.959 193 Y HN 0.029 nan 8.280 nan 0.000 0.499 194 V N 1.071 120.839 119.914 -0.244 0.000 2.283 194 V HA -0.240 3.880 4.120 0.000 0.000 0.243 194 V C 2.023 177.991 176.094 -0.210 0.000 1.039 194 V CA 2.433 64.500 62.300 -0.389 0.000 1.016 194 V CB -0.657 30.918 31.823 -0.414 0.000 0.650 194 V HN 0.588 nan 8.190 nan 0.000 0.449 195 N N -0.383 118.299 118.700 -0.029 0.000 2.149 195 N HA -0.182 4.558 4.740 0.000 0.000 0.188 195 N C 1.724 177.210 175.510 -0.040 0.000 1.019 195 N CA 2.019 55.092 53.050 0.037 0.000 0.857 195 N CB -0.504 38.126 38.487 0.239 0.000 0.997 195 N HN 0.528 nan 8.380 nan 0.000 0.426 196 C N 0.047 119.306 119.300 -0.068 0.000 2.525 196 C HA 0.198 4.658 4.460 0.000 0.000 0.291 196 C C 2.655 177.417 174.990 -0.380 0.000 1.351 196 C CA -0.606 58.290 59.018 -0.203 0.000 1.771 196 C CB -0.972 26.683 27.740 -0.143 0.000 2.177 196 C HN 0.364 nan 8.230 nan 0.000 0.510 197 L N 2.479 123.425 121.223 -0.461 0.000 2.064 197 L HA -0.216 4.124 4.340 0.000 0.000 0.216 197 L C 1.978 178.597 176.870 -0.417 0.000 1.077 197 L CA 2.815 57.300 54.840 -0.590 0.000 0.766 197 L CB -1.132 40.503 42.059 -0.705 0.000 0.890 197 L HN 0.393 nan 8.230 nan 0.000 0.435 198 D N -0.805 119.401 120.400 -0.324 0.000 2.220 198 D HA -0.218 4.422 4.640 0.000 0.000 0.198 198 D C 1.002 177.175 176.300 -0.212 0.000 1.001 198 D CA 1.442 55.307 54.000 -0.224 0.000 0.875 198 D CB -0.165 40.532 40.800 -0.170 0.000 0.921 198 D HN 0.351 nan 8.370 nan 0.000 0.454 199 L N -1.267 119.798 121.223 -0.263 0.000 2.448 199 L HA 0.278 4.618 4.340 0.000 0.000 0.258 199 L C 0.732 177.438 176.870 -0.272 0.000 1.104 199 L CA -0.400 54.285 54.840 -0.259 0.000 0.800 199 L CB 1.216 43.091 42.059 -0.306 0.000 1.241 199 L HN 0.029 nan 8.230 nan 0.000 0.472 200 V N 1.278 121.053 119.914 -0.232 0.000 3.774 200 V HA -0.318 3.802 4.120 0.000 0.000 0.216 200 V C 0.175 176.193 176.094 -0.127 0.000 0.441 200 V CA 0.885 63.083 62.300 -0.171 0.000 0.985 200 V CB -2.888 28.828 31.823 -0.179 0.000 1.085 200 V HN 0.945 nan 8.190 nan 0.000 1.240 201 N N -1.372 117.252 118.700 -0.128 0.000 2.648 201 N HA -0.206 4.534 4.740 0.000 0.000 0.265 201 N C 0.658 176.111 175.510 -0.095 0.000 1.100 201 N CA 1.685 54.678 53.050 -0.094 0.000 0.715 201 N CB -0.467 37.984 38.487 -0.061 0.000 0.881 201 N HN 0.850 nan 8.380 nan 0.000 0.548 202 K N -0.117 120.200 120.400 -0.138 0.000 1.721 202 K HA -0.321 3.999 4.320 0.000 0.000 0.121 202 K C 0.095 176.624 176.600 -0.119 0.000 1.152 202 K CA 2.153 58.355 56.287 -0.141 0.000 0.360 202 K CB -0.574 31.889 32.500 -0.062 0.000 0.626 202 K HN 0.682 nan 8.250 nan 0.000 0.878 203 R N -1.512 118.960 120.500 -0.046 0.000 3.577 203 R HA -0.182 4.158 4.340 0.000 0.000 0.589 203 R C -0.785 175.533 176.300 0.030 0.000 0.309 203 R CA 1.405 57.507 56.100 0.003 0.000 1.817 203 R CB -0.932 29.370 30.300 0.004 0.000 1.018 203 R HN 0.431 nan 8.270 nan 0.000 0.587 204 L N 0.948 122.229 121.223 0.096 0.000 2.518 204 L HA 0.633 4.973 4.340 0.000 0.000 0.257 204 L C -2.171 174.804 176.870 0.175 0.000 0.980 204 L CA -1.616 53.324 54.840 0.167 0.000 0.837 204 L CB 2.631 44.820 42.059 0.217 0.000 1.410 204 L HN 0.629 nan 8.230 nan 0.000 0.410 205 P HA 0.575 nan 4.420 nan 0.000 0.295 205 P C -1.965 175.241 177.300 -0.157 0.000 1.303 205 P CA -0.537 62.625 63.100 0.103 0.000 0.907 205 P CB 2.264 34.066 31.700 0.168 0.000 1.322 206 Y N -3.306 116.506 120.300 -0.812 0.000 2.896 206 Y HA 0.834 5.384 4.550 -0.000 0.000 0.317 206 Y C -0.755 174.359 175.900 -1.311 0.000 1.444 206 Y CA -1.246 56.261 58.100 -0.988 0.000 1.084 206 Y CB 0.670 38.943 38.460 -0.311 0.000 1.382 206 Y HN 0.629 nan 8.280 nan 0.000 0.471 207 G N 0.100 108.561 108.800 -0.566 0.000 2.672 207 G HA2 0.596 4.556 3.960 0.000 0.000 0.292 207 G HA3 0.596 4.556 3.960 0.000 0.000 0.292 207 G C -1.979 173.017 174.900 0.161 0.000 1.375 207 G CA -1.145 43.866 45.100 -0.148 0.000 0.890 207 G HN 0.726 nan 8.290 nan 0.000 0.476 208 L N 1.415 122.773 121.223 0.225 0.000 2.861 208 L HA 0.429 4.769 4.340 0.000 0.000 0.290 208 L C 0.952 177.978 176.870 0.259 0.000 1.346 208 L CA -0.632 54.378 54.840 0.284 0.000 0.779 208 L CB 0.834 43.105 42.059 0.355 0.000 1.143 208 L HN 0.673 nan 8.230 nan 0.000 0.548 209 A N 1.115 124.050 122.820 0.192 0.000 2.483 209 A HA 0.384 4.704 4.320 0.000 0.000 0.238 209 A C 0.220 178.097 177.584 0.488 0.000 1.070 209 A CA 0.471 52.668 52.037 0.267 0.000 0.770 209 A CB 0.587 19.621 19.000 0.056 0.000 1.008 209 A HN 0.601 nan 8.150 nan 0.000 0.497 210 Q N 2.374 122.540 119.800 0.610 0.000 3.428 210 Q HA 0.189 4.529 4.340 0.000 0.000 0.186 210 Q C -0.514 175.668 176.000 0.303 0.000 0.793 210 Q CA -0.675 55.498 55.803 0.616 0.000 0.903 210 Q CB 0.302 29.269 28.738 0.382 0.000 1.510 210 Q HN 0.961 nan 8.270 nan 0.000 0.471 211 I N -0.550 120.186 120.570 0.278 0.000 3.141 211 I HA 0.624 4.794 4.170 0.000 0.000 0.295 211 I C 0.329 176.433 176.117 -0.020 0.000 1.252 211 I CA 1.390 62.674 61.300 -0.026 0.000 1.406 211 I CB -0.381 37.575 38.000 -0.074 0.000 1.333 211 I HN 0.598 nan 8.210 nan 0.000 0.594 212 G N 3.781 112.550 108.800 -0.050 0.000 2.441 212 G HA2 0.506 4.466 3.960 0.000 0.000 0.294 212 G HA3 0.506 4.466 3.960 0.000 0.000 0.294 212 G C -1.327 173.581 174.900 0.013 0.000 1.393 212 G CA -0.288 44.802 45.100 -0.017 0.000 0.796 212 G HN 0.878 nan 8.290 nan 0.000 0.494 213 V N -1.095 118.859 119.914 0.067 0.000 2.406 213 V HA 0.596 4.716 4.120 0.000 0.000 0.272 213 V C 0.508 176.690 176.094 0.147 0.000 1.043 213 V CA -0.888 61.501 62.300 0.149 0.000 0.915 213 V CB 0.182 32.149 31.823 0.240 0.000 0.988 213 V HN 0.888 nan 8.190 nan 0.000 0.466 214 C N 4.514 123.880 119.300 0.111 0.000 2.651 214 C HA 1.032 5.492 4.460 0.000 0.000 0.416 214 C C -0.436 174.627 174.990 0.122 0.000 1.818 214 C CA -0.354 58.619 59.018 -0.074 0.000 1.790 214 C CB 1.373 29.113 27.740 -0.001 0.000 2.048 214 C HN 1.066 nan 8.230 nan 0.000 0.470 215 F N -0.682 119.432 119.950 0.273 0.000 2.648 215 F HA 0.406 4.933 4.527 0.000 0.000 0.312 215 F C -1.148 174.870 175.800 0.363 0.000 1.028 215 F CA -0.884 57.277 58.000 0.268 0.000 1.035 215 F CB -0.282 38.797 39.000 0.132 0.000 1.278 215 F HN 0.659 nan 8.300 nan 0.000 0.508 216 H N 2.473 121.650 119.070 0.177 0.000 2.538 216 H HA 0.527 5.083 4.556 0.000 0.000 0.353 216 H C -2.704 172.694 175.328 0.116 0.000 1.109 216 H CA -2.332 53.781 56.048 0.109 0.000 1.192 216 H CB 2.751 32.535 29.762 0.037 0.000 1.555 216 H HN 0.401 nan 8.280 nan 0.000 0.518 217 P HA 0.028 nan 4.420 nan 0.000 0.269 217 P C -0.332 177.017 177.300 0.082 0.000 1.209 217 P CA -0.075 63.099 63.100 0.123 0.000 0.776 217 P CB 1.520 33.277 31.700 0.095 0.000 0.876 230 S N 2.566 118.262 115.700 -0.008 0.000 2.294 230 S HA 0.254 4.724 4.470 0.000 0.000 0.203 230 S C 0.625 175.214 174.600 -0.018 0.000 1.022 230 S CA 0.865 59.055 58.200 -0.017 0.000 0.955 230 S CB -0.651 62.535 63.200 -0.023 0.000 0.943 230 S HN 0.693 nan 8.310 nan 0.000 0.472 231 I N 0.683 121.249 120.570 -0.008 0.000 8.633 231 I HA 0.033 4.203 4.170 0.000 0.000 0.126 231 I C 0.059 176.163 176.117 -0.022 0.000 1.860 231 I CA 0.287 61.592 61.300 0.009 0.000 2.037 231 I CB -1.221 36.786 38.000 0.011 0.000 3.867 231 I HN 0.765 nan 8.210 nan 0.000 0.169 232 G N 4.516 113.319 108.800 0.004 0.000 2.733 232 G HA2 0.817 4.777 3.960 0.000 0.000 0.288 232 G HA3 0.817 4.777 3.960 0.000 0.000 0.288 232 G C -1.505 173.434 174.900 0.065 0.000 1.373 232 G CA -0.697 44.371 45.100 -0.053 0.000 0.895 232 G HN 0.654 nan 8.290 nan 0.000 0.479 233 E N -0.190 120.038 120.200 0.048 0.000 2.227 233 E HA 0.610 4.960 4.350 0.000 0.000 0.268 233 E C -1.098 175.669 176.600 0.279 0.000 0.907 233 E CA -0.723 55.814 56.400 0.230 0.000 0.786 233 E CB 2.612 32.405 29.700 0.155 0.000 1.191 233 E HN 0.281 nan 8.360 nan 0.000 0.411 234 K N 0.928 121.520 120.400 0.321 0.000 2.571 234 K HA 0.140 4.460 4.320 0.000 0.000 0.252 234 K C -1.222 175.503 176.600 0.210 0.000 0.956 234 K CA -0.501 55.951 56.287 0.275 0.000 0.822 234 K CB 1.952 34.547 32.500 0.158 0.000 1.286 234 K HN 0.614 nan 8.250 nan 0.000 0.439 235 T N -0.150 114.519 114.554 0.193 0.000 3.416 235 T HA 0.002 4.352 4.350 0.000 0.000 0.247 235 T C 0.228 174.941 174.700 0.023 0.000 0.973 235 T CA -0.259 61.901 62.100 0.099 0.000 1.166 235 T CB -0.227 68.678 68.868 0.062 0.000 1.040 235 T HN 0.507 nan 8.240 nan 0.000 0.746 236 E N 2.231 122.442 120.200 0.018 0.000 2.299 236 E HA 0.457 4.807 4.350 0.000 0.000 0.272 236 E C 0.584 177.127 176.600 -0.095 0.000 1.043 236 E CA -0.657 55.729 56.400 -0.023 0.000 0.895 236 E CB 0.502 30.210 29.700 0.014 0.000 1.011 236 E HN 0.796 nan 8.360 nan 0.000 0.432 237 A N 3.756 126.450 122.820 -0.209 0.000 2.260 237 A HA 0.509 4.829 4.320 0.000 0.000 0.278 237 A C -0.071 177.371 177.584 -0.236 0.000 1.269 237 A CA -0.197 51.584 52.037 -0.426 0.000 0.824 237 A CB 0.741 19.124 19.000 -1.029 0.000 1.238 237 A HN 0.700 nan 8.150 nan 0.000 0.507 238 S N -3.149 112.433 115.700 -0.196 0.000 3.144 238 S HA 0.759 5.229 4.470 0.000 0.000 0.325 238 S C -0.356 174.495 174.600 0.417 0.000 1.161 238 S CA 0.267 58.550 58.200 0.139 0.000 0.920 238 S CB 1.145 64.451 63.200 0.175 0.000 1.340 238 S HN 1.568 nan 8.310 nan 0.000 0.681 239 L N -0.715 120.671 121.223 0.272 0.000 1.392 239 L HA 0.328 4.668 4.340 0.000 0.000 0.037 239 L C -1.649 175.303 176.870 0.138 0.000 1.731 239 L CA 0.467 55.404 54.840 0.161 0.000 0.980 239 L CB -0.766 41.269 42.059 -0.040 0.000 1.759 239 L HN 0.812 nan 8.230 nan 0.000 0.389 240 V N 1.414 121.358 119.914 0.049 0.000 4.436 240 V HA -0.168 3.952 4.120 0.000 0.000 0.401 240 V C -0.377 175.619 176.094 -0.163 0.000 0.653 240 V CA 1.026 63.282 62.300 -0.073 0.000 1.676 240 V CB -1.411 30.441 31.823 0.048 0.000 2.052 240 V HN 0.614 nan 8.190 nan 0.000 0.484 241 W N 4.636 125.684 121.300 -0.420 0.000 2.390 241 W HA 0.731 5.391 4.660 0.000 0.000 0.362 241 W C -0.265 175.873 176.519 -0.636 0.000 1.206 241 W CA -0.831 56.364 57.345 -0.250 0.000 1.355 241 W CB 1.705 31.229 29.460 0.106 0.000 1.278 241 W HN 0.451 nan 8.180 nan 0.000 0.653 242 F N 2.393 122.178 119.950 -0.275 0.000 2.794 242 F HA 0.118 4.645 4.527 -0.000 0.000 0.353 242 F C 0.462 176.312 175.800 0.083 0.000 1.371 242 F CA -0.408 57.534 58.000 -0.096 0.000 1.173 242 F CB 0.671 39.534 39.000 -0.228 0.000 1.693 242 F HN -0.076 nan 8.300 nan 0.000 0.606 243 T N 2.967 117.781 114.554 0.432 0.000 2.918 243 T HA 0.549 4.899 4.350 0.000 0.000 0.283 243 T C -2.660 172.236 174.700 0.328 0.000 1.001 243 T CA -2.057 60.319 62.100 0.461 0.000 1.041 243 T CB 1.365 70.599 68.868 0.609 0.000 1.028 243 T HN 0.141 nan 8.240 nan 0.000 0.511 244 P HA 0.415 nan 4.420 nan 0.000 0.290 244 P C -2.513 174.896 177.300 0.181 0.000 1.283 244 P CA -2.026 61.205 63.100 0.219 0.000 0.869 244 P CB 1.506 33.328 31.700 0.204 0.000 1.100 245 P HA -0.148 nan 4.420 nan 0.000 0.218 245 P C 1.720 179.056 177.300 0.060 0.000 1.146 245 P CA 1.366 64.518 63.100 0.087 0.000 0.813 245 P CB -0.119 31.624 31.700 0.071 0.000 0.778 246 R N -0.474 120.073 120.500 0.080 0.000 2.134 246 R HA -0.161 4.179 4.340 0.000 0.000 0.248 246 R C 0.287 176.584 176.300 -0.004 0.000 1.143 246 R CA 2.343 58.478 56.100 0.058 0.000 0.957 246 R CB -0.488 29.876 30.300 0.107 0.000 0.867 246 R HN 0.169 nan 8.270 nan 0.000 0.441 247 T N -1.495 113.061 114.554 0.003 0.000 3.684 247 T HA 0.054 4.404 4.350 0.000 0.000 0.317 247 T C 0.398 175.002 174.700 -0.161 0.000 0.922 247 T CA 0.112 62.049 62.100 -0.272 0.000 0.999 247 T CB 0.475 69.019 68.868 -0.540 0.000 1.204 247 T HN 0.204 nan 8.240 nan 0.000 0.534 248 S N 2.912 118.667 115.700 0.092 0.000 2.516 248 S HA -0.238 4.232 4.470 0.000 0.000 0.227 248 S C 2.110 176.805 174.600 0.158 0.000 1.221 248 S CA 1.670 59.992 58.200 0.203 0.000 1.780 248 S CB -0.515 62.784 63.200 0.166 0.000 0.988 248 S HN 0.544 nan 8.310 nan 0.000 0.380 249 N N 0.845 119.607 118.700 0.104 0.000 2.247 249 N HA -0.200 4.540 4.740 0.000 0.000 0.189 249 N C 1.891 177.425 175.510 0.040 0.000 1.009 249 N CA 1.771 54.873 53.050 0.086 0.000 0.872 249 N CB -0.708 37.812 38.487 0.057 0.000 0.980 249 N HN 0.548 nan 8.380 nan 0.000 0.436 250 Q N 0.300 120.061 119.800 -0.064 0.000 2.045 250 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 250 Q C 1.743 177.658 176.000 -0.141 0.000 0.991 250 Q CA 1.839 57.515 55.803 -0.212 0.000 0.851 250 Q CB -0.860 27.602 28.738 -0.460 0.000 0.911 250 Q HN 0.592 nan 8.270 nan 0.000 0.418 251 W N 0.347 121.664 121.300 0.028 0.000 2.519 251 W HA -0.061 4.599 4.660 -0.000 0.000 0.266 251 W C 2.096 178.624 176.519 0.014 0.000 1.253 251 W CA -0.404 56.933 57.345 -0.013 0.000 1.274 251 W CB -0.057 29.365 29.460 -0.064 0.000 1.114 251 W HN 0.170 nan 8.180 nan 0.000 0.596 252 L N 1.113 122.501 121.223 0.275 0.000 2.129 252 L HA -0.224 4.116 4.340 0.000 0.000 0.212 252 L C 1.412 178.401 176.870 0.199 0.000 1.087 252 L CA 2.140 57.118 54.840 0.229 0.000 0.757 252 L CB -1.002 41.148 42.059 0.152 0.000 0.896 252 L HN 0.082 nan 8.230 nan 0.000 0.434 253 D N -0.998 119.509 120.400 0.178 0.000 2.137 253 D HA -0.198 4.442 4.640 0.000 0.000 0.202 253 D C 1.959 178.398 176.300 0.230 0.000 0.970 253 D CA 0.973 55.067 54.000 0.157 0.000 0.837 253 D CB -0.191 40.675 40.800 0.109 0.000 0.981 253 D HN 0.351 nan 8.370 nan 0.000 0.475 254 F N 0.598 120.624 119.950 0.126 0.000 2.186 254 F HA -0.092 4.435 4.527 0.000 0.000 0.299 254 F C 2.071 177.960 175.800 0.148 0.000 1.090 254 F CA 1.005 59.069 58.000 0.107 0.000 1.307 254 F CB -0.737 38.318 39.000 0.092 0.000 1.019 254 F HN 0.005 nan 8.300 nan 0.000 0.489 255 W N -0.273 120.902 121.300 -0.209 0.000 2.350 255 W HA -0.231 4.429 4.660 0.000 0.000 0.289 255 W C 2.113 178.481 176.519 -0.251 0.000 1.215 255 W CA 0.578 57.677 57.345 -0.411 0.000 1.236 255 W CB -0.013 29.251 29.460 -0.327 0.000 1.130 255 W HN 0.158 nan 8.180 nan 0.000 0.541 256 L N 0.592 121.902 121.223 0.145 0.000 2.127 256 L HA 0.011 4.351 4.340 0.000 0.000 0.203 256 L C 2.525 179.432 176.870 0.062 0.000 1.080 256 L CA 1.758 56.642 54.840 0.073 0.000 0.768 256 L CB -1.157 40.938 42.059 0.059 0.000 0.924 256 L HN -0.138 nan 8.230 nan 0.000 0.444 257 R N -1.331 119.230 120.500 0.102 0.000 2.088 257 R HA -0.256 4.084 4.340 0.000 0.000 0.232 257 R C 2.563 178.897 176.300 0.057 0.000 1.136 257 R CA 1.893 58.078 56.100 0.142 0.000 0.926 257 R CB -0.887 29.621 30.300 0.347 0.000 0.837 257 R HN 0.563 nan 8.270 nan 0.000 0.429 258 H N 0.340 119.249 119.070 -0.269 0.000 2.352 258 H HA -0.171 4.385 4.556 -0.000 0.000 0.299 258 H C 2.158 177.407 175.328 -0.131 0.000 1.097 258 H CA 2.269 58.087 56.048 -0.384 0.000 1.311 258 H CB 0.029 29.087 29.762 -1.173 0.000 1.377 258 H HN 0.138 nan 8.280 nan 0.000 0.504 259 R N 0.454 120.969 120.500 0.026 0.000 2.127 259 R HA -0.166 4.174 4.340 0.000 0.000 0.228 259 R C 2.667 179.058 176.300 0.152 0.000 1.125 259 R CA 1.713 57.894 56.100 0.135 0.000 0.904 259 R CB -1.159 29.206 30.300 0.107 0.000 0.831 259 R HN 0.318 nan 8.270 nan 0.000 0.431 260 L N 1.351 122.610 121.223 0.059 0.000 2.085 260 L HA -0.322 4.018 4.340 0.000 0.000 0.218 260 L C 2.133 178.989 176.870 -0.024 0.000 1.080 260 L CA 2.040 56.889 54.840 0.015 0.000 0.776 260 L CB -0.730 41.334 42.059 0.007 0.000 0.891 260 L HN 0.429 nan 8.230 nan 0.000 0.437 261 Q N -2.392 117.368 119.800 -0.068 0.000 2.135 261 Q HA -0.284 4.056 4.340 0.000 0.000 0.204 261 Q C 2.002 177.869 176.000 -0.222 0.000 0.981 261 Q CA 2.134 57.847 55.803 -0.150 0.000 0.856 261 Q CB -0.490 28.131 28.738 -0.195 0.000 0.902 261 Q HN 0.722 nan 8.270 nan 0.000 0.425 262 W N 0.177 121.276 121.300 -0.334 0.000 2.408 262 W HA -0.141 4.519 4.660 -0.000 0.000 0.311 262 W C 1.229 177.463 176.519 -0.474 0.000 1.190 262 W CA 0.963 58.056 57.345 -0.421 0.000 1.321 262 W CB -0.560 28.691 29.460 -0.347 0.000 1.143 262 W HN 0.089 nan 8.180 nan 0.000 0.501 263 W N 0.782 121.685 121.300 -0.663 0.000 2.309 263 W HA -0.141 4.519 4.660 -0.000 0.000 0.326 263 W C 2.605 178.491 176.519 -1.053 0.000 1.222 263 W CA 2.303 59.108 57.345 -0.900 0.000 1.237 263 W CB -1.427 27.715 29.460 -0.530 0.000 1.180 263 W HN -0.253 nan 8.180 nan 0.000 0.456 264 R N 0.845 120.856 120.500 -0.816 0.000 2.294 264 R HA -0.231 4.109 4.340 0.000 0.000 0.250 264 R C 1.844 177.827 176.300 -0.529 0.000 1.181 264 R CA 1.581 57.164 56.100 -0.862 0.000 1.016 264 R CB -0.719 29.298 30.300 -0.471 0.000 0.869 264 R HN 0.294 nan 8.270 nan 0.000 0.476 265 K N 0.704 120.657 120.400 -0.746 0.000 2.442 265 K HA -0.118 4.202 4.320 0.000 0.000 0.199 265 K C -0.416 175.686 176.600 -0.829 0.000 1.044 265 K CA 0.875 56.641 56.287 -0.868 0.000 0.941 265 K CB 0.228 31.970 32.500 -1.263 0.000 0.759 265 K HN 0.096 nan 8.250 nan 0.000 0.472 266 F N 0.083 119.939 119.950 -0.155 0.000 2.566 266 F HA 0.423 4.950 4.527 0.000 0.000 0.347 266 F C -0.531 175.415 175.800 0.244 0.000 1.515 266 F CA -0.979 57.037 58.000 0.027 0.000 1.103 266 F CB 1.018 39.964 39.000 -0.090 0.000 1.385 266 F HN -0.146 nan 8.300 nan 0.000 0.560 267 A N 0.547 123.546 122.820 0.298 0.000 2.398 267 A HA 0.653 4.973 4.320 0.000 0.000 0.301 267 A C 0.576 178.320 177.584 0.267 0.000 1.041 267 A CA -0.532 51.705 52.037 0.333 0.000 0.711 267 A CB 1.305 20.558 19.000 0.422 0.000 1.240 267 A HN 0.441 nan 8.150 nan 0.000 0.420 268 M N 0.800 120.546 119.600 0.242 0.000 2.549 268 M HA -0.024 4.456 4.480 0.000 0.000 0.260 268 M C 0.071 176.451 176.300 0.134 0.000 1.076 268 M CA 1.098 56.496 55.300 0.163 0.000 1.090 268 M CB 0.019 32.698 32.600 0.132 0.000 1.418 268 M HN 0.567 nan 8.290 nan 0.000 0.486 269 S N -0.299 115.506 115.700 0.175 0.000 2.605 269 S HA 0.200 4.670 4.470 0.000 0.000 0.142 269 S C -1.949 172.787 174.600 0.227 0.000 1.452 269 S CA -0.818 57.464 58.200 0.137 0.000 1.240 269 S CB 0.689 63.926 63.200 0.062 0.000 1.538 269 S HN 0.147 nan 8.310 nan 0.000 0.394 270 P HA -0.027 nan 4.420 nan 0.000 0.231 270 P C 1.058 178.659 177.300 0.502 0.000 1.158 270 P CA 0.690 64.190 63.100 0.667 0.000 0.763 270 P CB 0.022 31.898 31.700 0.292 0.000 0.805 271 S N 0.740 116.544 115.700 0.173 0.000 2.400 271 S HA -0.094 4.376 4.470 0.000 0.000 0.232 271 S C 1.546 176.116 174.600 -0.051 0.000 1.025 271 S CA 0.936 59.174 58.200 0.063 0.000 0.993 271 S CB -0.923 62.281 63.200 0.006 0.000 0.808 271 S HN 0.297 nan 8.310 nan 0.000 0.478 272 N N 0.972 119.529 118.700 -0.239 0.000 2.680 272 N HA 0.036 4.776 4.740 0.000 0.000 0.197 272 N C -0.769 174.361 175.510 -0.634 0.000 1.288 272 N CA 0.592 53.344 53.050 -0.497 0.000 0.924 272 N CB -0.256 37.856 38.487 -0.625 0.000 1.025 272 N HN 0.346 nan 8.380 nan 0.000 0.447 273 F N -0.469 119.521 119.950 0.067 0.000 2.495 273 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 273 F C 0.619 176.433 175.800 0.024 0.000 1.103 273 F CA -0.617 57.416 58.000 0.056 0.000 0.949 273 F CB 1.768 40.787 39.000 0.032 0.000 1.142 273 F HN -0.327 nan 8.300 nan 0.000 0.457 274 S N 0.276 116.087 115.700 0.186 0.000 2.661 274 S HA 0.674 5.144 4.470 0.000 0.000 0.268 274 S C -1.334 173.337 174.600 0.119 0.000 1.162 274 S CA -0.964 57.306 58.200 0.117 0.000 0.817 274 S CB 1.882 65.125 63.200 0.071 0.000 1.141 274 S HN 0.612 nan 8.310 nan 0.000 0.477 275 S N 0.492 116.251 115.700 0.098 0.000 2.618 275 S HA 0.839 5.309 4.470 0.000 0.000 0.277 275 S C -1.505 173.163 174.600 0.113 0.000 1.138 275 S CA -0.216 58.047 58.200 0.105 0.000 0.844 275 S CB 1.646 64.859 63.200 0.022 0.000 1.127 275 S HN 1.149 nan 8.310 nan 0.000 0.474 276 S N 1.481 117.273 115.700 0.153 0.000 2.521 276 S HA 0.544 5.014 4.470 0.000 0.000 0.295 276 S C -1.413 173.200 174.600 0.022 0.000 1.098 276 S CA -0.641 57.616 58.200 0.094 0.000 0.999 276 S CB 1.439 64.719 63.200 0.134 0.000 1.034 276 S HN 0.710 nan 8.310 nan 0.000 0.483 277 D N 1.926 122.318 120.400 -0.013 0.000 2.277 277 D HA 0.569 5.209 4.640 0.000 0.000 0.249 277 D C -0.427 175.840 176.300 -0.055 0.000 1.134 277 D CA -0.040 53.930 54.000 -0.050 0.000 0.863 277 D CB 0.539 41.319 40.800 -0.033 0.000 1.143 277 D HN 0.778 nan 8.370 nan 0.000 0.458 278 C N 2.263 121.491 119.300 -0.119 0.000 3.044 278 C HA 0.632 5.092 4.460 0.000 0.000 0.315 278 C C -0.680 174.266 174.990 -0.074 0.000 1.320 278 C CA -0.975 57.993 59.018 -0.082 0.000 1.582 278 C CB 1.571 29.248 27.740 -0.105 0.000 2.039 278 C HN 0.520 nan 8.230 nan 0.000 0.466 279 Q N 0.709 120.573 119.800 0.107 0.000 2.356 279 Q HA 0.528 4.868 4.340 0.000 0.000 0.270 279 Q C -1.416 174.891 176.000 0.511 0.000 1.058 279 Q CA -0.388 55.563 55.803 0.247 0.000 0.802 279 Q CB 2.115 30.939 28.738 0.142 0.000 1.303 279 Q HN 0.852 nan 8.270 nan 0.000 0.444 280 D N 1.147 121.928 120.400 0.635 0.000 10.869 280 D HA -0.215 4.425 4.640 0.000 0.000 0.365 280 D C -0.087 175.986 176.300 -0.379 0.000 3.075 280 D CA 1.322 55.405 54.000 0.139 0.000 2.532 280 D CB 0.026 40.856 40.800 0.050 0.000 1.131 280 D HN 0.733 nan 8.370 nan 0.000 0.972 281 E N -1.034 118.876 120.200 -0.483 0.000 1.303 281 E HA -0.061 4.289 4.350 0.000 0.000 0.194 281 E C -0.016 176.306 176.600 -0.463 0.000 2.170 281 E CA -0.533 55.560 56.400 -0.512 0.000 1.267 281 E CB -0.484 28.739 29.700 -0.794 0.000 1.182 281 E HN 0.235 nan 8.360 nan 0.000 0.737 282 E N -0.058 119.837 120.200 -0.509 0.000 2.130 282 E HA -0.073 4.277 4.350 0.000 0.000 0.196 282 E C 0.768 177.116 176.600 -0.419 0.000 0.998 282 E CA 1.581 57.608 56.400 -0.622 0.000 0.806 282 E CB -0.617 28.488 29.700 -0.991 0.000 0.738 282 E HN 0.387 nan 8.360 nan 0.000 0.459 283 G N 0.352 108.934 108.800 -0.362 0.000 2.476 283 G HA2 0.329 4.289 3.960 0.000 0.000 0.286 283 G HA3 0.329 4.289 3.960 0.000 0.000 0.286 283 G C -0.470 174.357 174.900 -0.122 0.000 1.177 283 G CA -0.554 44.443 45.100 -0.172 0.000 0.870 283 G HN 0.007 nan 8.290 nan 0.000 0.528 284 R N 1.038 121.560 120.500 0.038 0.000 2.295 284 R HA 0.480 4.820 4.340 0.000 0.000 0.324 284 R C -0.260 176.187 176.300 0.244 0.000 0.968 284 R CA -0.563 55.604 56.100 0.111 0.000 0.837 284 R CB 0.356 30.693 30.300 0.062 0.000 1.133 284 R HN 0.739 nan 8.270 nan 0.000 0.450 285 K N 2.067 122.693 120.400 0.376 0.000 4.626 285 K HA -0.099 4.221 4.320 0.000 0.000 0.765 285 K C -1.788 174.956 176.600 0.241 0.000 2.276 285 K CA 0.486 56.943 56.287 0.283 0.000 1.754 285 K CB -0.911 31.675 32.500 0.143 0.000 3.096 285 K HN 0.931 nan 8.250 nan 0.000 0.130 286 G N 2.023 110.654 108.800 -0.281 0.000 2.606 286 G HA2 0.649 4.609 3.960 0.000 0.000 0.300 286 G HA3 0.649 4.609 3.960 0.000 0.000 0.300 286 G C -1.730 172.741 174.900 -0.714 0.000 1.360 286 G CA -0.640 43.841 45.100 -1.032 0.000 0.783 286 G HN 0.584 nan 8.290 nan 0.000 0.484 287 N N -0.508 117.733 118.700 -0.764 0.000 2.598 287 N HA 0.447 5.187 4.740 0.000 0.000 0.263 287 N C -1.334 173.947 175.510 -0.380 0.000 1.254 287 N CA -0.551 52.254 53.050 -0.408 0.000 0.863 287 N CB 2.599 40.942 38.487 -0.240 0.000 1.586 287 N HN 0.577 nan 8.380 nan 0.000 0.491 288 K N 0.499 120.761 120.400 -0.230 0.000 2.444 288 K HA 0.603 4.923 4.320 0.000 0.000 0.252 288 K C -0.885 175.418 176.600 -0.495 0.000 0.993 288 K CA -0.838 55.251 56.287 -0.330 0.000 0.847 288 K CB 1.936 34.288 32.500 -0.247 0.000 1.340 288 K HN 0.148 nan 8.250 nan 0.000 0.446 289 L N 1.232 121.979 121.223 -0.792 0.000 2.332 289 L HA 0.601 4.941 4.340 0.000 0.000 0.269 289 L C -0.806 175.360 176.870 -1.173 0.000 1.016 289 L CA -0.525 53.882 54.840 -0.720 0.000 0.809 289 L CB 0.622 42.364 42.059 -0.528 0.000 1.280 289 L HN 0.655 nan 8.230 nan 0.000 0.447 290 Y N -0.111 120.163 120.300 -0.044 0.000 2.641 290 Y HA 0.436 4.986 4.550 -0.000 0.000 0.333 290 Y C -1.057 174.895 175.900 0.086 0.000 1.174 290 Y CA -0.934 57.173 58.100 0.013 0.000 1.057 290 Y CB 1.776 40.234 38.460 -0.003 0.000 1.322 290 Y HN 0.424 nan 8.280 nan 0.000 0.457 291 Y N 0.859 121.238 120.300 0.132 0.000 2.524 291 Y HA 0.497 5.047 4.550 -0.000 0.000 0.347 291 Y C -0.785 175.166 175.900 0.083 0.000 1.005 291 Y CA -1.425 56.687 58.100 0.020 0.000 1.025 291 Y CB 1.608 40.101 38.460 0.056 0.000 1.275 291 Y HN 0.642 nan 8.280 nan 0.000 0.460 292 N N 5.076 123.128 118.700 -1.080 0.000 2.380 292 N HA -0.004 4.736 4.740 0.000 0.000 0.292 292 N C -1.603 173.397 175.510 -0.851 0.000 1.302 292 N CA 0.842 53.369 53.050 -0.873 0.000 1.007 292 N CB -0.581 37.435 38.487 -0.785 0.000 1.408 292 N HN 0.491 nan 8.380 nan 0.000 0.487 293 F N 3.798 123.505 119.950 -0.406 0.000 2.347 293 F HA 0.291 4.818 4.527 -0.000 0.000 0.366 293 F C -1.284 174.208 175.800 -0.513 0.000 1.107 293 F CA -1.801 56.082 58.000 -0.195 0.000 1.058 293 F CB 1.606 40.662 39.000 0.093 0.000 1.236 293 F HN 0.318 nan 8.300 nan 0.000 0.456 294 P HA -0.356 nan 4.420 nan 0.000 0.225 294 P C 0.856 177.930 177.300 -0.377 0.000 0.859 294 P CA 3.172 65.859 63.100 -0.689 0.000 1.075 294 P CB -0.365 30.716 31.700 -1.033 0.000 0.699 295 W N -1.096 120.278 121.300 0.122 0.000 2.848 295 W HA 0.417 5.077 4.660 0.000 0.000 0.241 295 W C 0.957 177.520 176.519 0.074 0.000 1.289 295 W CA 0.423 57.825 57.345 0.097 0.000 1.396 295 W CB -1.330 28.210 29.460 0.133 0.000 1.138 295 W HN 0.336 nan 8.180 nan 0.000 0.677 296 G N 1.004 109.907 108.800 0.172 0.000 2.733 296 G HA2 -0.055 3.905 3.960 0.000 0.000 0.686 296 G HA3 -0.055 3.905 3.960 0.000 0.000 0.686 296 G C -0.150 174.888 174.900 0.230 0.000 1.373 296 G CA -0.504 44.675 45.100 0.131 0.000 0.838 296 G HN 0.409 nan 8.290 nan 0.000 0.588 297 K N -0.431 120.038 120.400 0.115 0.000 1.158 297 K HA 0.017 4.337 4.320 0.000 0.000 0.761 297 K C 0.370 177.094 176.600 0.206 0.000 1.935 297 K CA 1.700 58.047 56.287 0.099 0.000 1.254 297 K CB -0.751 31.773 32.500 0.041 0.000 2.305 297 K HN 1.975 nan 8.250 nan 0.000 0.429 298 E N -1.544 118.788 120.200 0.220 0.000 7.399 298 E HA -0.082 4.268 4.350 0.000 0.000 0.460 298 E C -1.414 175.402 176.600 0.361 0.000 0.557 298 E CA 0.475 57.017 56.400 0.237 0.000 1.613 298 E CB -0.216 29.529 29.700 0.074 0.000 0.931 298 E HN 0.453 nan 8.360 nan 0.000 0.262 299 L N 4.008 125.341 121.223 0.183 0.000 2.399 299 L HA 0.650 4.990 4.340 0.000 0.000 0.265 299 L C 1.112 177.879 176.870 -0.172 0.000 1.089 299 L CA -0.199 54.514 54.840 -0.210 0.000 0.802 299 L CB 0.784 42.659 42.059 -0.307 0.000 1.180 299 L HN 0.743 nan 8.230 nan 0.000 0.454 300 I N -1.372 119.034 120.570 -0.273 0.000 4.607 300 I HA 0.469 4.639 4.170 0.000 0.000 0.324 300 I C 0.042 176.040 176.117 -0.200 0.000 1.279 300 I CA -0.272 60.911 61.300 -0.195 0.000 1.286 300 I CB 0.673 38.508 38.000 -0.275 0.000 1.265 300 I HN 0.628 nan 8.210 nan 0.000 0.446 301 E N 1.673 121.695 120.200 -0.295 0.000 2.390 301 E HA 0.485 4.835 4.350 0.000 0.000 0.277 301 E C -1.193 175.285 176.600 -0.203 0.000 0.939 301 E CA -0.592 55.693 56.400 -0.193 0.000 0.769 301 E CB 2.206 31.795 29.700 -0.185 0.000 1.251 301 E HN 0.273 nan 8.360 nan 0.000 0.450 302 T N 0.434 114.924 114.554 -0.105 0.000 2.887 302 T HA 0.690 5.040 4.350 0.000 0.000 0.288 302 T C -0.910 173.738 174.700 -0.086 0.000 1.021 302 T CA -0.799 61.236 62.100 -0.110 0.000 1.000 302 T CB 1.026 69.903 68.868 0.014 0.000 1.034 302 T HN 0.211 nan 8.240 nan 0.000 0.467 303 L N 2.352 123.467 121.223 -0.180 0.000 2.514 303 L HA 0.487 4.827 4.340 0.000 0.000 0.257 303 L C -0.806 175.958 176.870 -0.176 0.000 1.101 303 L CA -0.471 54.292 54.840 -0.128 0.000 0.911 303 L CB 0.546 42.527 42.059 -0.130 0.000 1.162 303 L HN 0.776 nan 8.230 nan 0.000 0.477 304 W N 1.173 122.459 121.300 -0.024 0.000 2.181 304 W HA 0.519 5.179 4.660 0.000 0.000 0.415 304 W C 0.876 177.393 176.519 -0.002 0.000 1.689 304 W CA -0.164 57.174 57.345 -0.011 0.000 1.859 304 W CB 0.693 30.143 29.460 -0.016 0.000 1.425 304 W HN 0.312 nan 8.180 nan 0.000 0.713 305 N N 1.169 120.111 118.700 0.403 0.000 2.710 305 N HA 0.135 4.875 4.740 0.000 0.000 0.244 305 N C -0.284 175.344 175.510 0.197 0.000 1.321 305 N CA -0.057 53.129 53.050 0.227 0.000 0.758 305 N CB 0.274 38.869 38.487 0.181 0.000 1.284 305 N HN 0.417 nan 8.380 nan 0.000 0.530 306 L N 0.879 122.176 121.223 0.124 0.000 2.622 306 L HA 0.179 4.519 4.340 0.000 0.000 0.233 306 L C 1.703 178.605 176.870 0.052 0.000 1.156 306 L CA 0.626 55.494 54.840 0.047 0.000 0.866 306 L CB -0.892 41.170 42.059 0.006 0.000 0.980 306 L HN 0.614 nan 8.230 nan 0.000 0.448 307 G N 0.944 109.784 108.800 0.067 0.000 2.611 307 G HA2 -0.373 3.587 3.960 0.000 0.000 0.301 307 G HA3 -0.373 3.587 3.960 0.000 0.000 0.301 307 G C 0.487 175.418 174.900 0.052 0.000 1.233 307 G CA 0.473 45.611 45.100 0.062 0.000 0.993 307 G HN 0.250 nan 8.290 nan 0.000 0.553 308 D N 0.548 120.981 120.400 0.055 0.000 2.083 308 D HA -0.051 4.589 4.640 0.000 0.000 0.199 308 D C 1.355 177.681 176.300 0.044 0.000 0.980 308 D CA 1.120 55.148 54.000 0.046 0.000 0.851 308 D CB -0.831 39.999 40.800 0.050 0.000 0.997 308 D HN 0.598 nan 8.370 nan 0.000 0.449 309 H N 2.346 121.393 119.070 -0.039 0.000 3.156 309 H HA -0.222 4.334 4.556 0.000 0.000 0.306 309 H C 0.039 175.316 175.328 -0.084 0.000 0.985 309 H CA 1.642 57.634 56.048 -0.093 0.000 1.284 309 H CB 0.162 29.833 29.762 -0.151 0.000 1.141 309 H HN 0.394 nan 8.280 nan 0.000 0.608 310 E N 2.060 121.694 120.200 -0.944 0.000 2.273 310 E HA -0.234 4.116 4.350 0.000 0.000 0.177 310 E C -0.088 176.451 176.600 -0.103 0.000 1.511 310 E CA 0.939 57.080 56.400 -0.432 0.000 0.675 310 E CB -1.426 28.127 29.700 -0.246 0.000 1.094 310 E HN 0.651 nan 8.360 nan 0.000 0.348 311 L N -0.544 120.665 121.223 -0.024 0.000 1.344 311 L HA 0.009 4.349 4.340 0.000 0.000 0.054 311 L C 0.676 177.594 176.870 0.081 0.000 1.599 311 L CA -0.128 54.737 54.840 0.042 0.000 1.066 311 L CB -0.564 41.507 42.059 0.019 0.000 2.082 311 L HN 0.184 nan 8.230 nan 0.000 0.423 312 L N 1.184 122.443 121.223 0.060 0.000 2.042 312 L HA -0.207 4.133 4.340 0.000 0.000 0.210 312 L C 2.290 179.202 176.870 0.069 0.000 1.076 312 L CA 2.544 57.428 54.840 0.075 0.000 0.749 312 L CB -1.266 40.827 42.059 0.057 0.000 0.893 312 L HN 0.572 nan 8.230 nan 0.000 0.432 313 H N -0.409 118.613 119.070 -0.080 0.000 2.257 313 H HA -0.213 4.343 4.556 0.000 0.000 0.292 313 H C 2.069 177.339 175.328 -0.096 0.000 1.075 313 H CA 2.380 58.351 56.048 -0.129 0.000 1.212 313 H CB -0.078 29.503 29.762 -0.301 0.000 1.354 313 H HN 0.157 nan 8.280 nan 0.000 0.497 314 M N -0.892 118.666 119.600 -0.070 0.000 2.938 314 M HA -0.134 4.346 4.480 0.000 0.000 0.282 314 M C 0.487 176.743 176.300 -0.073 0.000 1.122 314 M CA 0.993 56.207 55.300 -0.143 0.000 1.069 314 M CB -0.873 31.663 32.600 -0.106 0.000 1.140 314 M HN 0.126 nan 8.290 nan 0.000 0.549 315 Y N 2.731 123.026 120.300 -0.008 0.000 2.881 315 Y HA -0.035 4.515 4.550 0.000 0.000 0.335 315 Y C -1.528 174.376 175.900 0.006 0.000 1.263 315 Y CA -1.743 56.370 58.100 0.021 0.000 1.572 315 Y CB -0.926 37.578 38.460 0.073 0.000 1.237 315 Y HN 0.197 nan 8.280 nan 0.000 0.568 316 P HA -0.115 nan 4.420 nan 0.000 0.275 316 P C 0.250 177.616 177.300 0.110 0.000 1.271 316 P CA 0.374 63.544 63.100 0.117 0.000 0.861 316 P CB 0.555 32.323 31.700 0.113 0.000 1.071 317 G N -0.223 108.620 108.800 0.071 0.000 4.198 317 G HA2 0.117 4.077 3.960 0.000 0.000 0.282 317 G HA3 0.117 4.077 3.960 0.000 0.000 0.282 317 G C 0.256 175.192 174.900 0.060 0.000 1.262 317 G CA -0.359 44.780 45.100 0.064 0.000 1.473 317 G HN 0.482 nan 8.290 nan 0.000 0.624 318 N N 0.846 119.587 118.700 0.068 0.000 2.546 318 N HA 0.068 4.808 4.740 0.000 0.000 0.286 318 N C 1.848 177.405 175.510 0.078 0.000 1.259 318 N CA -0.451 52.636 53.050 0.060 0.000 0.939 318 N CB 1.280 39.799 38.487 0.052 0.000 1.243 318 N HN 0.141 nan 8.380 nan 0.000 0.511 319 V N 0.303 120.267 119.914 0.084 0.000 2.310 319 V HA -0.453 3.667 4.120 0.000 0.000 0.263 319 V C 1.889 178.072 176.094 0.149 0.000 1.108 319 V CA 2.400 64.763 62.300 0.105 0.000 1.104 319 V CB -0.508 31.369 31.823 0.090 0.000 0.736 319 V HN 0.475 nan 8.190 nan 0.000 0.456 320 S N -1.048 114.723 115.700 0.119 0.000 2.413 320 S HA -0.314 4.156 4.470 0.000 0.000 0.237 320 S C 1.868 176.624 174.600 0.259 0.000 1.044 320 S CA 2.178 60.446 58.200 0.114 0.000 1.024 320 S CB -0.458 62.762 63.200 0.032 0.000 0.829 320 S HN 0.824 nan 8.310 nan 0.000 0.475 321 K N 0.787 121.321 120.400 0.223 0.000 2.116 321 K HA 0.070 4.390 4.320 0.000 0.000 0.203 321 K C 1.923 178.589 176.600 0.111 0.000 1.052 321 K CA 0.733 57.144 56.287 0.206 0.000 0.952 321 K CB -0.097 32.429 32.500 0.043 0.000 0.729 321 K HN 0.325 nan 8.250 nan 0.000 0.446 322 L N 0.478 121.738 121.223 0.062 0.000 2.068 322 L HA -0.075 4.265 4.340 0.000 0.000 0.204 322 L C 1.101 177.775 176.870 -0.327 0.000 1.076 322 L CA 1.167 56.007 54.840 -0.001 0.000 0.753 322 L CB -1.142 41.098 42.059 0.301 0.000 0.910 322 L HN 0.443 nan 8.230 nan 0.000 0.439 323 H N -0.288 118.847 119.070 0.108 0.000 2.308 323 H HA -0.178 4.378 4.556 -0.000 0.000 0.340 323 H C 0.814 176.196 175.328 0.091 0.000 0.915 323 H CA 0.085 56.182 56.048 0.081 0.000 1.127 323 H CB -2.339 27.441 29.762 0.029 0.000 1.499 323 H HN 0.326 nan 8.280 nan 0.000 0.365 324 G N 1.195 109.917 108.800 -0.131 0.000 2.101 324 G HA2 -0.050 3.910 3.960 0.000 0.000 0.262 324 G HA3 -0.050 3.910 3.960 0.000 0.000 0.262 324 G C 0.001 174.948 174.900 0.079 0.000 1.041 324 G CA -0.317 44.753 45.100 -0.051 0.000 1.002 324 G HN 0.693 nan 8.290 nan 0.000 0.403 325 R N 3.105 123.664 120.500 0.098 0.000 2.210 325 R HA 0.190 4.530 4.340 0.000 0.000 0.338 325 R C -0.157 176.204 176.300 0.102 0.000 1.062 325 R CA -0.670 55.503 56.100 0.121 0.000 0.902 325 R CB 1.124 31.505 30.300 0.135 0.000 1.050 325 R HN 0.530 nan 8.270 nan 0.000 0.461 326 D N 1.647 122.112 120.400 0.108 0.000 2.348 326 D HA 0.113 4.753 4.640 0.000 0.000 0.249 326 D C 0.865 177.217 176.300 0.085 0.000 1.110 326 D CA 0.222 54.286 54.000 0.106 0.000 0.967 326 D CB 1.125 41.995 40.800 0.118 0.000 1.139 326 D HN 0.693 nan 8.370 nan 0.000 0.466 327 G N 2.207 111.054 108.800 0.078 0.000 2.421 327 G HA2 -0.347 3.613 3.960 0.000 0.000 0.300 327 G HA3 -0.347 3.613 3.960 0.000 0.000 0.300 327 G C 0.734 175.666 174.900 0.054 0.000 0.974 327 G CA 1.224 46.361 45.100 0.062 0.000 1.062 327 G HN 0.726 nan 8.290 nan 0.000 0.514 328 R N -2.231 118.302 120.500 0.054 0.000 4.024 328 R HA -0.221 4.119 4.340 0.000 0.000 0.372 328 R C 0.567 176.895 176.300 0.048 0.000 1.192 328 R CA 2.174 58.301 56.100 0.046 0.000 1.183 328 R CB -1.550 28.769 30.300 0.032 0.000 1.672 328 R HN 0.675 nan 8.270 nan 0.000 0.571 329 K N 1.070 121.505 120.400 0.058 0.000 2.705 329 K HA 0.230 4.550 4.320 0.000 0.000 0.238 329 K C -0.954 175.693 176.600 0.079 0.000 0.996 329 K CA -0.241 56.080 56.287 0.057 0.000 1.007 329 K CB 1.035 33.557 32.500 0.038 0.000 1.206 329 K HN 0.305 nan 8.250 nan 0.000 0.488 330 N N 0.644 119.413 118.700 0.114 0.000 5.358 330 N HA -0.242 4.498 4.740 0.000 0.000 0.365 330 N C -0.661 174.930 175.510 0.136 0.000 1.010 330 N CA 0.773 53.922 53.050 0.165 0.000 2.672 330 N CB -0.172 38.407 38.487 0.154 0.000 0.537 330 N HN 0.427 nan 8.380 nan 0.000 0.770 331 V N -1.813 118.191 119.914 0.149 0.000 2.731 331 V HA 0.392 4.512 4.120 0.000 0.000 0.275 331 V C -1.650 174.529 176.094 0.141 0.000 1.859 331 V CA -0.295 62.082 62.300 0.128 0.000 0.858 331 V CB 0.992 32.885 31.823 0.117 0.000 1.365 331 V HN 1.304 nan 8.190 nan 0.000 0.394 332 V N 5.315 125.300 119.914 0.119 0.000 2.939 332 V HA 0.361 4.481 4.120 0.000 0.000 0.320 332 V C -2.066 174.059 176.094 0.051 0.000 1.101 332 V CA -0.278 62.080 62.300 0.096 0.000 1.345 332 V CB 0.950 32.824 31.823 0.085 0.000 1.079 332 V HN 0.868 nan 8.190 nan 0.000 0.549 333 P HA 0.258 nan 4.420 nan 0.000 0.276 333 P C 0.438 177.782 177.300 0.073 0.000 1.261 333 P CA -0.222 62.929 63.100 0.085 0.000 0.800 333 P CB 0.977 32.751 31.700 0.123 0.000 1.066 334 C N -0.140 119.208 119.300 0.080 0.000 2.431 334 C HA 0.152 4.612 4.460 0.000 0.000 0.397 334 C C 1.173 176.191 174.990 0.048 0.000 1.436 334 C CA -1.124 57.935 59.018 0.068 0.000 1.596 334 C CB -1.586 26.205 27.740 0.085 0.000 2.550 334 C HN 0.476 nan 8.230 nan 0.000 0.596 335 V N 5.357 125.266 119.914 -0.008 0.000 3.214 335 V HA 0.671 4.791 4.120 0.000 0.000 0.306 335 V C -0.027 176.018 176.094 -0.082 0.000 1.078 335 V CA -0.724 61.500 62.300 -0.126 0.000 1.077 335 V CB 1.542 33.303 31.823 -0.104 0.000 1.121 335 V HN 0.975 nan 8.190 nan 0.000 0.468 336 L N 2.932 124.048 121.223 -0.178 0.000 2.455 336 L HA 0.552 4.892 4.340 0.000 0.000 0.264 336 L C -0.793 176.048 176.870 -0.048 0.000 0.968 336 L CA -0.294 54.516 54.840 -0.050 0.000 0.827 336 L CB 2.273 44.343 42.059 0.018 0.000 1.317 336 L HN 0.713 nan 8.230 nan 0.000 0.407 337 S N 3.547 119.270 115.700 0.038 0.000 2.601 337 S HA 0.495 4.965 4.470 0.000 0.000 0.312 337 S C -0.747 173.878 174.600 0.042 0.000 1.107 337 S CA -0.441 57.795 58.200 0.060 0.000 1.129 337 S CB 0.844 64.131 63.200 0.144 0.000 0.982 337 S HN 0.336 nan 8.310 nan 0.000 0.469 338 V N 6.185 126.102 119.914 0.004 0.000 2.435 338 V HA 0.309 4.429 4.120 0.000 0.000 0.263 338 V C 0.034 176.170 176.094 0.070 0.000 1.087 338 V CA -0.656 61.641 62.300 -0.004 0.000 1.253 338 V CB -0.387 31.364 31.823 -0.119 0.000 1.462 338 V HN 0.843 nan 8.190 nan 0.000 0.547 339 N N 2.535 121.267 118.700 0.053 0.000 2.439 339 N HA 0.407 5.147 4.740 0.000 0.000 0.243 339 N C 0.502 176.024 175.510 0.019 0.000 1.088 339 N CA -0.169 52.900 53.050 0.032 0.000 0.940 339 N CB 1.446 39.956 38.487 0.040 0.000 1.180 339 N HN 0.637 nan 8.380 nan 0.000 0.505 340 G N 0.973 109.772 108.800 -0.003 0.000 2.348 340 G HA2 0.049 4.009 3.960 0.000 0.000 0.312 340 G HA3 0.049 4.009 3.960 0.000 0.000 0.312 340 G C -0.664 174.235 174.900 -0.002 0.000 1.126 340 G CA -0.397 44.740 45.100 0.061 0.000 0.865 340 G HN 0.411 nan 8.290 nan 0.000 0.474 341 D N 2.305 122.744 120.400 0.064 0.000 2.313 341 D HA 0.186 4.826 4.640 0.000 0.000 0.239 341 D C 1.214 177.594 176.300 0.134 0.000 1.142 341 D CA -0.405 53.628 54.000 0.054 0.000 0.847 341 D CB 1.449 42.267 40.800 0.030 0.000 1.082 341 D HN 0.154 nan 8.370 nan 0.000 0.480 342 L N 2.989 124.243 121.223 0.052 0.000 2.168 342 L HA 0.016 4.356 4.340 0.000 0.000 0.203 342 L C 1.804 178.693 176.870 0.031 0.000 1.078 342 L CA 0.246 55.116 54.840 0.050 0.000 0.780 342 L CB -0.160 41.863 42.059 -0.060 0.000 0.939 342 L HN 0.307 nan 8.230 nan 0.000 0.451 343 D N 0.253 120.665 120.400 0.020 0.000 2.127 343 D HA -0.245 4.395 4.640 0.000 0.000 0.190 343 D C 2.302 178.639 176.300 0.063 0.000 1.000 343 D CA 1.495 55.506 54.000 0.019 0.000 0.839 343 D CB -0.006 40.930 40.800 0.226 0.000 0.955 343 D HN 0.086 nan 8.370 nan 0.000 0.446 344 R N -0.277 120.287 120.500 0.107 0.000 2.057 344 R HA -0.023 4.317 4.340 0.000 0.000 0.229 344 R C 2.353 178.730 176.300 0.127 0.000 1.136 344 R CA 1.322 57.483 56.100 0.101 0.000 0.952 344 R CB -0.594 29.738 30.300 0.053 0.000 0.848 344 R HN 0.224 nan 8.270 nan 0.000 0.430 345 G N 1.502 110.412 108.800 0.182 0.000 2.549 345 G HA2 -0.311 3.649 3.960 0.000 0.000 0.222 345 G HA3 -0.311 3.649 3.960 0.000 0.000 0.222 345 G C 1.308 176.388 174.900 0.300 0.000 1.100 345 G CA 0.798 46.090 45.100 0.320 0.000 0.739 345 G HN 0.263 nan 8.290 nan 0.000 0.577 346 M N 0.326 120.036 119.600 0.182 0.000 2.081 346 M HA 0.071 4.551 4.480 0.000 0.000 0.261 346 M C 2.548 178.970 176.300 0.204 0.000 1.075 346 M CA 1.289 56.683 55.300 0.156 0.000 1.133 346 M CB -0.788 31.809 32.600 -0.003 0.000 1.330 346 M HN 0.258 nan 8.290 nan 0.000 0.414 347 L N 0.462 121.797 121.223 0.186 0.000 2.189 347 L HA -0.205 4.135 4.340 0.000 0.000 0.214 347 L C 2.665 179.571 176.870 0.059 0.000 1.097 347 L CA 1.035 55.969 54.840 0.157 0.000 0.764 347 L CB -1.408 40.798 42.059 0.245 0.000 0.900 347 L HN 0.371 nan 8.230 nan 0.000 0.436 348 A N 0.001 122.927 122.820 0.177 0.000 1.829 348 A HA -0.259 4.061 4.320 0.000 0.000 0.216 348 A C 2.046 179.482 177.584 -0.246 0.000 1.207 348 A CA 1.644 53.659 52.037 -0.037 0.000 0.622 348 A CB -1.186 17.756 19.000 -0.098 0.000 0.846 348 A HN 0.316 nan 8.150 nan 0.000 0.447 349 Y N -0.228 120.013 120.300 -0.098 0.000 2.298 349 Y HA -0.193 4.357 4.550 -0.000 0.000 0.287 349 Y C 2.195 178.122 175.900 0.045 0.000 1.164 349 Y CA 1.500 59.597 58.100 -0.005 0.000 1.229 349 Y CB -0.354 38.141 38.460 0.058 0.000 0.977 349 Y HN 0.382 nan 8.280 nan 0.000 0.538 350 L N -1.392 119.948 121.223 0.196 0.000 2.353 350 L HA -0.270 4.070 4.340 0.000 0.000 0.220 350 L C 1.464 178.460 176.870 0.211 0.000 1.133 350 L CA 1.228 56.148 54.840 0.134 0.000 0.798 350 L CB -0.245 41.858 42.059 0.072 0.000 0.922 350 L HN 0.210 nan 8.230 nan 0.000 0.445 351 Y N -1.025 119.286 120.300 0.019 0.000 2.503 351 Y HA -0.017 4.533 4.550 0.000 0.000 0.277 351 Y C 1.834 177.783 175.900 0.081 0.000 1.102 351 Y CA 0.461 58.562 58.100 0.001 0.000 1.261 351 Y CB -0.452 37.996 38.460 -0.020 0.000 1.096 351 Y HN 0.354 nan 8.280 nan 0.000 0.546 352 D N -0.778 119.790 120.400 0.279 0.000 2.348 352 D HA -0.057 4.583 4.640 0.000 0.000 0.248 352 D C 1.745 178.150 176.300 0.175 0.000 1.142 352 D CA 0.605 54.736 54.000 0.218 0.000 0.904 352 D CB 0.257 41.183 40.800 0.211 0.000 0.901 352 D HN 0.004 nan 8.370 nan 0.000 0.523 353 S N -1.083 114.721 115.700 0.174 0.000 2.438 353 S HA 0.186 4.656 4.470 0.000 0.000 0.220 353 S C 0.157 174.859 174.600 0.171 0.000 1.045 353 S CA -0.338 57.956 58.200 0.156 0.000 0.940 353 S CB -0.022 63.262 63.200 0.140 0.000 0.863 353 S HN 0.297 nan 8.310 nan 0.000 0.539 354 F N 2.323 122.250 119.950 -0.037 0.000 2.509 354 F HA 0.539 5.066 4.527 0.000 0.000 0.334 354 F C 0.488 176.226 175.800 -0.103 0.000 1.060 354 F CA -1.226 56.729 58.000 -0.076 0.000 0.997 354 F CB 0.508 39.450 39.000 -0.097 0.000 1.271 354 F HN 0.056 nan 8.300 nan 0.000 0.488 370 K N 1.883 122.163 120.400 -0.201 0.000 2.250 370 K HA 0.242 4.562 4.320 0.000 0.000 0.285 370 K C 0.538 176.969 176.600 -0.282 0.000 1.097 370 K CA -0.257 55.891 56.287 -0.233 0.000 0.913 370 K CB 1.650 34.006 32.500 -0.240 0.000 1.179 370 K HN 0.019 nan 8.250 nan 0.000 0.462 371 V N 3.460 123.248 119.914 -0.210 0.000 3.336 371 V HA 0.444 4.564 4.120 0.000 0.000 0.304 371 V C 0.189 176.216 176.094 -0.113 0.000 1.073 371 V CA -0.648 61.580 62.300 -0.122 0.000 1.074 371 V CB 0.879 32.741 31.823 0.065 0.000 1.161 371 V HN 0.746 nan 8.190 nan 0.000 0.460 372 L N 1.152 122.392 121.223 0.028 0.000 3.089 372 L HA 0.466 4.806 4.340 0.000 0.000 0.235 372 L C -1.173 175.732 176.870 0.059 0.000 0.991 372 L CA -0.257 54.644 54.840 0.101 0.000 1.052 372 L CB 1.369 43.405 42.059 -0.038 0.000 1.489 372 L HN 0.733 nan 8.230 nan 0.000 0.414 373 K N 2.454 122.906 120.400 0.086 0.000 2.522 373 K HA 0.888 5.208 4.320 0.000 0.000 0.275 373 K C -1.815 174.839 176.600 0.089 0.000 1.006 373 K CA -0.538 55.783 56.287 0.056 0.000 0.890 373 K CB 1.807 34.337 32.500 0.049 0.000 1.475 373 K HN 0.703 nan 8.250 nan 0.000 0.441 374 L N -0.382 120.902 121.223 0.102 0.000 2.656 374 L HA 0.469 4.809 4.340 0.000 0.000 0.266 374 L C -1.627 175.398 176.870 0.258 0.000 0.859 374 L CA -0.850 54.091 54.840 0.168 0.000 1.131 374 L CB 1.735 43.878 42.059 0.140 0.000 1.627 374 L HN 0.932 nan 8.230 nan 0.000 0.351 375 H N -0.924 118.201 119.070 0.091 0.000 2.854 375 H HA 0.140 4.696 4.556 0.000 0.000 0.234 375 H C -2.856 172.482 175.328 0.016 0.000 1.302 375 H CA -0.214 55.880 56.048 0.076 0.000 1.522 375 H CB 0.631 30.474 29.762 0.134 0.000 1.778 375 H HN 0.249 nan 8.280 nan 0.000 0.443 376 P HA 0.150 nan 4.420 nan 0.000 0.229 376 P C 1.288 178.274 177.300 -0.524 0.000 1.166 376 P CA 1.565 63.928 63.100 -1.227 0.000 0.761 376 P CB -0.235 30.584 31.700 -1.469 0.000 1.485 377 C N -0.324 118.674 119.300 -0.504 0.000 2.403 377 C HA -0.052 4.408 4.460 0.000 0.000 0.282 377 C C 2.646 177.506 174.990 -0.216 0.000 1.297 377 C CA 0.449 59.301 59.018 -0.276 0.000 1.785 377 C CB -2.437 25.136 27.740 -0.278 0.000 1.963 377 C HN 0.088 nan 8.230 nan 0.000 0.507 378 L N 2.283 123.325 121.223 -0.302 0.000 2.056 378 L HA 0.097 4.437 4.340 0.000 0.000 0.207 378 L C 3.041 179.834 176.870 -0.129 0.000 1.078 378 L CA 2.153 56.865 54.840 -0.214 0.000 0.749 378 L CB -1.602 40.285 42.059 -0.287 0.000 0.901 378 L HN 0.392 nan 8.230 nan 0.000 0.433 379 A N -0.283 122.464 122.820 -0.121 0.000 1.969 379 A HA -0.027 4.293 4.320 0.000 0.000 0.218 379 A C -0.075 177.513 177.584 0.007 0.000 1.169 379 A CA 1.223 53.235 52.037 -0.041 0.000 0.635 379 A CB -1.647 17.344 19.000 -0.014 0.000 0.810 379 A HN 0.340 nan 8.150 nan 0.000 0.445 380 P HA -0.017 nan 4.420 nan 0.000 0.215 380 P C 0.391 177.718 177.300 0.044 0.000 1.157 380 P CA 0.730 63.874 63.100 0.072 0.000 0.856 380 P CB -0.041 31.710 31.700 0.085 0.000 0.786 381 I N 0.236 120.810 120.570 0.007 0.000 2.270 381 I HA 0.081 4.251 4.170 0.000 0.000 0.300 381 I C 0.820 176.934 176.117 -0.005 0.000 1.186 381 I CA -0.802 60.500 61.300 0.004 0.000 1.431 381 I CB -0.585 37.408 38.000 -0.012 0.000 1.485 381 I HN -0.100 nan 8.210 nan 0.000 0.650 382 K N 4.118 124.533 120.400 0.025 0.000 2.552 382 K HA 0.092 4.412 4.320 0.000 0.000 0.276 382 K C -0.788 175.840 176.600 0.046 0.000 0.960 382 K CA 0.623 56.937 56.287 0.044 0.000 0.961 382 K CB 0.507 33.052 32.500 0.075 0.000 0.902 382 K HN 0.323 nan 8.250 nan 0.000 0.515 383 V N 1.631 121.579 119.914 0.056 0.000 2.775 383 V HA 0.690 4.810 4.120 0.000 0.000 0.295 383 V C -1.012 175.097 176.094 0.026 0.000 1.226 383 V CA -0.071 62.243 62.300 0.024 0.000 0.934 383 V CB 0.821 32.627 31.823 -0.028 0.000 1.056 383 V HN 1.111 nan 8.190 nan 0.000 0.436 384 A N 3.181 126.014 122.820 0.022 0.000 2.349 384 A HA 0.615 4.935 4.320 0.000 0.000 0.295 384 A C 0.364 178.005 177.584 0.096 0.000 0.941 384 A CA 0.369 52.401 52.037 -0.008 0.000 0.525 384 A CB -0.714 18.302 19.000 0.028 0.000 1.555 384 A HN 2.343 nan 8.150 nan 0.000 0.609 385 L N -2.312 118.908 121.223 -0.005 0.000 3.410 385 L HA -0.370 3.970 4.340 0.000 0.000 0.323 385 L C 0.212 177.104 176.870 0.038 0.000 4.448 385 L CA 4.327 59.177 54.840 0.016 0.000 0.408 385 L CB -1.444 40.673 42.059 0.097 0.000 3.544 385 L HN 2.470 nan 8.230 nan 0.000 0.555 386 D N -1.422 119.030 120.400 0.086 0.000 3.831 386 D HA 0.609 5.249 4.640 0.000 0.000 0.327 386 D C -0.388 175.922 176.300 0.017 0.000 1.505 386 D CA 0.497 54.537 54.000 0.066 0.000 0.976 386 D CB 1.030 41.870 40.800 0.067 0.000 1.421 386 D HN 1.131 nan 8.370 nan 0.000 0.624 387 V N -3.086 116.838 119.914 0.017 0.000 3.000 387 V HA 0.892 5.012 4.120 0.000 0.000 0.300 387 V C -0.241 175.879 176.094 0.043 0.000 1.251 387 V CA -0.242 62.063 62.300 0.008 0.000 0.972 387 V CB 1.267 33.111 31.823 0.034 0.000 1.065 387 V HN 1.037 nan 8.190 nan 0.000 0.431 388 G N 2.162 111.007 108.800 0.076 0.000 2.417 388 G HA2 0.757 4.717 3.960 0.000 0.000 0.334 388 G HA3 0.757 4.717 3.960 0.000 0.000 0.334 388 G C -1.045 173.901 174.900 0.077 0.000 1.150 388 G CA -0.899 44.243 45.100 0.071 0.000 0.923 388 G HN 0.819 nan 8.290 nan 0.000 0.485 389 R N 0.652 121.189 120.500 0.062 0.000 2.514 389 R HA 0.648 4.988 4.340 0.000 0.000 0.296 389 R C -0.071 176.260 176.300 0.050 0.000 1.012 389 R CA -0.074 56.062 56.100 0.060 0.000 0.897 389 R CB 1.242 31.580 30.300 0.063 0.000 1.184 389 R HN 0.844 nan 8.270 nan 0.000 0.440 390 G N 4.686 113.511 108.800 0.042 0.000 3.535 390 G HA2 0.373 4.333 3.960 0.000 0.000 0.169 390 G HA3 0.373 4.333 3.960 0.000 0.000 0.169 390 G C -2.673 172.243 174.900 0.026 0.000 1.241 390 G CA -0.218 44.903 45.100 0.033 0.000 1.334 390 G HN 0.463 nan 8.290 nan 0.000 0.717 391 P HA 0.240 nan 4.420 nan 0.000 0.277 391 P C 0.173 177.480 177.300 0.012 0.000 1.276 391 P CA 0.306 63.414 63.100 0.013 0.000 0.788 391 P CB 0.734 32.438 31.700 0.007 0.000 1.114 392 T N -0.686 113.872 114.554 0.008 0.000 3.160 392 T HA 0.086 4.436 4.350 0.000 0.000 0.257 392 T C 1.211 175.907 174.700 -0.007 0.000 1.147 392 T CA 0.517 62.621 62.100 0.007 0.000 1.064 392 T CB -0.430 68.442 68.868 0.006 0.000 0.949 392 T HN 0.339 nan 8.240 nan 0.000 0.526 393 L N -1.359 119.854 121.223 -0.016 0.000 2.481 393 L HA 0.378 4.718 4.340 0.000 0.000 0.253 393 L C 1.894 178.734 176.870 -0.049 0.000 1.071 393 L CA 0.196 55.011 54.840 -0.041 0.000 1.189 393 L CB 0.296 42.331 42.059 -0.041 0.000 2.356 393 L HN -0.126 nan 8.230 nan 0.000 0.545 394 E N 0.395 120.578 120.200 -0.029 0.000 2.110 394 E HA -0.202 4.148 4.350 0.000 0.000 0.193 394 E C 2.019 178.609 176.600 -0.016 0.000 0.988 394 E CA 1.467 57.853 56.400 -0.024 0.000 0.804 394 E CB 0.048 29.742 29.700 -0.011 0.000 0.745 394 E HN 0.370 nan 8.360 nan 0.000 0.458 395 L N 1.698 122.919 121.223 -0.003 0.000 2.043 395 L HA -0.183 4.157 4.340 0.000 0.000 0.212 395 L C 0.975 177.854 176.870 0.014 0.000 1.075 395 L CA 1.791 56.641 54.840 0.016 0.000 0.752 395 L CB -0.525 41.551 42.059 0.029 0.000 0.891 395 L HN 0.150 nan 8.230 nan 0.000 0.432 396 R N -0.502 119.981 120.500 -0.028 0.000 4.518 396 R HA 0.146 4.486 4.340 0.000 0.000 0.243 396 R C 0.640 176.837 176.300 -0.172 0.000 1.720 396 R CA -0.272 55.760 56.100 -0.113 0.000 1.526 396 R CB 0.470 30.634 30.300 -0.228 0.000 1.425 396 R HN 0.369 nan 8.270 nan 0.000 0.787 397 Q N 0.356 120.113 119.800 -0.073 0.000 2.596 397 Q HA 0.047 4.387 4.340 0.000 0.000 0.190 397 Q C 1.707 177.697 176.000 -0.016 0.000 0.905 397 Q CA 0.560 56.328 55.803 -0.058 0.000 0.846 397 Q CB -0.150 28.570 28.738 -0.029 0.000 1.117 397 Q HN 0.321 nan 8.270 nan 0.000 0.630 398 V N 1.586 121.510 119.914 0.018 0.000 3.305 398 V HA -0.169 3.951 4.120 0.000 0.000 0.269 398 V C 1.996 178.146 176.094 0.094 0.000 1.157 398 V CA 0.969 63.297 62.300 0.046 0.000 1.157 398 V CB -0.622 31.226 31.823 0.041 0.000 0.772 398 V HN 0.464 nan 8.190 nan 0.000 0.498 399 C N -0.410 118.960 119.300 0.116 0.000 2.376 399 C HA -0.251 4.209 4.460 0.000 0.000 0.275 399 C C 2.582 177.767 174.990 0.325 0.000 1.200 399 C CA 1.660 60.811 59.018 0.222 0.000 1.756 399 C CB -1.258 26.674 27.740 0.321 0.000 2.050 399 C HN 0.632 nan 8.230 nan 0.000 0.460 400 Q N 0.337 120.334 119.800 0.328 0.000 1.948 400 Q HA -0.128 4.212 4.340 0.000 0.000 0.205 400 Q C 2.600 178.744 176.000 0.241 0.000 0.992 400 Q CA 1.946 58.013 55.803 0.440 0.000 0.849 400 Q CB -0.807 28.088 28.738 0.262 0.000 0.918 400 Q HN 0.777 nan 8.270 nan 0.000 0.421 401 G N 0.979 109.852 108.800 0.121 0.000 2.745 401 G HA2 -0.303 3.657 3.960 0.000 0.000 0.225 401 G HA3 -0.303 3.657 3.960 0.000 0.000 0.225 401 G C 1.307 176.241 174.900 0.056 0.000 1.108 401 G CA 1.556 46.690 45.100 0.058 0.000 0.749 401 G HN 0.222 nan 8.290 nan 0.000 0.625 402 L N -1.553 119.736 121.223 0.109 0.000 2.185 402 L HA 0.215 4.555 4.340 0.000 0.000 0.198 402 L C 2.439 179.388 176.870 0.132 0.000 1.079 402 L CA 0.516 55.419 54.840 0.105 0.000 0.780 402 L CB -0.752 41.380 42.059 0.122 0.000 0.955 402 L HN 0.167 nan 8.230 nan 0.000 0.462 403 F N 2.396 122.387 119.950 0.068 0.000 2.050 403 F HA -0.389 4.138 4.527 -0.000 0.000 0.294 403 F C 2.001 177.830 175.800 0.049 0.000 1.113 403 F CA 2.341 60.378 58.000 0.061 0.000 1.225 403 F CB -0.928 38.118 39.000 0.078 0.000 0.953 403 F HN 0.116 nan 8.300 nan 0.000 0.501 404 N N 0.352 118.692 118.700 -0.600 0.000 2.039 404 N HA -0.215 4.525 4.740 0.000 0.000 0.193 404 N C 1.856 177.194 175.510 -0.286 0.000 1.044 404 N CA 1.550 54.206 53.050 -0.656 0.000 0.847 404 N CB -0.717 37.546 38.487 -0.374 0.000 1.030 404 N HN 0.623 nan 8.380 nan 0.000 0.422 405 E N 0.183 120.303 120.200 -0.132 0.000 2.370 405 E HA -0.240 4.110 4.350 0.000 0.000 0.205 405 E C 1.135 177.712 176.600 -0.040 0.000 1.037 405 E CA 0.763 57.129 56.400 -0.057 0.000 0.845 405 E CB 0.048 29.744 29.700 -0.007 0.000 0.753 405 E HN 0.246 nan 8.360 nan 0.000 0.507 406 L N -0.022 121.172 121.223 -0.048 0.000 2.071 406 L HA -0.070 4.270 4.340 0.000 0.000 0.201 406 L C 2.497 179.347 176.870 -0.033 0.000 1.076 406 L CA 0.965 55.804 54.840 -0.000 0.000 0.755 406 L CB -1.203 40.896 42.059 0.067 0.000 0.915 406 L HN 0.311 nan 8.230 nan 0.000 0.445 407 L N -0.480 120.681 121.223 -0.103 0.000 2.081 407 L HA -0.202 4.138 4.340 0.000 0.000 0.212 407 L C 2.167 178.991 176.870 -0.077 0.000 1.080 407 L CA 1.002 55.784 54.840 -0.097 0.000 0.754 407 L CB -0.789 41.151 42.059 -0.198 0.000 0.893 407 L HN 0.273 nan 8.230 nan 0.000 0.433 408 E N 0.713 120.855 120.200 -0.097 0.000 2.492 408 E HA -0.173 4.177 4.350 0.000 0.000 0.204 408 E C 0.929 177.509 176.600 -0.034 0.000 1.073 408 E CA 0.691 57.053 56.400 -0.065 0.000 0.887 408 E CB -0.146 29.516 29.700 -0.063 0.000 0.813 408 E HN 0.675 nan 8.360 nan 0.000 0.562 409 N N -1.700 116.985 118.700 -0.025 0.000 2.372 409 N HA 0.079 4.819 4.740 0.000 0.000 0.242 409 N C 0.947 176.455 175.510 -0.003 0.000 1.124 409 N CA 0.929 53.974 53.050 -0.009 0.000 0.824 409 N CB 1.277 39.763 38.487 -0.000 0.000 1.468 409 N HN 0.120 nan 8.380 nan 0.000 0.470 410 G N 0.918 109.717 108.800 -0.002 0.000 2.370 410 G HA2 0.110 4.070 3.960 0.000 0.000 0.225 410 G HA3 0.110 4.070 3.960 0.000 0.000 0.225 410 G C -1.153 173.760 174.900 0.022 0.000 1.109 410 G CA -0.506 44.599 45.100 0.008 0.000 0.871 410 G HN 0.068 nan 8.290 nan 0.000 0.498 411 I N 0.653 121.240 120.570 0.029 0.000 2.769 411 I HA 0.684 4.854 4.170 0.000 0.000 0.298 411 I C 0.085 176.254 176.117 0.087 0.000 1.128 411 I CA -0.915 60.420 61.300 0.060 0.000 1.031 411 I CB 2.310 40.349 38.000 0.066 0.000 1.235 411 I HN 0.044 nan 8.210 nan 0.000 0.423 412 S N 3.207 118.988 115.700 0.134 0.000 2.475 412 S HA 0.802 5.272 4.470 0.000 0.000 0.298 412 S C -0.522 174.249 174.600 0.285 0.000 1.119 412 S CA -0.718 57.613 58.200 0.218 0.000 1.085 412 S CB 1.798 65.120 63.200 0.203 0.000 1.028 412 S HN 0.305 nan 8.310 nan 0.000 0.489 413 V N 3.076 123.274 119.914 0.473 0.000 2.628 413 V HA 0.462 4.582 4.120 0.000 0.000 0.306 413 V C -0.929 175.238 176.094 0.123 0.000 1.045 413 V CA -0.778 61.762 62.300 0.400 0.000 0.905 413 V CB 1.742 33.952 31.823 0.644 0.000 0.997 413 V HN 0.935 nan 8.190 nan 0.000 0.436 414 W N 8.028 129.228 121.300 -0.166 0.000 2.299 414 W HA 0.457 5.117 4.660 0.000 0.000 0.319 414 W C -2.924 173.345 176.519 -0.417 0.000 1.008 414 W CA -2.364 54.788 57.345 -0.322 0.000 1.384 414 W CB 2.067 31.386 29.460 -0.235 0.000 1.220 414 W HN 0.379 nan 8.180 nan 0.000 0.402 415 P HA 0.269 nan 4.420 nan 0.000 0.294 415 P C 0.245 176.955 177.300 -0.984 0.000 1.294 415 P CA -0.129 62.360 63.100 -1.018 0.000 0.827 415 P CB 2.084 32.771 31.700 -1.688 0.000 0.992 416 G N 2.181 110.631 108.800 -0.582 0.000 3.774 416 G HA2 0.051 4.011 3.960 0.000 0.000 0.287 416 G HA3 0.051 4.011 3.960 0.000 0.000 0.287 416 G C 0.520 175.328 174.900 -0.153 0.000 1.030 416 G CA -0.222 44.701 45.100 -0.295 0.000 0.824 416 G HN 0.468 nan 8.290 nan 0.000 0.518 417 Y N -0.491 119.754 120.300 -0.092 0.000 2.571 417 Y HA 0.243 4.793 4.550 -0.000 0.000 0.294 417 Y C 1.673 177.537 175.900 -0.060 0.000 1.141 417 Y CA -0.712 57.353 58.100 -0.059 0.000 1.308 417 Y CB -0.515 37.910 38.460 -0.059 0.000 1.002 417 Y HN 0.139 nan 8.280 nan 0.000 0.551 418 L N 0.250 121.635 121.223 0.270 0.000 2.645 418 L HA 0.078 4.418 4.340 0.000 0.000 0.235 418 L C 1.682 178.585 176.870 0.055 0.000 1.150 418 L CA 0.296 55.226 54.840 0.149 0.000 0.911 418 L CB -0.213 41.899 42.059 0.088 0.000 1.077 418 L HN 0.181 nan 8.230 nan 0.000 0.438 419 E N 0.094 120.324 120.200 0.050 0.000 3.145 419 E HA 0.071 4.421 4.350 0.000 0.000 0.412 419 E C 1.250 177.875 176.600 0.041 0.000 0.371 419 E CA 1.327 57.750 56.400 0.038 0.000 2.392 419 E CB 0.278 30.002 29.700 0.041 0.000 2.126 419 E HN 0.041 nan 8.360 nan 0.000 0.483 420 T N -2.317 112.263 114.554 0.044 0.000 3.513 420 T HA 0.101 4.451 4.350 0.000 0.000 0.110 420 T C -0.167 174.558 174.700 0.041 0.000 0.537 420 T CA 0.607 62.730 62.100 0.038 0.000 0.691 420 T CB -1.287 67.599 68.868 0.031 0.000 0.718 420 T HN 0.351 nan 8.240 nan 0.000 0.218 421 M N 2.078 121.701 119.600 0.039 0.000 2.012 421 M HA 0.583 5.063 4.480 0.000 0.000 0.248 421 M C 0.263 176.591 176.300 0.048 0.000 1.238 421 M CA -0.642 54.681 55.300 0.040 0.000 0.980 421 M CB 0.330 32.951 32.600 0.035 0.000 1.346 421 M HN 0.435 nan 8.290 nan 0.000 0.511 422 Q N 1.355 121.183 119.800 0.048 0.000 2.406 422 Q HA 0.215 4.555 4.340 0.000 0.000 0.242 422 Q C -0.860 175.174 176.000 0.056 0.000 1.036 422 Q CA -0.071 55.766 55.803 0.056 0.000 0.904 422 Q CB 0.813 29.583 28.738 0.054 0.000 1.244 422 Q HN 0.907 nan 8.270 nan 0.000 0.478 423 S N 2.816 118.555 115.700 0.065 0.000 2.881 423 S HA 0.014 4.484 4.470 0.000 0.000 0.228 423 S C 0.307 174.946 174.600 0.066 0.000 0.965 423 S CA 0.700 58.938 58.200 0.064 0.000 0.998 423 S CB -0.675 62.570 63.200 0.075 0.000 0.795 423 S HN 0.885 nan 8.310 nan 0.000 0.518 424 S N -0.509 115.229 115.700 0.063 0.000 3.986 424 S HA -0.172 4.298 4.470 0.000 0.000 0.642 424 S C 0.237 174.885 174.600 0.080 0.000 1.599 424 S CA 0.293 58.530 58.200 0.062 0.000 1.760 424 S CB -1.244 61.986 63.200 0.051 0.000 0.326 424 S HN 0.298 nan 8.310 nan 0.000 1.784 425 L N 0.566 121.834 121.223 0.075 0.000 2.500 425 L HA 0.483 4.823 4.340 0.000 0.000 0.219 425 L C 1.949 178.878 176.870 0.098 0.000 1.057 425 L CA 0.920 55.814 54.840 0.090 0.000 0.854 425 L CB -0.147 41.955 42.059 0.070 0.000 1.078 425 L HN 0.691 nan 8.230 nan 0.000 0.480 426 E N -1.010 119.242 120.200 0.085 0.000 2.340 426 E HA 0.042 4.392 4.350 0.000 0.000 0.198 426 E C 1.837 178.494 176.600 0.094 0.000 0.961 426 E CA 0.352 56.829 56.400 0.129 0.000 0.905 426 E CB 0.147 29.906 29.700 0.097 0.000 0.884 426 E HN 0.356 nan 8.360 nan 0.000 0.491 427 Q N 0.293 120.116 119.800 0.040 0.000 2.245 427 Q HA -0.040 4.300 4.340 0.000 0.000 0.201 427 Q C 1.596 177.573 176.000 -0.039 0.000 0.955 427 Q CA 0.683 56.481 55.803 -0.008 0.000 0.870 427 Q CB 0.115 28.855 28.738 0.004 0.000 0.945 427 Q HN 0.242 nan 8.270 nan 0.000 0.461 428 L N -1.443 119.785 121.223 0.009 0.000 2.131 428 L HA -0.088 4.252 4.340 0.000 0.000 0.206 428 L C 2.161 178.901 176.870 -0.216 0.000 1.087 428 L CA 1.578 56.443 54.840 0.041 0.000 0.767 428 L CB -2.201 39.963 42.059 0.175 0.000 0.917 428 L HN 0.155 nan 8.230 nan 0.000 0.441 429 Y N 2.283 122.400 120.300 -0.304 0.000 2.181 429 Y HA -0.155 4.395 4.550 0.000 0.000 0.288 429 Y C 2.630 178.251 175.900 -0.465 0.000 1.146 429 Y CA 1.424 59.202 58.100 -0.537 0.000 1.164 429 Y CB -0.638 37.663 38.460 -0.264 0.000 0.982 429 Y HN 0.182 nan 8.280 nan 0.000 0.515 430 S N 0.275 115.643 115.700 -0.554 0.000 2.420 430 S HA -0.174 4.296 4.470 0.000 0.000 0.237 430 S C 1.045 175.357 174.600 -0.481 0.000 1.023 430 S CA 1.306 59.194 58.200 -0.521 0.000 0.991 430 S CB -0.407 62.661 63.200 -0.221 0.000 0.792 430 S HN 0.330 nan 8.310 nan 0.000 0.488 431 K N 0.428 120.583 120.400 -0.409 0.000 2.117 431 K HA 0.165 4.485 4.320 0.000 0.000 0.240 431 K C 0.546 176.968 176.600 -0.296 0.000 1.031 431 K CA -0.442 55.720 56.287 -0.208 0.000 0.909 431 K CB -0.074 32.460 32.500 0.057 0.000 1.097 431 K HN 0.206 nan 8.250 nan 0.000 0.492 432 Y N -2.145 118.039 120.300 -0.194 0.000 4.851 432 Y HA -0.372 4.178 4.550 0.000 0.000 0.233 432 Y C 0.664 176.439 175.900 -0.210 0.000 0.988 432 Y CA 1.522 59.507 58.100 -0.192 0.000 1.974 432 Y CB -2.343 36.007 38.460 -0.183 0.000 1.524 432 Y HN 0.768 nan 8.280 nan 0.000 0.525 433 D N -0.069 120.151 120.400 -0.299 0.000 2.324 433 D HA -0.026 4.614 4.640 0.000 0.000 0.212 433 D C 1.781 177.916 176.300 -0.274 0.000 0.984 433 D CA 1.381 55.146 54.000 -0.392 0.000 0.885 433 D CB 0.177 40.556 40.800 -0.701 0.000 0.996 433 D HN 0.585 nan 8.370 nan 0.000 0.505 434 E N -0.129 119.931 120.200 -0.232 0.000 2.042 434 E HA 0.006 4.356 4.350 0.000 0.000 0.189 434 E C 1.348 177.863 176.600 -0.142 0.000 0.974 434 E CA 0.345 56.630 56.400 -0.192 0.000 0.806 434 E CB 0.030 29.645 29.700 -0.142 0.000 0.769 434 E HN 0.338 nan 8.360 nan 0.000 0.451 435 M N 0.520 120.075 119.600 -0.074 0.000 1.774 435 M HA 0.071 4.551 4.480 0.000 0.000 0.176 435 M C 0.456 176.728 176.300 -0.047 0.000 1.202 435 M CA 0.126 55.400 55.300 -0.044 0.000 0.883 435 M CB 0.649 33.229 32.600 -0.034 0.000 1.104 435 M HN -0.136 nan 8.290 nan 0.000 0.482 436 S N 0.089 115.774 115.700 -0.024 0.000 2.561 436 S HA 0.661 5.131 4.470 0.000 0.000 0.303 436 S C -1.419 173.175 174.600 -0.010 0.000 1.110 436 S CA -0.696 57.493 58.200 -0.019 0.000 1.034 436 S CB 0.550 63.747 63.200 -0.005 0.000 1.010 436 S HN 0.337 nan 8.310 nan 0.000 0.482 437 I N 5.554 126.121 120.570 -0.006 0.000 2.499 437 I HA 0.372 4.542 4.170 0.000 0.000 0.288 437 I C 0.841 176.876 176.117 -0.137 0.000 1.048 437 I CA -0.363 60.928 61.300 -0.014 0.000 1.062 437 I CB 1.712 39.774 38.000 0.103 0.000 1.238 437 I HN 0.645 nan 8.210 nan 0.000 0.426 438 L N 4.319 125.447 121.223 -0.159 0.000 2.005 438 L HA 0.103 4.443 4.340 0.000 0.000 0.207 438 L C -0.206 175.964 176.870 -1.167 0.000 1.072 438 L CA 1.641 56.222 54.840 -0.432 0.000 0.744 438 L CB -0.163 41.911 42.059 0.025 0.000 0.895 438 L HN 0.360 nan 8.230 nan 0.000 0.433 439 F N -2.213 117.774 119.950 0.061 0.000 2.654 439 F HA 0.448 4.975 4.527 -0.000 0.000 0.308 439 F C -0.211 175.641 175.800 0.086 0.000 1.108 439 F CA -0.774 57.255 58.000 0.047 0.000 0.957 439 F CB 1.910 40.894 39.000 -0.026 0.000 1.309 439 F HN -0.396 nan 8.300 nan 0.000 0.446 440 T N 1.183 115.898 114.554 0.267 0.000 2.883 440 T HA 0.864 5.214 4.350 0.000 0.000 0.296 440 T C -1.185 173.622 174.700 0.178 0.000 1.117 440 T CA -0.662 61.574 62.100 0.227 0.000 1.006 440 T CB 2.495 71.558 68.868 0.325 0.000 1.191 440 T HN 0.390 nan 8.240 nan 0.000 0.508 441 V N 1.325 121.316 119.914 0.128 0.000 3.112 441 V HA 0.785 4.905 4.120 0.000 0.000 0.310 441 V C -1.500 174.590 176.094 -0.006 0.000 1.364 441 V CA -0.847 61.481 62.300 0.047 0.000 1.058 441 V CB 2.503 34.348 31.823 0.036 0.000 1.079 441 V HN 0.721 nan 8.190 nan 0.000 0.463 442 L N 0.676 121.815 121.223 -0.141 0.000 2.653 442 L HA 0.800 5.140 4.340 0.000 0.000 0.257 442 L C -1.917 174.774 176.870 -0.298 0.000 0.969 442 L CA -0.265 54.439 54.840 -0.227 0.000 0.869 442 L CB 2.106 43.961 42.059 -0.341 0.000 1.439 442 L HN 0.544 nan 8.230 nan 0.000 0.414 443 V N 1.272 121.090 119.914 -0.160 0.000 3.007 443 V HA 0.894 5.014 4.120 0.000 0.000 0.311 443 V C -0.248 175.838 176.094 -0.013 0.000 1.120 443 V CA -0.201 62.050 62.300 -0.082 0.000 0.980 443 V CB 2.429 34.246 31.823 -0.010 0.000 1.033 443 V HN 1.007 nan 8.190 nan 0.000 0.429 444 T N -1.486 113.083 114.554 0.024 0.000 2.792 444 T HA 0.411 4.761 4.350 0.000 0.000 0.303 444 T C 0.531 175.261 174.700 0.050 0.000 1.310 444 T CA -0.145 61.989 62.100 0.056 0.000 1.007 444 T CB 1.792 70.718 68.868 0.097 0.000 1.335 444 T HN 0.660 nan 8.240 nan 0.000 0.504 445 E N 0.568 120.797 120.200 0.047 0.000 2.208 445 E HA -0.250 4.100 4.350 0.000 0.000 0.202 445 E C 1.897 178.520 176.600 0.038 0.000 1.014 445 E CA 2.385 58.808 56.400 0.038 0.000 0.819 445 E CB -1.771 27.949 29.700 0.033 0.000 0.735 445 E HN 0.867 nan 8.360 nan 0.000 0.469 446 T N -0.279 114.303 114.554 0.047 0.000 2.685 446 T HA -0.259 4.091 4.350 0.000 0.000 0.268 446 T C 1.751 176.476 174.700 0.042 0.000 1.034 446 T CA 2.753 64.881 62.100 0.046 0.000 1.149 446 T CB -1.110 67.794 68.868 0.060 0.000 0.860 446 T HN 0.400 nan 8.240 nan 0.000 0.449 447 T N 1.654 116.234 114.554 0.044 0.000 3.007 447 T HA 0.119 4.469 4.350 0.000 0.000 0.270 447 T C 1.740 176.459 174.700 0.032 0.000 1.107 447 T CA 0.981 63.105 62.100 0.039 0.000 1.118 447 T CB -0.449 68.440 68.868 0.035 0.000 0.889 447 T HN 0.473 nan 8.240 nan 0.000 0.506 448 L N 1.159 122.399 121.223 0.030 0.000 1.938 448 L HA -0.083 4.257 4.340 0.000 0.000 0.212 448 L C 2.593 179.475 176.870 0.021 0.000 1.085 448 L CA 1.698 56.552 54.840 0.024 0.000 0.760 448 L CB -0.427 41.645 42.059 0.020 0.000 0.888 448 L HN -0.007 nan 8.230 nan 0.000 0.433 449 E N -0.023 120.189 120.200 0.020 0.000 2.368 449 E HA -0.344 4.006 4.350 0.000 0.000 0.222 449 E C 1.449 178.058 176.600 0.014 0.000 1.099 449 E CA 2.183 58.593 56.400 0.016 0.000 0.885 449 E CB -0.099 29.611 29.700 0.017 0.000 0.754 449 E HN 0.690 nan 8.360 nan 0.000 0.466 450 N N -3.305 115.406 118.700 0.019 0.000 2.143 450 N HA 0.063 4.803 4.740 0.000 0.000 0.294 450 N C -0.619 174.904 175.510 0.022 0.000 0.929 450 N CA 1.142 54.201 53.050 0.015 0.000 0.723 450 N CB 0.971 39.463 38.487 0.009 0.000 1.981 450 N HN 0.129 nan 8.380 nan 0.000 0.854 451 G N 1.028 109.849 108.800 0.034 0.000 2.604 451 G HA2 0.125 4.085 3.960 0.000 0.000 0.225 451 G HA3 0.125 4.085 3.960 0.000 0.000 0.225 451 G C -1.832 173.107 174.900 0.065 0.000 1.059 451 G CA -0.326 44.800 45.100 0.044 0.000 1.203 451 G HN 0.140 nan 8.290 nan 0.000 0.630 452 L N 1.973 123.234 121.223 0.062 0.000 2.528 452 L HA 0.692 5.032 4.340 0.000 0.000 0.267 452 L C -0.142 176.763 176.870 0.059 0.000 0.961 452 L CA -0.908 53.980 54.840 0.080 0.000 0.866 452 L CB 1.082 43.193 42.059 0.088 0.000 1.248 452 L HN 0.514 nan 8.230 nan 0.000 0.404 453 I N -0.278 120.310 120.570 0.031 0.000 3.108 453 I HA 0.639 4.809 4.170 0.000 0.000 0.312 453 I C -0.050 176.074 176.117 0.011 0.000 1.095 453 I CA -0.683 60.617 61.300 -0.001 0.000 1.000 453 I CB 1.589 39.549 38.000 -0.066 0.000 1.229 453 I HN 0.524 nan 8.210 nan 0.000 0.454 454 H N 3.031 122.097 119.070 -0.008 0.000 2.457 454 H HA 0.874 5.430 4.556 0.000 0.000 0.335 454 H C -1.006 174.314 175.328 -0.013 0.000 1.115 454 H CA -0.927 55.109 56.048 -0.021 0.000 1.219 454 H CB 1.661 31.413 29.762 -0.017 0.000 1.471 454 H HN 0.877 nan 8.280 nan 0.000 0.491 455 L N 0.258 121.526 121.223 0.075 0.000 2.502 455 L HA 0.774 5.114 4.340 0.000 0.000 0.253 455 L C -0.806 176.099 176.870 0.059 0.000 1.070 455 L CA -1.315 53.555 54.840 0.049 0.000 0.871 455 L CB 2.837 44.901 42.059 0.008 0.000 1.487 455 L HN 0.666 nan 8.230 nan 0.000 0.408 456 R N -0.085 120.465 120.500 0.084 0.000 2.752 456 R HA 0.612 4.952 4.340 0.000 0.000 0.271 456 R C -1.175 175.218 176.300 0.155 0.000 1.026 456 R CA -0.336 55.810 56.100 0.076 0.000 0.901 456 R CB 2.386 32.674 30.300 -0.019 0.000 1.243 456 R HN 0.910 nan 8.270 nan 0.000 0.463 457 S N -0.465 115.316 115.700 0.135 0.000 2.713 457 S HA 0.307 4.777 4.470 0.000 0.000 0.277 457 S C 0.734 175.362 174.600 0.047 0.000 1.168 457 S CA -0.415 57.871 58.200 0.144 0.000 0.994 457 S CB 1.491 64.800 63.200 0.183 0.000 1.054 457 S HN 0.671 nan 8.310 nan 0.000 0.555 458 R N -0.559 119.928 120.500 -0.021 0.000 2.121 458 R HA 0.169 4.509 4.340 0.000 0.000 0.206 458 R C 0.781 177.115 176.300 0.055 0.000 1.094 458 R CA 0.800 56.902 56.100 0.004 0.000 1.055 458 R CB -0.306 29.934 30.300 -0.098 0.000 0.964 458 R HN 0.595 nan 8.270 nan 0.000 0.473 459 D N -0.675 119.751 120.400 0.044 0.000 2.262 459 D HA -0.054 4.586 4.640 0.000 0.000 0.212 459 D C 1.670 178.004 176.300 0.058 0.000 0.964 459 D CA 1.638 55.670 54.000 0.054 0.000 0.875 459 D CB 0.134 40.959 40.800 0.041 0.000 0.996 459 D HN 0.330 nan 8.370 nan 0.000 0.497 460 T N -2.465 112.125 114.554 0.060 0.000 3.055 460 T HA -0.065 4.285 4.350 0.000 0.000 0.265 460 T C 1.140 175.868 174.700 0.047 0.000 1.111 460 T CA 1.114 63.247 62.100 0.055 0.000 1.118 460 T CB -0.379 68.532 68.868 0.070 0.000 0.909 460 T HN 0.018 nan 8.240 nan 0.000 0.501 461 T N 2.099 116.685 114.554 0.053 0.000 3.803 461 T HA -0.152 4.198 4.350 0.000 0.000 0.376 461 T C -0.237 174.455 174.700 -0.013 0.000 0.761 461 T CA 0.234 62.343 62.100 0.015 0.000 1.962 461 T CB -2.024 66.850 68.868 0.011 0.000 1.780 461 T HN 0.411 nan 8.240 nan 0.000 0.771 462 M N 2.894 122.507 119.600 0.023 0.000 2.063 462 M HA 0.393 4.873 4.480 0.000 0.000 0.348 462 M C 0.398 176.710 176.300 0.019 0.000 1.180 462 M CA -0.020 55.295 55.300 0.026 0.000 1.059 462 M CB 1.327 33.965 32.600 0.064 0.000 1.544 462 M HN 0.281 nan 8.290 nan 0.000 0.447 463 K N 2.693 123.088 120.400 -0.010 0.000 2.159 463 K HA 0.633 4.953 4.320 0.000 0.000 0.266 463 K C -0.485 176.115 176.600 -0.000 0.000 0.975 463 K CA -0.551 55.734 56.287 -0.004 0.000 0.865 463 K CB 2.003 34.485 32.500 -0.029 0.000 1.087 463 K HN 0.548 nan 8.250 nan 0.000 0.446 464 E N 2.113 122.316 120.200 0.005 0.000 2.390 464 E HA 0.257 4.607 4.350 0.000 0.000 0.277 464 E C -1.160 175.431 176.600 -0.015 0.000 0.939 464 E CA -0.984 55.407 56.400 -0.015 0.000 0.769 464 E CB 1.799 31.474 29.700 -0.042 0.000 1.251 464 E HN 0.243 nan 8.360 nan 0.000 0.450 465 M N 1.633 121.223 119.600 -0.017 0.000 2.227 465 M HA 0.548 5.028 4.480 0.000 0.000 0.316 465 M C -0.155 176.083 176.300 -0.104 0.000 1.144 465 M CA 0.355 55.650 55.300 -0.009 0.000 1.121 465 M CB 0.611 33.225 32.600 0.023 0.000 1.440 465 M HN 0.622 nan 8.290 nan 0.000 0.473 466 M N -0.288 119.245 119.600 -0.113 0.000 3.069 466 M HA 0.318 4.798 4.480 0.000 0.000 0.274 466 M C -1.891 174.326 176.300 -0.139 0.000 1.146 466 M CA -0.787 54.329 55.300 -0.306 0.000 0.807 466 M CB 1.745 34.115 32.600 -0.382 0.000 1.621 466 M HN 0.741 nan 8.290 nan 0.000 0.521 467 H N 1.891 120.926 119.070 -0.059 0.000 2.489 467 H HA 0.402 4.958 4.556 -0.000 0.000 0.322 467 H C -0.695 174.616 175.328 -0.028 0.000 1.091 467 H CA -0.728 55.300 56.048 -0.032 0.000 1.291 467 H CB 0.794 30.544 29.762 -0.021 0.000 1.436 467 H HN 0.540 nan 8.280 nan 0.000 0.480 468 I N 2.573 123.203 120.570 0.099 0.000 2.293 468 I HA 0.112 4.282 4.170 0.000 0.000 0.299 468 I C -0.087 176.073 176.117 0.072 0.000 1.153 468 I CA 0.934 62.272 61.300 0.062 0.000 1.302 468 I CB -0.849 37.182 38.000 0.051 0.000 1.460 468 I HN 0.643 nan 8.210 nan 0.000 0.552 469 S N 4.369 120.114 115.700 0.076 0.000 5.984 469 S HA -0.024 4.446 4.470 0.000 0.000 0.117 469 S C 1.216 175.865 174.600 0.082 0.000 1.161 469 S CA -0.010 58.234 58.200 0.073 0.000 1.393 469 S CB -0.478 62.764 63.200 0.070 0.000 1.908 469 S HN 0.596 nan 8.310 nan 0.000 0.533 470 K N 1.849 122.306 120.400 0.095 0.000 2.211 470 K HA -0.012 4.308 4.320 0.000 0.000 0.203 470 K C 2.033 178.723 176.600 0.149 0.000 1.050 470 K CA 1.138 57.491 56.287 0.110 0.000 0.945 470 K CB -0.261 32.308 32.500 0.116 0.000 0.732 470 K HN 0.231 nan 8.250 nan 0.000 0.451 471 L N 2.459 123.761 121.223 0.130 0.000 2.082 471 L HA -0.337 4.003 4.340 0.000 0.000 0.223 471 L C 2.080 179.094 176.870 0.241 0.000 1.086 471 L CA 2.185 57.143 54.840 0.196 0.000 0.793 471 L CB -0.946 41.176 42.059 0.106 0.000 0.896 471 L HN 0.259 nan 8.230 nan 0.000 0.441 472 K N -0.600 119.886 120.400 0.143 0.000 1.977 472 K HA -0.225 4.095 4.320 0.000 0.000 0.218 472 K C 1.731 178.385 176.600 0.091 0.000 1.051 472 K CA 2.199 58.545 56.287 0.100 0.000 0.953 472 K CB -0.433 32.108 32.500 0.068 0.000 0.727 472 K HN 0.546 nan 8.250 nan 0.000 0.445 473 D N -0.140 120.317 120.400 0.095 0.000 2.350 473 D HA -0.130 4.510 4.640 0.000 0.000 0.216 473 D C 1.672 178.028 176.300 0.093 0.000 0.968 473 D CA 0.563 54.607 54.000 0.074 0.000 0.894 473 D CB -0.075 40.768 40.800 0.072 0.000 0.909 473 D HN 0.235 nan 8.370 nan 0.000 0.520 474 F N 2.120 122.082 119.950 0.020 0.000 2.022 474 F HA -0.157 4.370 4.527 -0.000 0.000 0.293 474 F C 2.150 177.971 175.800 0.034 0.000 1.142 474 F CA 1.061 59.072 58.000 0.018 0.000 1.177 474 F CB -0.852 38.144 39.000 -0.006 0.000 0.982 474 F HN -0.217 nan 8.300 nan 0.000 0.473 475 L N 0.440 121.211 121.223 -0.754 0.000 2.011 475 L HA -0.354 3.986 4.340 0.000 0.000 0.225 475 L C 2.595 179.230 176.870 -0.391 0.000 1.084 475 L CA 1.581 55.965 54.840 -0.760 0.000 0.791 475 L CB -1.092 40.818 42.059 -0.249 0.000 0.898 475 L HN 0.283 nan 8.230 nan 0.000 0.440 476 I N -0.240 120.216 120.570 -0.189 0.000 2.147 476 I HA -0.364 3.806 4.170 0.000 0.000 0.245 476 I C 2.441 178.494 176.117 -0.107 0.000 1.059 476 I CA 1.843 63.084 61.300 -0.098 0.000 1.320 476 I CB -1.234 36.740 38.000 -0.044 0.000 1.021 476 I HN 0.368 nan 8.210 nan 0.000 0.415 477 K N -0.803 119.514 120.400 -0.138 0.000 2.296 477 K HA -0.106 4.214 4.320 0.000 0.000 0.200 477 K C 1.915 178.407 176.600 -0.179 0.000 1.048 477 K CA 0.722 56.943 56.287 -0.110 0.000 0.966 477 K CB -0.400 32.071 32.500 -0.049 0.000 0.754 477 K HN 0.376 nan 8.250 nan 0.000 0.466 478 Y N 0.441 120.502 120.300 -0.398 0.000 2.482 478 Y HA 0.187 4.737 4.550 0.000 0.000 0.270 478 Y C 1.537 177.295 175.900 -0.237 0.000 1.152 478 Y CA 0.119 57.978 58.100 -0.402 0.000 1.292 478 Y CB 0.235 38.204 38.460 -0.818 0.000 1.070 478 Y HN -0.124 nan 8.280 nan 0.000 0.528 479 I N -2.287 118.252 120.570 -0.052 0.000 3.616 479 I HA -0.054 4.116 4.170 0.000 0.000 0.296 479 I C 2.269 178.395 176.117 0.016 0.000 1.226 479 I CA 0.733 62.052 61.300 0.031 0.000 1.394 479 I CB -0.008 37.993 38.000 0.002 0.000 1.171 479 I HN -0.001 nan 8.210 nan 0.000 0.442 480 S N -0.106 115.580 115.700 -0.022 0.000 2.404 480 S HA -0.089 4.381 4.470 0.000 0.000 0.223 480 S C 2.072 176.670 174.600 -0.003 0.000 1.040 480 S CA 1.545 59.742 58.200 -0.005 0.000 0.957 480 S CB -0.038 63.153 63.200 -0.015 0.000 0.826 480 S HN 0.291 nan 8.310 nan 0.000 0.491 481 S N 0.437 116.109 115.700 -0.047 0.000 2.522 481 S HA 0.290 4.760 4.470 0.000 0.000 0.227 481 S C 1.585 176.160 174.600 -0.042 0.000 0.986 481 S CA 0.731 58.900 58.200 -0.051 0.000 0.929 481 S CB -0.347 62.796 63.200 -0.095 0.000 0.769 481 S HN 0.603 nan 8.310 nan 0.000 0.529 482 A N 0.333 123.137 122.820 -0.027 0.000 2.239 482 A HA 0.214 4.534 4.320 0.000 0.000 0.209 482 A C 1.694 179.420 177.584 0.237 0.000 1.171 482 A CA 0.602 52.694 52.037 0.092 0.000 0.768 482 A CB -0.146 18.980 19.000 0.210 0.000 0.790 482 A HN 0.446 nan 8.150 nan 0.000 0.478 483 K N -1.113 119.371 120.400 0.140 0.000 2.536 483 K HA 0.174 4.494 4.320 0.000 0.000 0.203 483 K C 0.349 177.029 176.600 0.133 0.000 1.063 483 K CA -0.058 56.330 56.287 0.169 0.000 1.063 483 K CB 0.200 32.784 32.500 0.140 0.000 0.843 483 K HN 0.341 nan 8.250 nan 0.000 0.521 484 N N -0.394 118.360 118.700 0.091 0.000 2.414 484 N HA 0.011 4.751 4.740 0.000 0.000 0.189 484 N C 0.471 176.017 175.510 0.060 0.000 1.039 484 N CA 0.311 53.398 53.050 0.061 0.000 0.889 484 N CB 0.204 38.706 38.487 0.025 0.000 1.085 484 N HN -0.170 nan 8.380 nan 0.000 0.442 485 V N 0.000 119.944 119.914 0.049 0.000 2.409 485 V HA 0.000 4.120 4.120 0.000 0.000 0.244 485 V CA 0.000 62.326 62.300 0.043 0.000 1.235 485 V CB 0.000 31.839 31.823 0.027 0.000 1.184 485 V HN 0.000 nan 8.190 nan 0.000 0.556