NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4633 8.3193 115.4126 58.5454 63.7032 173.8157 2 K 4.0796 8.5741 115.8162 57.8255 33.7617 176.3785 3 Q 4.1051 8.8810 121.8620 54.9434 30.4425 176.1142 4 P 4.2423 0.0000 0.0000 65.9699 31.3516 177.9684 5 D 4.3785 8.1794 116.8227 57.8117 40.8065 179.1291 6 K 3.9511 8.0066 117.9521 59.5202 32.1508 179.2200 7 Q 3.9485 7.8242 118.2063 59.1303 28.7149 178.8927 8 R 3.9321 8.2786 119.0376 59.7990 30.1005 178.2798 9 K 3.8389 8.5147 119.5681 59.1543 31.7809 178.3758 10 S 4.0766 8.7435 116.9066 62.0161 63.1448 176.9005 11 Q 4.0748 8.0449 120.8790 59.0144 28.3954 178.7346 12 R 4.0385 8.2751 118.0244 58.4319 30.0439 177.8547 13 R 4.4940 7.6749 115.2661 55.5007 30.5445 175.7280 14 A 4.0580 7.7605 122.3577 51.3187 18.8784 176.8516 15 P 4.3625 0.0000 0.0000 62.7628 32.3910 176.9222 16 L 3.9146 8.7738 121.0769 58.7759 41.3274 179.8169 17 H 4.5429 8.3408 112.8305 58.3844 28.3830 176.1249 18 E 4.1836 7.6078 118.9854 56.9084 29.7727 177.6051 19 R 4.2515 8.2305 119.1662 57.7068 30.7092 177.8774 20 H 3.9773 8.1500 116.3440 58.6664 28.4013 177.0128 21 K 4.2146 7.9754 118.5677 58.8646 32.8029 177.9745 22 Q 4.4723 8.3379 118.5217 56.0853 29.0102 175.9027 23 V 4.5389 7.4555 112.9569 61.0489 33.8187 175.0061 24 R 4.9445 8.1332 119.1602 55.3669 31.1686 175.6866 25 A 4.8618 9.0801 124.3955 49.9703 23.0270 175.4385 26 T 4.4286 8.3450 113.4096 62.1437 68.8457 173.4414 27 L 4.9988 8.9372 127.1526 53.1802 43.7302 176.6219 28 S 4.3802 8.2979 116.6978 58.2381 64.1505 175.2800 29 A 3.9463 8.7417 121.2135 56.3345 18.3606 178.6333 30 D 4.1633 8.5263 115.6156 57.3906 40.6372 178.9189 31 L 4.1023 8.0632 119.1361 58.5243 42.2023 180.0166 32 R 4.4556 7.9898 119.0046 58.6471 29.7887 178.6892 33 E 3.9114 8.2956 118.1195 59.4565 29.8188 178.2973 34 E 3.9503 8.2736 117.1868 58.4235 29.7864 177.0093 35 Y 4.6814 8.0234 113.4329 56.4146 39.2589 175.8850 36 G 3.9759 8.3512 107.7157 46.4076 0.0000 173.5798 37 Q 4.6625 7.7381 116.4830 53.8684 32.8836 175.8951 38 R 4.2926 8.4754 118.9368 57.3319 31.2270 174.8776 39 N 5.3101 7.4467 113.1656 53.7371 40.4900 173.8853 40 V 4.7599 7.9022 115.3471 61.7826 35.1073 171.6394 41 R 4.4649 8.7352 123.2334 56.0598 30.0990 176.0594 42 V 3.7584 8.1141 126.9909 63.8219 31.7472 175.1208 43 N 4.9982 10.9000 124.4107 51.2117 40.8164 176.4797 44 A 4.5236 8.0173 121.6589 51.9645 17.7147 178.7150 45 G 4.1221 9.1164 107.5501 48.2591 0.0000 174.1216 46 D 4.8943 8.1056 119.4055 54.8064 42.5397 175.4209 47 T 5.1088 9.0448 117.1639 62.0400 71.3998 174.1251 48 V 5.0618 8.9042 124.0272 60.1241 35.8812 173.5121 49 E 5.1141 8.8863 119.0243 54.3946 32.1375 175.1860 50 V 4.1773 8.9269 124.0293 62.9042 32.4231 175.9782 51 L 4.7037 9.1165 127.0662 54.9364 42.0610 177.0552 52 R 4.6979 8.0314 114.6255 56.9601 36.3472 177.4870 53 G 4.1458 8.0189 105.6157 45.6521 0.0000 173.0048 54 D 4.5856 8.8496 120.6144 54.6849 41.7857 176.7373 55 F 4.5254 7.9258 117.0389 56.5149 39.9067 175.0839 56 A 3.9068 7.8239 124.2665 54.2495 18.3131 177.7939 57 G 4.1685 10.4422 111.8255 44.9308 0.0000 172.9013 58 E 4.8035 8.1123 117.3114 54.3296 33.3009 174.7046 59 E 5.1703 8.6884 122.7684 55.2289 32.1746 175.0524 60 G 4.0562 8.7222 108.5171 45.7472 0.0000 171.4211 61 E 4.6972 8.3873 120.9531 54.6408 30.9623 175.1007 62 V 4.1075 8.6860 127.3637 63.7540 31.9740 176.1351 63 I 4.2566 8.8906 129.4963 62.1305 37.9239 175.5419 64 N 4.5332 7.5765 118.4275 52.8253 42.2855 173.6485 65 V 4.6570 8.2053 123.3685 61.3614 34.1052 173.9124 66 D 4.6125 9.0558 129.8648 53.3018 41.3337 177.1382 67 L 4.1183 8.6149 126.8294 57.1768 42.3564 178.3687 68 D 4.3787 8.3168 117.6103 56.9460 41.2078 176.9366 69 K 4.1741 10.6251 114.2477 55.3965 33.0632 176.2495 70 A 3.8228 7.7576 120.6552 52.6437 15.6279 175.6980 71 V 4.8458 8.0383 121.2106 60.8284 36.4939 174.1372 72 I 5.1329 8.5925 116.8091 59.4215 41.4113 173.6562 73 H 5.1721 9.1543 120.9345 54.1032 31.2267 173.6207 74 V 4.7419 8.0321 122.4077 60.4071 34.6811 174.2000 75 E 3.9198 8.9388 127.7993 58.1993 29.6909 177.4740 76 D 4.5231 8.7589 123.1735 54.8571 39.7361 174.0101 77 V 3.4814 7.6238 124.2739 63.1794 32.5792 176.6390 *78 T 4.3280 7.9688 112.7021 60.4330 70.3493 173.6965 79 L 4.8064 8.3986 122.5602 52.9210 44.5261 174.8294 80 E 4.8120 8.3581 120.5345 54.1025 30.5028 175.8561 81 K 4.1655 8.5183 126.3587 56.5541 32.8383 178.1559 82 T 3.8585 8.6150 117.6202 67.1749 68.2838 175.6923 83 D 4.3581 8.0232 118.3597 54.8558 39.2626 177.1867 84 G 3.9812 8.1905 108.8521 45.0388 0.0000 173.7288 85 E 4.0724 8.7383 121.3295 56.4654 31.1234 175.5274 86 E 4.9979 8.7134 125.0884 54.9040 31.0376 175.3556 87 V 4.5419 8.1958 120.5111 58.9396 34.6950 173.7259 88 P 4.7963 0.0000 0.0000 62.4426 32.6823 175.2839 89 R 4.4352 7.7164 122.5545 54.0067 31.0522 174.2473 90 P 4.5548 0.0000 0.0000 62.7381 32.2487 175.7158 91 L 4.8396 8.6076 122.3978 52.9213 45.9745 174.7527 92 D 5.1245 8.4097 120.8915 52.9205 42.3224 177.2999 93 T 3.8161 8.8962 116.6109 64.6203 68.6448 175.7084 94 S 4.2146 8.6473 116.1128 60.3316 62.6829 173.9353 95 N 5.0187 8.8699 116.8257 53.0288 39.6783 174.1695 96 V 4.9112 7.7943 118.3317 61.0119 35.1936 174.6980 97 R 4.7912 8.5678 125.0787 54.1468 33.1861 174.6728 98 V 4.2336 8.6428 127.1610 63.5506 32.0219 176.1851 99 T 4.5641 9.0430 117.0793 61.8595 71.2635 173.8986 100 D 4.6705 7.8580 121.7312 53.0389 44.6637 173.7314 101 L 4.9471 8.5596 125.6533 53.3666 43.8724 175.7561 102 D 4.5855 8.8337 123.1432 52.7890 41.8527 175.7551 103 L 4.6790 8.1433 126.8131 54.4686 42.1694 178.5490 104 E 4.0065 8.3841 120.0236 58.2668 29.8036 176.5940 105 D 4.8707 7.8299 119.4388 52.1382 42.9105 176.2267 106 E 3.9671 9.0381 126.5927 59.6521 29.4277 179.2908 107 K 3.8648 8.2559 117.7357 59.6266 32.0539 179.1688 108 R 3.8262 8.3785 118.7232 59.2712 30.0661 178.0379 109 E 3.9751 8.3512 118.9701 59.2683 29.8064 178.5042 110 A 3.9906 8.6695 121.1767 55.1822 18.2245 179.4189 111 R 3.8330 7.9928 115.9885 59.6198 30.2365 178.2600 112 L 4.1495 8.3399 117.9381 58.1038 41.8606 179.2370 113 E 4.3426 8.7067 116.0982 57.8442 29.7259 177.9149 114 S 4.5624 7.7978 114.5712 57.9716 65.8377 172.9473 115 E 4.5674 8.4312 115.7338 57.0116 31.1387 176.1780 116 D 4.5687 8.1457 116.4259 54.7534 41.3514 174.8465 117 D 5.0362 7.4251 118.5528 52.0953 44.4750 174.3477 118 S 4.9652 8.3731 114.9168 56.3526 66.3838 173.9134 119 A 4.2219 9.3096 123.9671 52.5282 19.0580 176.0340 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 1 S 8.32 4.46 0.00 3.99 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 2 K 8.57 4.08 0.00 1.96 1.97 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.52 7.81 3 Q 8.88 4.11 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 4 P 0.00 4.24 0.00 2.15 2.11 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 5 D 8.18 4.38 0.00 2.76 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 6 K 8.01 3.95 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 7 Q 7.82 3.95 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 8 R 8.28 3.93 0.00 1.84 1.98 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 9 K 8.51 3.84 0.00 2.01 1.84 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 10 S 8.74 4.08 0.00 4.00 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 11 Q 8.04 4.07 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 12 R 8.28 4.04 0.00 2.00 2.00 0.00 3.12 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 13 R 7.67 4.49 0.00 1.76 1.90 0.00 3.16 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 14 A 7.76 4.06 1.28 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 0.00 0.00 0.00 15 P 0.00 4.36 0.00 2.23 2.06 0.00 3.61 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 16 L 8.77 3.91 0.00 1.70 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.34 4.54 0.00 3.37 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.61 4.18 0.00 1.98 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 2.21 2.01 0.00 19 R 8.23 4.25 0.00 1.85 1.89 0.00 3.10 0.00 0.00 3.47 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.89 0.00 20 H 8.15 3.98 0.00 3.16 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.98 4.21 0.00 1.90 1.94 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.51 7.81 22 Q 8.34 4.47 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.37 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 V 7.46 4.54 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 0.70 0.00 0.00 1.02 0.00 0.00 24 R 8.13 4.94 0.00 1.69 1.84 0.00 3.15 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 25 A 9.08 4.86 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 26 T 8.34 4.43 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 1.21 0.00 0.00 27 L 8.94 5.00 0.00 1.59 1.58 1.02 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.30 4.38 0.00 3.86 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 0.00 29 A 8.74 3.95 1.33 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 0.00 0.00 30 D 8.53 4.16 0.00 2.73 2.66 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 0.00 0.00 0.00 31 L 8.06 4.10 0.00 1.68 1.81 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.99 4.46 0.00 2.10 2.03 0.00 3.16 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.76 0.00 33 E 8.30 3.91 0.00 2.00 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 2.32 2.35 0.00 34 E 8.27 3.95 0.00 1.96 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 0.00 1.47 2.04 0.00 35 Y 8.02 4.68 0.00 2.91 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 36 G 8.35 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 37 Q 7.74 4.66 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 38 R 8.48 4.29 0.00 1.84 1.91 0.00 3.12 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 39 N 7.45 5.31 0.00 2.72 2.79 0.00 0.00 5.91 7.68 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 40 V 7.90 4.76 2.01 0.00 0.00 0.00 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 0.85 0.00 0.00 41 R 8.74 4.46 0.00 1.84 1.90 0.00 3.28 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 42 V 8.11 3.76 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 0.82 0.00 0.00 1.00 0.00 0.00 43 N 10.90 5.00 0.00 3.06 2.65 0.00 0.00 6.52 7.42 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 44 A 8.02 4.52 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 45 G 9.12 4.12 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 0.00 0.00 0.00 46 D 8.11 4.89 0.00 2.59 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.04 5.11 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 1.24 0.00 0.00 48 V 8.90 5.06 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 0.76 0.00 0.00 0.98 0.00 0.00 49 E 8.89 5.11 0.00 2.03 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 0.00 2.31 2.22 0.00 50 V 8.93 4.18 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 1.05 0.00 0.00 0.98 0.00 0.00 51 L 9.12 4.70 0.00 1.62 1.66 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.03 4.70 0.00 1.76 1.92 0.00 3.39 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 53 G 8.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.85 4.59 0.00 2.49 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 0.00 0.00 0.00 0.00 55 F 7.93 4.53 0.00 3.14 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 56 A 7.82 3.91 1.29 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 0.00 0.00 57 G 10.44 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.11 4.80 0.00 2.19 1.86 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 2.26 2.31 0.00 59 E 8.69 5.17 0.00 1.84 1.86 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 2.24 2.30 0.00 60 G 8.72 4.06 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 0.00 0.00 0.00 61 E 8.39 4.70 0.00 2.06 1.81 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 2.32 2.29 0.00 62 V 8.69 4.11 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 0.91 0.00 0.00 0.94 0.00 0.00 63 I 8.89 4.26 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 1.30 0.96 0.90 0.00 0.00 64 N 7.58 4.53 0.00 2.69 2.40 0.00 0.00 6.56 7.71 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 65 V 8.21 4.66 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 0.83 0.00 0.00 0.92 0.00 0.00 66 D 9.06 4.61 0.00 2.73 2.53 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 0.00 67 L 8.61 4.12 0.00 1.63 1.65 0.79 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.32 4.38 0.00 2.62 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 69 K 10.63 4.17 0.00 1.78 1.82 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.36 7.81 70 A 7.76 3.82 1.28 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 0.00 0.00 0.00 71 V 8.04 4.85 2.10 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 1.08 0.00 0.00 0.95 0.00 0.00 72 I 8.59 5.13 1.96 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 1.37 0.67 0.91 0.00 0.00 73 H 9.15 5.17 0.00 3.13 3.21 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.03 4.74 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 0.97 0.00 0.00 0.90 0.00 0.00 75 E 8.94 3.92 0.00 2.02 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 2.33 2.32 0.00 76 D 8.76 4.52 0.00 2.89 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 77 V 7.62 3.48 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 0.12 0.00 0.00 0.83 0.00 0.00 *78 T 7.97 4.33 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 1.21 0.00 0.00 79 L 8.40 4.81 0.00 1.63 1.62 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.36 4.81 0.00 1.91 1.86 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 2.19 2.57 0.00 81 K 8.52 4.17 0.00 2.05 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 82 T 8.61 3.86 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 1.21 0.00 0.00 83 D 8.02 4.36 0.00 2.76 2.82 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 0.00 0.00 0.00 0.00 84 G 8.19 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 85 E 8.74 4.07 0.00 2.04 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 2.31 2.27 0.00 86 E 8.71 5.00 0.00 1.99 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 0.00 2.19 2.46 0.00 87 V 8.20 4.54 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 0.65 0.00 0.00 0.92 0.00 0.00 88 P 0.00 4.80 0.00 1.82 1.97 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 89 R 7.72 4.44 0.00 1.72 1.63 0.00 3.29 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.40 0.00 90 P 0.00 4.55 0.00 1.94 1.94 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 91 L 8.61 4.84 0.00 1.53 1.48 0.82 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.41 5.12 0.00 2.72 2.53 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 0.00 93 T 8.90 3.82 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 1.25 0.00 0.00 94 S 8.65 4.21 0.00 3.91 3.97 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 0.00 0.00 0.00 95 N 8.87 5.02 0.00 2.63 2.79 0.00 0.00 6.21 8.33 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 96 V 7.79 4.91 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 0.73 0.00 0.00 0.96 0.00 0.00 97 R 8.57 4.79 0.00 1.90 1.71 0.00 3.16 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 98 V 8.64 4.23 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 0.90 0.00 0.00 0.95 0.00 0.00 99 T 9.04 4.56 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 1.32 0.00 0.00 100 D 7.86 4.67 0.00 2.70 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 0.00 101 L 8.56 4.95 0.00 1.47 1.46 0.54 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.83 4.59 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.14 4.68 0.00 1.75 1.64 1.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.38 4.01 0.00 2.02 2.03 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 2.35 2.51 0.00 105 D 7.83 4.87 0.00 2.76 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 9.04 3.97 0.00 2.05 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 2.41 2.42 0.00 107 K 8.26 3.86 0.00 2.17 1.86 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.64 7.81 108 R 8.38 3.83 0.00 1.95 2.00 0.00 3.06 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 109 E 8.35 3.98 0.00 2.10 2.10 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 2.37 2.52 0.00 110 A 8.67 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.83 0.00 2.12 2.10 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 112 L 8.34 4.15 0.00 1.90 1.76 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.71 4.34 0.00 2.09 2.03 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 2.27 2.68 0.00 114 S 7.80 4.56 0.00 4.08 4.06 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 0.00 115 E 8.43 4.57 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.36 0.00 116 D 8.15 4.57 0.00 2.70 2.75 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 0.00 117 D 7.43 5.04 0.00 2.78 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.97 0.00 3.96 3.78 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 0.00 0.00 0.00 119 A 9.31 4.22 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.