NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 3.9167 8.0544 114.0533 62.1086 33.3360 170.6898 4 S 3.8372 8.5389 123.8298 57.2400 63.6048 168.0541 5 E 3.9849 8.8456 128.3855 59.1552 30.2212 178.4300 6 S 4.0409 7.9555 112.9054 61.5508 62.4440 175.8332 7 Q 4.0057 7.5710 119.4789 58.8952 28.4596 178.5870 8 L 4.0497 7.6066 120.2517 58.0644 42.2712 178.6272 9 K 4.1043 7.8249 118.3166 59.1724 32.4452 178.6105 10 K 4.2942 7.7173 117.9280 56.6903 32.1419 178.3853 *12 V 3.9655 7.6452 110.6323 60.9189 32.9945 177.8031 13 S 4.1793 8.0243 117.4299 61.1710 62.6238 175.2661 14 K 4.4666 8.1302 117.5139 56.2160 31.5598 175.7066 15 Y 4.2620 8.2393 118.5881 56.9718 38.6591 177.0291 16 K 3.8687 8.2048 123.9553 58.9593 32.9909 177.2042 17 Y 4.9598 7.2938 112.0820 55.9699 38.2798 176.1445 18 R 4.0224 8.1312 123.4702 59.5296 30.8600 178.5300 19 D 4.4020 8.1651 118.0138 57.3691 40.9103 178.7040 20 L 4.0765 8.0246 118.9502 58.1455 41.7421 179.5615 21 T 4.1301 8.0588 115.4941 66.6376 68.3437 176.8570 22 V 3.5542 8.0128 120.2049 66.0295 31.5814 177.9920 23 R 3.9038 8.0458 118.3361 59.6196 30.0052 178.3132 24 E 4.0808 8.3390 118.3558 59.6868 29.4215 179.6050 25 T 3.8589 8.0522 115.8458 66.5249 68.5527 176.8501 26 V 3.5952 8.0863 120.5363 66.3319 31.5245 177.8648 27 N 4.3948 8.2331 116.0643 56.0871 38.2404 177.7351 28 V 3.7380 7.7253 119.8787 66.0432 31.6091 177.9959 29 I 4.1614 7.7246 110.2508 63.1469 37.6798 177.8271 30 T 4.0001 7.7263 117.8572 66.7361 68.3985 176.1077 31 L 4.2275 7.3337 118.7976 55.6239 42.9702 176.5374 32 Y 4.5494 7.9596 117.1627 55.8833 38.0187 176.0511 33 K 4.3019 8.3344 122.8563 58.1591 32.9922 177.7286 34 D 4.7508 8.1268 118.0328 54.1384 41.0635 175.0479 35 L 5.2685 7.6263 119.8456 53.1108 43.4557 176.2429 36 K 4.7724 8.9178 121.8696 54.4316 36.3379 173.5675 37 P 4.9562 0.0000 0.0000 62.7540 32.2110 175.5978 38 V 4.4634 8.5486 122.6719 61.1060 35.0409 173.7364 39 L 4.9443 8.4798 128.2170 53.7442 43.4948 175.0392 40 D 5.1017 9.1524 124.9452 52.7974 46.1569 174.4153 41 S 4.9553 8.7800 115.7457 58.3116 64.4362 172.5939 42 Y 3.9978 9.4121 126.7910 55.5351 40.4291 174.3005 43 V 4.6637 7.2348 126.4941 59.8232 33.0108 176.0020 44 F 4.4362 9.0978 124.8367 56.6600 39.5735 176.4001 45 N 4.4598 8.9268 119.7057 56.3072 38.3411 175.9913 46 D 4.5355 8.1811 115.1891 53.5094 39.9567 177.1407 47 G 3.9762 8.4909 110.0452 45.1908 0.0000 174.0867 48 S 4.5034 8.3767 114.8353 58.5671 64.4699 173.2352 49 S 5.3043 8.4731 114.1169 56.9579 65.4239 173.1365 50 R 4.8308 9.0852 123.9456 54.3712 34.8573 173.9717 51 E 4.6850 8.9486 123.6333 55.4219 30.0590 175.0733 52 L 5.1486 9.4948 131.2499 54.6891 45.7439 176.7745 *54 N 4.7320 8.7126 123.6061 53.7249 39.0772 172.9569 55 L 4.8986 8.4182 120.4872 53.6522 43.7432 175.6361 56 T 4.8031 9.4308 117.8359 60.2780 71.1368 174.2355 57 G 4.2510 7.0334 112.3869 45.9510 0.0000 171.7866 58 T 5.3441 8.0308 111.2757 59.7980 72.1629 173.5588 59 I 4.8128 8.3359 115.4683 58.4098 40.9177 172.5845 60 P 5.0848 0.0000 0.0000 62.4558 32.5932 175.5418 61 V 4.4369 8.9297 123.7330 60.2451 34.2767 172.6814 62 P 5.0312 0.0000 0.0000 62.8709 32.1967 175.9876 63 Y 4.6742 9.3466 125.1521 57.5320 41.7100 174.8280 64 R 3.3697 9.3332 126.8251 57.1661 27.5856 177.4001 65 G 3.9474 8.6597 106.7240 45.1516 0.0000 173.5852 66 N 4.8555 8.0010 116.6393 51.7891 41.0688 173.2321 67 T 5.0180 7.9893 115.3860 62.2398 70.8856 173.4647 68 Y 4.4637 9.2037 125.0234 56.4973 40.2649 174.9390 69 N 5.2061 8.8744 122.4213 52.1931 38.9827 173.9416 70 I 4.2920 8.5606 125.9589 59.5563 38.9327 173.6388 71 P 5.0689 0.0000 0.0000 62.6391 32.1634 175.3892 72 I 5.2356 8.9378 117.0687 59.1460 41.9193 173.6317 73 C 5.0435 9.2601 122.1431 57.6581 35.0796 172.4733 74 L 5.0613 8.8615 126.4092 52.9086 43.8952 175.2662 75 W 4.8578 9.1772 125.5014 55.4521 30.7958 175.6478 76 L 4.9017 8.5320 125.0667 52.9135 42.3611 176.8763 77 L 4.2495 8.6763 124.2597 54.5660 42.3262 177.7259 78 D 3.3744 8.4638 119.5685 54.8923 39.5544 177.3391 79 T 4.7086 7.7400 110.1425 61.6459 69.3102 173.7258 80 Y 4.2257 8.3004 124.6011 57.7871 39.1749 173.6923 81 P 2.9700 0.0000 0.0000 62.3977 31.5355 175.9433 82 Y 4.2994 7.9443 116.8395 59.4106 38.2836 175.2977 83 N 5.1248 7.7514 116.2178 50.2222 42.3001 172.3347 84 P 2.9700 0.0000 0.0000 61.1175 32.1820 174.4202 85 P 4.4963 0.0000 0.0000 62.7484 32.3007 176.0084 86 I 4.0195 8.3873 123.7861 60.8926 38.4830 174.7050 87 C 5.3322 8.2300 124.2403 57.9334 31.5941 173.0376 88 F 5.4989 9.0142 120.5150 55.7380 42.9727 174.1111 89 V 4.1887 9.1807 123.8901 62.9038 32.6126 175.2407 90 K 4.8412 8.5876 128.4861 53.4683 31.5406 173.9749 91 P 4.2690 0.0000 0.0000 62.6761 32.0893 177.2515 92 T 4.4084 7.9789 111.0667 59.9665 70.6809 174.7278 93 S 4.1890 8.5341 115.5779 60.9767 62.9189 174.5855 94 S 4.4595 7.4140 116.5871 58.2922 63.2889 173.7872 *96 T 3.9857 7.5942 115.9883 64.1820 70.2004 174.5416 97 I 4.1444 8.1503 126.7065 61.2835 37.9695 176.0087 98 K 4.6224 8.5473 129.8809 54.7783 31.4940 176.2861 99 T 4.2884 8.6055 116.7638 61.5751 69.5247 175.2512 100 G 4.0412 8.1987 108.5486 46.3360 0.0000 174.1177 101 K 3.6673 9.0840 118.3337 59.1545 32.3157 177.3632 102 H 5.2546 8.5203 112.5831 54.6104 30.1269 174.0345 103 V 5.5843 7.9218 119.5228 59.6875 34.3079 174.9207 104 D 5.2002 8.8182 123.7218 51.6536 41.5536 176.6536 105 A 4.0986 8.4991 120.8152 54.9630 18.3488 178.1637 106 N 4.5596 8.4073 111.7606 53.6141 39.1169 176.3532 107 G 4.1610 8.3707 107.1471 45.8926 0.0000 173.2546 108 K 4.2219 8.2348 121.8597 56.5174 33.3449 175.3795 109 I 5.0038 7.7857 127.9116 60.1616 38.9474 174.7432 110 Y 4.8059 9.1257 123.7401 56.2834 41.2474 174.9460 111 L 4.8765 8.5165 122.5866 51.5064 46.3597 175.0976 112 P 4.3542 0.0000 0.0000 66.2893 30.9600 178.3121 113 Y 4.0679 8.1371 116.8281 60.6472 38.8661 177.8826 114 L 4.4049 8.1098 119.5027 58.2204 41.7675 178.7622 115 H 4.3114 8.2388 116.4764 58.2719 29.7440 176.1263 116 E 4.6101 7.8833 118.4367 54.5456 30.3289 175.6661 117 W 3.8734 7.3359 129.9256 57.5723 31.2795 175.7414 118 K 4.1870 7.6311 125.3526 55.6693 34.5081 174.2311 119 H 4.2056 8.5262 127.0140 55.3482 30.3322 173.0526 120 P 3.8854 0.0000 0.0000 62.9537 31.9704 176.8507 121 Q 3.8997 7.7288 118.1161 58.4584 28.8545 176.6853 122 S 4.0300 7.3918 114.5308 57.0216 63.7261 173.5622 123 D 5.0472 8.6548 123.8245 50.8044 43.8884 176.4582 124 L 4.2213 9.1158 119.3885 57.9904 41.5221 179.6821 125 L 4.0894 8.0982 119.7594 58.1316 42.1631 178.8860 126 G 3.6194 8.8143 106.0617 47.7786 0.0000 175.1827 127 L 3.1453 7.6456 121.6109 57.7577 42.2009 178.9017 128 I 3.6431 7.4774 118.3752 64.3674 37.2729 178.2121 129 Q 4.1328 7.9201 119.0031 58.4929 28.4351 179.2590 130 V 3.5235 7.2233 117.3554 63.3412 31.5082 177.7154 *132 I 4.1108 7.7614 119.7255 60.8804 39.1108 178.3286 133 V 3.5793 7.7414 119.4021 65.8879 31.2392 178.3559 134 V 3.5998 7.9912 118.3370 66.1787 31.0126 178.1415 135 F 4.9175 7.4637 118.1689 59.7715 38.4928 177.7143 136 G 3.7666 8.0298 104.7985 47.3813 0.0000 174.9107 137 D 4.9188 7.7456 118.5057 54.8636 42.5469 176.6421 138 E 4.6101 8.3054 119.0888 52.7640 30.0067 171.7394 139 P 4.2585 0.0000 0.0000 61.7455 31.9776 175.6078 140 P 4.4586 0.0000 0.0000 63.7955 32.4744 175.6505 141 V 5.0825 7.3124 112.4821 59.5623 35.7618 174.5633 142 F 5.0665 8.2454 116.8319 54.4537 40.9208 175.2029 143 S 4.7230 8.9978 113.5025 58.3090 62.4643 174.2872 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 V 8.05 3.92 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 0.85 0.00 0.00 0.96 0.00 0.00 4 S 8.54 3.84 0.00 4.11 4.07 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 0.00 0.00 0.00 0.00 5 E 8.85 3.98 0.00 2.07 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 0.00 2.38 2.36 0.00 6 S 7.96 4.04 0.00 3.93 3.83 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 7 Q 7.57 4.01 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 8 L 7.61 4.05 0.00 1.76 1.89 0.86 0.50 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 9 K 7.82 4.10 0.00 1.90 1.98 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.55 7.81 10 K 7.72 4.29 0.00 1.97 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.70 7.81 *12 V 7.65 3.97 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.95 0.00 0.00 13 S 8.02 4.18 0.00 4.05 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 4.47 0.00 1.87 1.90 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.51 7.81 15 Y 8.24 4.26 0.00 3.34 3.02 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 16 K 8.20 3.87 0.00 1.55 0.74 0.00 1.48 0.00 0.00 1.31 0.00 0.00 2.61 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.22 7.81 17 Y 7.29 4.96 0.00 3.38 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 18 R 8.13 4.02 0.00 1.92 2.04 0.00 3.44 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 19 D 8.17 4.40 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 4.08 0.00 1.95 1.76 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.06 4.13 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 1.10 0.00 0.00 22 V 8.01 3.55 2.25 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 1.09 0.00 0.00 1.00 0.00 0.00 23 R 8.05 3.90 0.00 2.18 1.96 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 24 E 8.34 4.08 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 25 T 8.05 3.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 26 V 8.09 3.60 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 1.04 0.00 0.00 1.00 0.00 0.00 27 N 8.23 4.39 0.00 3.01 2.89 0.00 0.00 6.70 7.84 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 28 V 7.73 3.74 2.25 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 1.18 0.00 0.00 0.99 0.00 0.00 29 I 7.72 4.16 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.71 0.98 0.00 0.00 30 T 7.73 4.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 31 L 7.33 4.23 0.00 1.72 1.07 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.96 4.55 0.00 3.12 2.85 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 33 K 8.33 4.30 0.00 1.74 1.86 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.42 7.81 34 D 8.13 4.75 0.00 2.75 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 35 L 7.63 5.27 0.00 1.73 1.56 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.92 4.77 0.00 1.72 1.81 0.00 1.27 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.32 7.81 37 P 0.00 4.96 0.00 2.03 2.02 0.00 3.68 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 1.94 1.92 0.00 38 V 8.55 4.46 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 0.79 0.00 0.00 0.91 0.00 0.00 39 L 8.48 4.94 0.00 1.69 1.58 1.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 D 9.15 5.10 0.00 2.98 2.80 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 0.00 0.00 0.00 41 S 8.78 4.96 0.00 3.91 3.93 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 0.00 0.00 0.00 0.00 42 Y 9.41 4.00 0.00 2.06 2.27 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 43 V 7.23 4.66 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.81 0.00 0.00 44 F 9.10 4.44 0.00 3.34 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 8.93 4.46 0.00 2.80 2.94 0.00 0.00 6.95 8.06 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 46 D 8.18 4.54 0.00 2.78 2.80 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 0.00 0.00 0.00 47 G 8.49 3.98 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 0.00 0.00 0.00 48 S 8.38 4.50 0.00 3.94 4.03 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 49 S 8.47 5.30 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 9.09 4.83 0.00 1.99 1.85 0.00 3.35 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 51 E 8.95 4.69 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 52 L 9.49 5.15 0.00 2.08 1.69 0.79 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *54 N 8.71 4.73 0.00 2.10 1.96 0.00 0.00 5.90 6.67 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 55 L 8.42 4.90 0.00 1.45 1.52 0.85 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 T 9.43 4.80 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 57 G 7.03 4.25 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 0.00 58 T 8.03 5.34 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 59 I 8.34 4.81 1.75 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.71 0.00 0.00 60 P 0.00 5.08 0.00 2.19 2.19 0.00 3.90 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 61 V 8.93 4.44 2.35 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 1.21 0.00 0.00 1.10 0.00 0.00 62 P 0.00 5.03 0.00 2.08 2.06 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 63 Y 9.35 4.67 0.00 3.04 2.93 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 0.00 0.00 0.00 0.00 64 R 9.33 3.37 0.00 1.73 1.88 0.00 3.15 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 65 G 8.66 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 8.00 4.86 0.00 2.65 2.42 0.00 0.00 6.63 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.99 5.02 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 1.25 0.00 0.00 68 Y 9.20 4.46 0.00 3.01 2.93 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 0.00 0.00 0.00 0.00 69 N 8.87 5.21 0.00 2.63 2.83 0.00 0.00 7.12 7.45 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 70 I 8.56 4.29 1.95 0.00 0.00 0.71 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 0.80 0.82 0.00 0.00 71 P 0.00 5.07 0.00 2.32 2.19 0.00 3.36 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 72 I 8.94 5.24 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.91 1.03 0.00 0.00 73 C 9.26 5.04 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.86 5.06 0.00 1.45 1.46 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 75 W 9.18 4.86 0.00 3.25 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.53 4.90 0.00 1.71 1.63 0.51 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.68 4.25 0.00 1.79 1.62 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 78 D 8.46 3.37 0.00 2.20 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.74 4.71 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 80 Y 8.30 4.23 0.00 3.30 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 81 P 0.00 2.97 0.00 1.72 1.46 0.00 3.36 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.54 0.00 82 Y 7.94 4.30 0.00 3.08 3.02 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 83 N 7.75 5.12 0.00 2.66 2.62 0.00 0.00 6.98 8.02 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 84 P 0.00 2.97 0.00 1.76 1.42 0.00 3.62 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 85 P 0.00 4.50 0.00 1.82 1.88 0.00 3.02 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 86 I 8.39 4.02 1.84 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.78 0.00 0.00 87 C 8.23 5.33 0.00 2.68 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 88 F 9.01 5.50 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 9.18 4.19 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 0.91 0.00 0.00 0.90 0.00 0.00 90 K 8.59 4.84 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 91 P 0.00 4.27 0.00 2.11 1.98 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 92 T 7.98 4.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 93 S 8.53 4.19 0.00 3.98 4.03 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 94 S 7.41 4.46 0.00 4.16 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *96 T 7.59 3.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 97 I 8.15 4.14 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.39 1.00 0.00 0.00 98 K 8.55 4.62 0.00 2.16 1.83 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.49 7.81 99 T 8.61 4.29 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 1.26 0.00 0.00 100 G 8.20 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 101 K 9.08 3.67 0.00 1.67 1.69 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.46 7.81 102 H 8.52 5.25 0.00 3.40 3.57 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 V 7.92 5.58 2.20 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 0.56 0.00 0.00 1.00 0.00 0.00 104 D 8.82 5.20 0.00 3.03 3.07 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 0.00 0.00 0.00 0.00 105 A 8.50 4.10 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 N 8.41 4.56 0.00 3.05 2.97 0.00 0.00 7.12 7.80 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 0.00 107 G 8.37 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.23 4.22 0.00 1.92 2.03 0.00 1.59 0.00 0.00 1.43 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.73 0.88 7.81 109 I 7.79 5.00 1.79 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 0.95 0.00 0.00 110 Y 9.13 4.81 0.00 3.03 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 0.00 111 L 8.52 4.88 0.00 1.77 1.59 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.35 0.00 2.25 2.19 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 113 Y 8.14 4.07 0.00 2.96 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.11 4.40 0.00 1.97 1.73 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.24 4.31 0.00 3.24 3.41 0.00 5.91 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 7.88 4.61 0.00 2.02 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 117 W 7.34 3.87 0.00 3.54 2.93 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 0.00 0.00 0.00 0.00 118 K 7.63 4.19 0.00 1.74 1.40 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.32 7.81 119 H 8.53 4.21 0.00 2.87 2.69 0.00 5.97 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 3.89 0.00 1.95 1.70 0.00 3.67 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 121 Q 7.73 3.90 0.00 1.78 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 122 S 7.39 4.03 0.00 2.72 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 0.00 123 D 8.65 5.05 0.00 3.19 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 9.12 4.22 0.00 1.86 1.83 0.79 0.61 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 0.00 125 L 8.10 4.09 0.00 1.82 1.72 1.12 1.07 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 0.00 126 G 8.81 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.65 3.15 0.00 1.98 2.03 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.48 3.64 1.77 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 1.30 0.59 0.09 0.00 0.00 129 Q 7.92 4.13 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 130 V 7.22 3.52 1.84 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 0.94 0.00 0.00 0.79 0.00 0.00 *132 I 7.76 4.11 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.97 0.97 0.00 0.00 133 V 7.74 3.58 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 134 V 7.99 3.60 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 0.79 0.00 0.00 0.86 0.00 0.00 135 F 7.46 4.92 0.00 3.01 2.90 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 0.00 136 G 8.03 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 7.75 4.92 0.00 2.88 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 0.00 138 E 8.31 4.61 0.00 2.12 1.88 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 2.26 2.26 0.00 139 P 0.00 4.26 0.00 1.75 1.32 0.00 3.18 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.44 0.00 140 P 0.00 4.46 0.00 1.70 1.72 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.44 0.00 141 V 7.31 5.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.79 0.00 0.00 142 F 8.25 5.07 0.00 2.96 2.76 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 0.00 143 S 9.00 4.72 0.00 4.09 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.