NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4364 8.3349 116.7927 57.3299 64.3090 173.4815 4 P 4.1623 0.0000 0.0000 60.9860 31.7683 172.8876 5 E 4.2292 8.5673 119.6538 55.7751 31.7628 174.9857 6 D 4.6355 7.5740 118.3201 52.6395 44.5749 174.5434 7 F 4.7078 8.4710 121.3719 55.6744 42.7251 174.2799 8 V 4.6151 8.6122 124.9104 60.9402 34.5407 173.8101 9 F 5.6116 8.9833 128.4318 56.6180 42.1262 174.0864 10 Q 4.4080 8.4081 123.8897 53.8793 32.7953 173.8360 11 F 4.8436 8.5526 124.8363 56.1100 42.2470 173.9330 12 K 4.0204 7.9862 125.3890 54.4998 34.9334 175.7157 13 G 3.8598 8.3499 113.6893 45.1336 0.0000 171.4918 14 M 4.5220 8.6665 126.8341 53.6272 34.3099 174.4198 15 C 5.2027 8.4521 120.1978 55.2693 44.1625 172.7019 16 Y 4.6607 8.8231 121.9722 56.0746 40.0962 174.7870 17 F 5.4298 8.9229 122.0452 56.1139 42.5867 174.8548 18 T 4.5478 8.7102 118.4905 62.3454 73.0890 173.1438 19 N 4.3270 9.4370 123.0346 54.7724 37.9443 174.0962 20 G 3.9017 7.6483 115.6690 47.4346 0.0000 173.0821 21 T 4.4607 8.3531 112.4771 60.8629 68.8751 174.4941 22 E 3.9758 8.3194 125.3605 59.0425 29.9205 176.9493 23 R 4.6375 8.0624 118.3532 54.3271 32.8489 175.1711 24 V 4.8802 8.3811 123.2586 61.0029 35.0584 174.5831 25 R 4.6203 8.8167 126.3089 54.5559 33.7529 173.0887 26 L 5.1760 9.0631 128.6255 53.4142 44.6852 175.1119 27 V 4.9829 9.1574 126.1626 61.5167 34.7036 173.8598 28 T 4.8253 9.0748 119.6204 60.3170 70.9442 173.8265 29 R 5.0283 8.4791 124.9826 54.4661 33.3646 174.1933 30 Y 4.8284 8.9536 121.4835 56.2996 40.2852 174.8319 31 I 5.2125 8.6821 125.1827 59.6080 41.4386 173.7672 32 Y 5.0557 9.3906 127.9429 57.4618 40.6976 176.6087 33 N 4.0843 9.7070 128.3692 54.6014 37.5720 175.4368 34 R 4.5189 9.2795 120.8961 56.3145 31.6920 174.2418 35 E 4.5782 8.4374 120.8409 53.9928 30.6618 174.7746 36 E 4.5371 8.9260 128.2913 56.4433 30.3883 175.3998 37 Y 4.9413 9.1521 123.4787 56.4201 40.7367 175.1380 38 A 5.2343 7.3941 120.4149 50.9599 23.1026 174.7866 39 R 5.3365 9.0995 118.4895 55.3468 34.4689 173.4595 40 F 4.7496 9.2448 126.8940 56.3014 42.1262 173.0943 41 D 5.1922 7.6003 125.9263 52.1315 42.7859 177.0564 42 S 4.1686 8.9972 121.6796 61.0097 63.2064 175.2435 43 D 4.4167 8.2549 120.0710 55.8961 40.9978 177.3050 44 V 3.7891 7.5170 117.8420 63.6913 32.2228 176.9273 45 G 4.0197 9.0972 106.5996 45.1925 0.0000 173.0604 46 V 4.8096 6.6150 110.4766 59.7304 35.8422 174.0103 47 Y 4.7130 9.3167 119.8498 58.4699 38.6525 175.8652 48 R 4.8780 9.2869 120.7958 54.2983 34.7084 174.3437 49 A 4.5875 8.7051 124.5790 52.0161 18.7092 177.5595 50 V 4.1437 9.0055 123.2654 64.3552 32.3988 175.8203 51 T 4.8536 7.7565 108.5733 58.0878 72.2515 172.6057 52 P 4.3336 0.0000 0.0000 65.9155 30.9611 178.7359 53 Q 4.1751 8.1843 115.0972 57.6988 28.9731 177.5874 54 G 4.1303 8.0958 105.9676 44.9060 0.0000 175.5514 55 R 3.8842 7.7771 121.8762 59.1041 30.0961 176.3933 56 P 4.1359 0.0000 0.0000 65.7169 31.2630 178.3502 57 D 3.3700 7.5923 116.7807 56.6695 40.6527 178.2994 58 A 4.0004 7.6588 121.2086 55.3552 18.1663 179.6215 59 E 3.9137 7.8261 115.6140 59.5610 29.7493 178.7005 60 Y 4.3675 7.7445 119.4803 60.7078 39.0345 178.1847 61 W 4.2232 8.2589 120.1335 59.8125 28.8218 178.3158 62 N 4.6748 8.2122 115.5606 55.5969 38.0740 176.7575 63 S 4.6735 7.6554 113.6916 58.4612 63.8485 174.5333 64 Q 4.3299 7.4913 122.8359 54.0699 29.2196 175.6274 65 K 3.8105 8.5802 126.9364 59.7478 32.2345 177.8824 66 E 3.8797 8.1144 118.7187 59.1514 29.5130 178.8217 67 V 3.4613 7.5852 117.7150 65.8440 31.7431 177.5868 68 L 4.0476 8.1103 120.2043 58.4013 42.0012 178.8180 69 E 4.0843 8.5453 118.9115 59.2662 29.1260 179.6121 70 G 3.5564 7.9303 105.0078 48.1055 0.0000 175.6646 71 T 3.9882 7.9730 118.2880 66.2842 68.3980 177.1675 72 R 3.9650 7.9190 119.8289 59.1121 30.0044 178.7393 73 A 4.1451 8.0267 119.9635 54.3473 18.3480 179.3058 74 E 4.3058 7.9347 118.6458 58.4419 29.4912 178.8608 75 L 3.9500 7.5487 120.3484 57.8760 42.0645 178.2495 76 D 4.4185 7.9552 117.2016 57.1466 41.8662 178.3705 77 T 3.9931 8.2490 110.2883 64.3284 68.4816 174.6562 78 V 4.1250 7.9532 119.4942 64.7351 32.9581 176.7150 79 C 4.5684 8.0512 115.1647 60.6019 35.8094 176.5362 80 R 4.0671 8.1899 119.1334 59.6738 29.6652 178.9234 81 H 4.2922 8.3731 115.9165 58.5129 28.7057 177.5810 82 N 4.1049 8.5070 118.9212 56.0837 38.1823 176.7943 83 Y 3.6447 7.8359 120.7359 60.4423 38.6330 177.9468 84 E 3.9890 7.9260 118.3927 59.5136 29.7204 179.2552 85 V 3.6859 7.7352 116.6727 65.0060 31.8843 176.5370 86 A 4.4566 7.8971 118.7204 53.5690 20.5256 178.3829 87 F 4.2697 7.2321 115.6311 60.5936 38.7001 177.5802 88 R 3.7397 7.7662 117.9948 59.3327 30.1071 178.5753 89 G 3.6656 7.8522 104.8819 47.8931 0.0000 175.6234 90 I 3.6867 7.8813 122.5307 63.9824 36.9087 178.2283 91 L 4.2624 8.2230 118.5690 56.6319 41.5302 178.2737 92 Q 4.4119 7.7636 116.6878 54.8241 29.4832 175.8444 93 R 4.0356 7.5555 121.7920 56.3945 30.6226 175.9333 94 R 4.8933 8.5077 123.0886 54.5764 33.8296 174.4204 95 V 4.4750 9.0214 122.9426 60.7996 34.2448 174.5309 96 E 4.9092 9.2234 128.3089 55.2540 29.9050 175.4280 97 P 4.8517 0.0000 0.0000 63.2442 32.7475 175.4221 98 T 4.6196 8.8825 118.3510 62.0043 70.7898 173.6585 99 V 4.8971 8.4226 125.9336 61.2555 33.8789 174.6720 100 T 4.8155 8.8895 117.3803 60.0188 72.1762 172.7505 101 I 5.2008 8.2911 124.6261 59.8602 40.1180 175.0213 102 S 4.6202 8.4094 118.2323 56.6638 66.3666 172.5942 103 P 4.5312 0.0000 0.0000 62.9301 31.8093 175.7563 104 S 4.3319 8.4896 116.1617 60.0235 64.4760 174.3411 *113 N 4.5106 7.6953 117.9860 52.3640 40.2439 173.1309 114 L 5.0024 8.1826 121.3286 52.7542 45.2418 174.8204 115 L 4.5161 8.4329 125.1949 53.0356 44.5530 174.9164 116 V 4.8037 8.5030 126.4482 61.3343 34.1159 173.2475 117 C 5.0418 9.4751 128.8089 55.2911 46.1686 172.4693 118 S 4.9043 9.3112 124.3489 57.2778 64.2581 173.7645 119 V 4.8298 8.7259 126.8488 61.6098 32.6957 174.5608 120 T 4.9371 8.8798 118.4188 59.4535 72.2158 173.2100 121 D 4.3957 8.4246 119.8802 55.8427 38.2917 172.7193 122 F 5.4683 7.5034 113.6709 55.6517 42.3915 175.2262 123 Y 5.1201 8.7436 118.5605 56.2929 42.6646 172.8900 124 P 3.5580 0.0000 0.0000 61.6497 32.4402 176.3127 125 G 2.8609 8.1571 108.2150 47.1748 0.0000 173.9896 126 Q 4.0232 7.6819 119.0316 55.9968 29.0465 175.0709 127 I 4.6110 7.7559 121.5603 59.5381 41.5239 173.4642 128 K 4.4871 8.8322 127.2218 54.6662 35.0976 174.8537 129 V 4.8110 8.4717 127.1997 61.1536 33.7995 174.7452 130 R 4.7589 9.1871 126.2524 54.2205 34.3921 174.2452 131 W 5.4008 8.5916 121.2287 55.3262 31.9218 175.0757 132 F 5.3227 9.8375 121.4358 55.7455 43.0602 173.8392 133 R 4.7195 9.2185 122.7872 54.7626 32.6619 175.2138 134 N 4.2547 10.1331 125.9532 54.6726 36.7395 174.8936 135 D 4.5646 8.4933 113.0713 54.8467 38.8792 173.8064 136 Q 4.6650 8.2504 120.2474 53.7383 29.9786 174.8602 137 E 3.4328 8.8254 124.6211 55.9013 30.1542 175.6493 138 E 4.4123 8.8375 126.9253 55.7240 30.6768 175.8883 139 T 4.2726 8.5589 112.5241 62.6088 70.3524 174.6339 140 A 4.3582 7.7048 124.0093 51.7401 20.4735 177.5547 141 G 3.7574 8.6697 106.7506 45.6939 0.0000 172.7460 142 V 4.8623 7.1112 120.0887 60.8902 33.1572 175.2647 143 V 4.5308 8.7929 127.4082 61.1078 34.5844 174.0229 144 S 5.3597 8.6735 121.5090 56.5709 65.2436 173.4483 145 T 4.3836 8.6517 116.2930 60.4240 69.9631 172.4432 146 P 4.5103 0.0000 0.0000 61.6874 32.1965 175.9764 147 L 4.1653 8.2914 121.9924 55.5745 42.8033 175.9117 148 I 4.4135 8.8459 127.5773 59.7349 39.1243 174.6683 149 R 4.2967 8.5824 128.5478 55.4278 29.9146 176.0765 150 N 4.3281 8.4674 125.0223 54.4294 38.8961 176.6094 151 G 3.8513 8.0995 106.1610 44.9428 0.0000 173.4049 152 D 4.8775 7.5038 117.7848 52.9968 39.8111 176.1202 153 W 3.2821 8.1578 116.4519 58.5042 26.1819 173.9842 154 T 4.9974 7.3869 105.8989 60.3329 72.2992 172.1318 155 F 5.1842 8.6698 121.1041 55.9014 43.3250 173.7375 156 Q 5.1272 8.7594 116.3189 55.7333 32.3255 173.3234 157 I 4.8599 9.0851 119.2621 59.9890 42.1376 173.0897 158 L 5.3242 8.7700 128.0055 52.9367 45.0216 175.6035 159 V 4.7960 8.6718 122.4716 61.6087 34.4505 174.1381 160 M 5.1398 9.5340 128.1129 53.9403 34.6235 174.9697 161 L 4.8597 8.3005 123.2976 53.0121 45.6699 175.2175 162 E 4.4887 8.5494 126.1485 56.3750 29.7073 176.9010 163 M 4.3335 8.7755 125.5787 55.1197 33.0834 176.3646 164 T 4.4802 8.5342 111.6547 59.8065 70.6437 173.5453 165 P 4.3132 0.0000 0.0000 64.7958 31.8916 176.9712 166 Q 4.2070 7.7146 117.4514 55.3752 28.0294 177.1073 167 R 4.2200 8.6594 123.0459 58.0664 30.2966 178.1364 168 G 3.8080 7.9050 105.6210 46.5441 0.0000 174.0483 169 D 4.4236 7.7518 120.2463 54.3667 41.4224 175.6170 170 V 4.3372 8.7745 123.6824 61.6157 33.4390 173.9517 171 Y 5.4559 9.3094 125.9634 56.8717 40.7631 174.9445 172 T 5.3161 9.6534 119.4480 62.1537 73.0873 171.9005 173 C 4.4652 9.1918 127.1051 55.1858 42.9596 171.5160 174 H 5.3260 9.3306 127.4096 54.5214 31.5893 173.3017 175 V 4.8283 8.8166 125.9636 61.0544 34.5574 173.7783 176 E 4.9489 9.0601 127.3238 54.9275 32.3660 174.5246 177 H 5.0376 8.4398 121.7962 54.2495 33.0418 172.4592 178 P 4.1781 0.0000 0.0000 65.3312 31.6061 177.6951 179 S 4.4049 8.0790 111.2269 58.9716 63.6578 173.1734 180 L 4.9606 7.7017 122.3611 53.0925 43.0885 176.6539 181 Q 4.1775 8.7748 122.9700 57.9988 29.1425 176.7028 182 S 4.7583 7.5684 111.6747 55.4987 66.3049 171.9433 183 P 4.4694 0.0000 0.0000 63.0466 32.0815 175.7663 184 I 4.3503 8.4404 124.3676 60.5959 38.8471 174.9669 185 T 5.0418 8.3481 115.9103 59.8554 71.3948 173.1358 186 V 4.4756 8.6062 125.5111 61.0656 34.2941 174.1224 187 E 5.3685 8.8851 126.5555 54.9831 31.9388 175.1420 188 W 5.2259 9.5063 131.7623 56.2306 34.6852 173.5925 189 R 4.7498 7.4751 125.5586 54.2732 32.6154 174.2657 190 A 3.5102 8.3022 128.2836 52.4526 18.9996 177.4475 191 Q 4.0454 8.3297 117.7780 56.2313 28.8256 176.4103 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 3 S 8.33 4.44 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.16 0.00 2.09 1.99 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 5 E 8.57 4.23 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 6 D 7.57 4.64 0.00 2.47 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.47 4.71 0.00 3.11 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.61 4.62 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 9 F 8.98 5.61 0.00 3.24 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.41 4.41 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.20 2.20 0.00 11 F 8.55 4.84 0.00 2.85 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.99 4.02 0.00 1.40 1.43 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 1.12 7.81 13 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 8.67 4.52 0.00 1.56 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 15 C 8.45 5.20 0.00 2.85 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.82 4.66 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.92 5.43 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.71 4.55 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 19 N 9.44 4.33 0.00 2.97 2.80 0.00 0.00 7.12 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.65 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.35 4.46 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 22 E 8.32 3.98 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 23 R 8.06 4.64 0.00 1.97 1.80 0.00 3.11 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 24 V 8.38 4.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 1.07 0.00 0.00 25 R 8.82 4.62 0.00 1.82 1.68 0.00 3.11 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 26 L 9.06 5.18 0.00 1.82 1.60 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 V 9.16 4.98 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.91 0.00 0.00 28 T 9.07 4.83 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 29 R 8.48 5.03 0.00 1.53 1.77 0.00 3.02 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.49 0.00 30 Y 8.95 4.83 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.68 5.21 1.87 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 1.03 0.00 0.00 32 Y 9.39 5.06 0.00 3.20 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.71 4.08 0.00 2.70 2.22 0.00 0.00 6.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 9.28 4.52 0.00 1.76 1.90 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 35 E 8.44 4.58 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 36 E 8.93 4.54 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 37 Y 9.15 4.94 0.00 3.09 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.39 5.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 9.10 5.34 0.00 2.23 1.82 0.00 3.03 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 40 F 9.24 4.75 0.00 2.29 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.60 5.19 0.00 2.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 9.00 4.17 0.00 4.06 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.25 4.42 0.00 2.75 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.52 3.79 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.81 0.00 0.00 45 G 9.10 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 6.61 4.81 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0.00 0.00 0.00 0.00 0.00 63 S 7.66 4.67 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.49 4.33 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 65 K 8.58 3.81 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.53 7.81 66 E 8.11 3.88 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 67 V 7.59 3.46 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.82 0.00 0.00 68 L 8.11 4.05 0.00 1.92 1.71 1.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.55 4.08 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 70 G 7.93 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.97 3.99 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.04 0.00 0.00 72 R 7.92 3.97 0.00 2.02 2.04 0.00 3.19 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 73 A 8.03 4.15 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.93 4.31 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 75 L 7.55 3.95 0.00 1.97 1.73 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.96 4.42 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.25 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 78 V 7.95 4.12 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.97 0.00 0.00 79 C 8.05 4.57 0.00 3.39 3.18 0.00 0.00 0.00 0.00 0.00 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1.40 7.81 129 V 8.47 4.81 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.79 0.00 0.00 130 R 9.19 4.76 0.00 1.82 1.59 0.00 3.43 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 131 W 8.59 5.40 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.84 5.32 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 9.22 4.72 0.00 1.84 1.75 0.00 3.34 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.94 0.00 134 N 10.13 4.25 0.00 2.82 2.84 0.00 0.00 7.15 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.49 4.56 0.00 2.87 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 8.25 4.67 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 137 E 8.83 3.43 0.00 1.47 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.47 0.00 138 E 8.84 4.41 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 139 T 8.56 4.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 140 A 7.70 4.36 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.67 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.11 4.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.97 0.00 0.00 143 V 8.79 4.53 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 144 S 8.67 5.36 0.00 3.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 T 8.65 4.38 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 146 P 0.00 4.51 0.00 2.08 2.05 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 147 L 8.29 4.17 0.00 1.61 1.56 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 I 8.85 4.41 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.09 0.91 0.00 0.00 149 R 8.58 4.30 0.00 1.86 1.78 0.00 3.10 0.00 0.00 2.99 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.14 0.00 150 N 8.47 4.33 0.00 2.89 2.77 0.00 0.00 7.29 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.10 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 D 7.50 4.88 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.16 3.28 0.00 3.26 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.39 5.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 155 F 8.67 5.18 0.00 1.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.76 5.13 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 157 I 9.09 4.86 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 1.01 0.00 0.00 158 L 8.77 5.32 0.00 1.66 1.55 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.67 4.80 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.93 0.00 0.00 160 M 9.53 5.14 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 161 L 8.30 4.86 0.00 0.27 0.13 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.55 4.49 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 163 M 8.78 4.33 0.00 1.72 1.85 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 1.72 0.00 164 T 8.53 4.48 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 165 P 0.00 4.31 0.00 2.08 2.17 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 166 Q 7.71 4.21 0.00 2.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 167 R 8.66 4.22 0.00 1.83 2.02 0.00 3.23 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 168 G 7.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 D 7.75 4.42 0.00 2.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.77 4.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.91 0.00 0.00 171 Y 9.31 5.46 0.00 3.48 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 9.65 5.32 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 173 C 9.19 4.47 0.00 2.05 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 H 9.33 5.33 0.00 3.32 3.47 0.00 5.58 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 V 8.82 4.83 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.77 0.00 0.00 176 E 9.06 4.95 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 177 H 8.44 5.04 0.00 3.04 3.02 0.00 5.88 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.18 0.00 1.94 2.05 0.00 3.00 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 179 S 8.08 4.40 0.00 4.10 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 7.70 4.96 0.00 1.71 1.82 0.87 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 181 Q 8.77 4.18 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 182 S 7.57 4.76 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 P 0.00 4.47 0.00 1.76 1.73 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 184 I 8.44 4.35 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.86 0.00 0.00 185 T 8.35 5.04 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 186 V 8.61 4.48 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 187 E 8.89 5.37 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 188 W 9.51 5.23 0.00 3.53 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 R 7.48 4.75 0.00 1.72 1.50 0.00 3.43 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.84 0.00 190 A 8.30 3.51 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 8.33 4.05 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.