NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0092 7.7274 117.5933 55.5402 32.1934 175.5304 2 G 3.9976 8.6578 110.1255 45.3371 0.0000 170.6794 3 R 4.8444 8.6631 119.0606 53.8367 33.6148 174.3267 4 E 4.1766 9.1422 122.8861 56.3586 30.5810 175.8425 5 L 4.8342 8.3554 124.8238 53.4912 42.9808 176.0708 6 S 4.3451 8.3730 116.7876 56.4255 67.2125 172.7445 7 F 5.1903 8.0273 118.0053 55.8493 43.1782 173.7996 8 F 5.0453 9.6834 121.2813 55.8093 42.3282 173.8077 9 L 5.1572 8.6801 124.0968 52.8047 43.0687 176.7440 10 Q 4.3487 9.0002 123.4219 56.1189 29.4116 177.3522 11 K 4.5105 9.0534 120.6389 57.3926 34.3799 177.3815 12 E 4.2369 8.7890 118.3982 57.7433 29.5948 176.6006 *13 S 4.4637 7.5029 113.2165 57.8583 66.3522 180.9968 14 A 4.6920 8.4307 123.1130 51.8057 17.6665 175.1882 15 G 4.1562 7.5510 109.1274 44.6173 0.0000 170.2903 16 F 5.6344 7.4937 113.3528 55.9824 41.1824 173.4777 17 F 4.9652 9.9694 117.5393 55.6281 42.7579 173.8979 18 L 5.0673 9.0112 124.8692 53.3899 43.7779 175.4169 19 G 4.2971 8.9824 114.1346 44.3007 0.0000 172.2882 20 M 4.9469 8.3293 123.0205 53.3696 35.0671 175.5761 21 D 4.4269 8.9508 125.9758 54.7749 39.4149 174.5148 22 A 4.1078 7.2002 117.9591 51.3170 19.2847 176.8279 23 P 4.2953 0.0000 0.0000 62.1824 32.1035 175.9523 24 A 4.1487 8.3739 124.6842 53.9599 18.6721 178.2317 25 G 3.9924 8.8863 109.3764 45.2710 0.0000 174.1545 26 S 4.3009 7.7529 116.0335 58.7619 63.4064 173.8077 27 S 4.9927 8.1744 116.9506 56.6576 66.3589 173.0650 28 V 4.0384 8.6784 121.9549 60.9784 33.6471 173.9416 29 A 5.1946 8.3985 130.0464 50.4336 20.3795 175.9379 30 C 4.7005 8.7266 117.5655 57.6918 33.7509 173.9304 31 G 3.8692 8.5233 113.2849 47.1148 0.0000 174.1366 32 S 4.7775 9.0855 116.2406 57.3678 63.1776 173.2004 33 E 4.7759 8.3778 118.1949 55.0674 32.1394 174.4880 34 V 4.8439 8.1892 118.7017 61.2427 34.1683 174.3236 35 L 4.9184 9.2287 128.1692 53.1557 44.0482 175.8938 36 R 5.2829 8.5437 120.8538 53.6948 33.8642 175.3278 37 A 3.2971 8.4421 122.4582 52.2646 18.7488 177.5957 38 V 3.8643 8.1923 123.8710 61.6764 32.1704 174.3216 39 P 4.3543 0.0000 0.0000 63.0387 32.0826 175.7639 40 V 4.0818 8.0842 121.6486 62.9796 32.4493 175.7477 41 G 2.9507 7.6551 116.4315 45.2881 0.0000 171.7318 *46 A 4.3037 8.0849 125.7062 51.3721 19.8596 179.1904 47 K 3.5315 8.7042 119.8017 61.7280 32.2525 178.3978 48 E 3.7989 8.1496 119.2035 58.4271 29.5438 177.7767 49 K 4.5959 7.2251 113.7205 56.3682 32.8552 176.0597 50 H 4.6420 7.0946 114.8261 55.3739 31.4157 174.7723 51 I 4.0958 7.5191 119.8959 60.2947 37.3149 174.8103 52 P 4.5821 0.0000 0.0000 62.8648 32.3925 175.6145 53 V 4.3523 8.8519 122.9902 61.2152 33.7197 174.2688 54 V 4.9143 8.4176 127.3398 61.1613 33.6213 174.2779 55 E 4.7165 9.3234 127.2063 54.4913 32.9089 174.7762 56 V 4.6276 8.3635 123.9782 61.5356 33.7570 174.9538 57 H 4.7594 9.2172 125.0134 54.4351 31.4585 175.5931 58 G 3.8814 8.4176 117.6837 47.3026 0.0000 172.4770 59 H 4.7065 9.1966 122.5883 55.3183 29.3128 173.3275 60 E 5.1823 8.2493 120.4530 54.6896 32.1494 175.2032 61 V 4.8165 9.0551 123.6571 61.1395 34.2604 173.9971 62 K 4.8978 9.0986 130.7636 55.2514 33.9653 175.1011 63 V 4.8725 9.0346 128.1740 61.2686 33.7295 174.2330 64 K 5.0122 8.8643 127.5639 54.7804 34.7257 175.6710 65 V 4.4489 8.8999 124.8595 60.5332 33.2227 174.0690 66 G 4.4943 8.6532 120.8951 45.1974 0.0000 173.9286 67 S 4.2046 8.8946 117.3015 60.3440 62.9312 174.0755 68 V 4.4634 7.8331 119.0339 60.3336 33.9980 175.0722 69 A 4.4045 8.5060 129.2300 52.3989 18.6176 176.8432 70 H 4.2458 8.9053 123.8318 54.9938 30.4526 173.4775 71 P 4.2981 0.0000 0.0000 63.7414 31.8909 175.5906 72 M 5.0908 8.2148 119.5625 53.4644 32.8855 174.2503 73 T 4.7787 8.7895 112.3000 58.4617 72.3912 174.3395 74 P 4.2490 0.0000 0.0000 65.4035 31.3570 177.4984 75 E 4.4197 7.6798 115.0458 57.3319 30.2911 175.7034 76 H 4.9414 8.3277 119.6123 55.7217 32.8746 171.7787 77 Y 5.3469 8.5795 123.3057 56.4386 41.9311 173.5521 78 I 4.3748 8.2947 121.0446 60.3335 37.7870 176.0171 79 A 4.4704 9.1336 131.7176 54.6491 19.1763 176.7029 80 W 5.3996 7.1019 109.9474 55.9434 31.5243 173.5386 81 V 5.2112 9.1411 120.5223 61.4407 34.2450 173.5469 82 C 5.3165 9.7812 128.0955 57.5907 34.1214 171.8666 83 L 4.9832 8.5528 127.9953 53.0507 44.4214 174.5485 84 K 5.0855 9.1627 127.9760 55.0341 34.2734 175.0374 85 T 5.1396 8.7276 116.9813 59.5993 71.9996 174.3427 86 R 4.1198 9.0973 120.6129 58.8790 30.1008 179.1753 87 K 4.3141 8.3446 115.7836 56.9815 33.2978 176.6248 88 G 4.0509 7.1642 105.4312 45.3833 0.0000 171.8379 89 I 5.1836 8.3595 112.2314 59.3642 40.8024 174.9306 90 Q 4.7741 9.0835 121.7354 54.4205 33.4831 173.9607 91 L 5.2778 8.5415 122.6811 53.7702 45.3222 175.2107 92 K 4.8437 9.4116 125.0689 54.5725 35.7518 175.7148 93 E 4.8784 9.0667 123.5547 56.3962 30.6606 175.8829 94 L 4.7725 8.5545 122.7774 52.1292 43.8808 175.0438 95 P 4.2601 0.0000 0.0000 62.8563 31.7490 177.8731 96 V 3.6324 8.4060 122.7205 63.8835 31.5920 176.4567 97 D 4.7852 8.0778 118.5302 52.8443 39.8052 176.4265 98 G 4.2429 7.4804 110.1488 44.6285 0.0000 173.4931 99 A 4.3456 8.2932 122.6825 51.0631 20.2916 176.4091 100 P 4.8457 0.0000 0.0000 61.1033 29.4728 174.7746 101 E 5.3501 7.6402 116.7965 56.3970 32.9691 176.3443 102 V 4.4773 8.5742 119.0551 61.1577 35.1409 172.5749 103 T 5.1322 8.1707 117.7663 61.8928 71.4817 173.3929 104 F 4.9990 9.4583 123.0427 55.5801 43.0155 173.9376 105 A 5.3311 8.7594 121.5496 50.2820 21.4578 175.6353 106 L 5.0163 8.9495 121.0229 52.7588 45.0478 177.0515 107 T 4.1341 8.4668 111.3993 61.2029 69.5892 175.4224 108 A 4.2166 8.5308 125.4225 54.9447 18.5068 178.3080 109 D 4.5800 8.0641 113.0684 54.0263 40.1307 175.4711 110 D 4.9908 7.6647 119.8397 53.2758 43.5917 175.0306 111 Q 4.7435 8.1481 121.6868 54.2956 32.6599 173.9782 112 V 3.9764 8.4977 125.5318 62.3467 31.8950 174.7685 113 L 4.6189 8.7154 122.3517 55.9575 43.5121 176.2442 114 E 4.7137 7.7625 116.7268 55.1029 33.1434 173.1545 115 A 5.2927 8.7072 125.5124 50.3627 22.9448 174.7165 116 Y 5.4347 9.2038 116.6160 56.2894 42.4672 174.5777 117 E 5.0543 9.2723 119.3375 54.6542 33.9231 173.6864 118 F 4.6351 7.5375 123.0420 56.4179 41.8691 173.4207 119 C 4.5822 8.1484 127.1403 57.1513 32.8040 174.4151 120 N 3.8617 7.6049 123.5598 55.2618 37.1154 176.2450 121 L 4.0879 7.5276 117.5785 56.5502 42.2199 176.9968 122 H 4.8029 7.8533 111.5100 54.8642 30.2196 176.1273 123 G 3.8842 7.8275 108.6976 45.1678 0.0000 172.2293 124 V 4.8139 8.0168 119.0533 61.5195 33.7692 176.3274 125 W 5.2943 9.2133 126.2299 54.8841 33.2706 174.3746 126 S 5.1465 8.5270 116.9798 56.9245 65.7239 172.9285 127 G 4.0702 8.3080 105.3662 45.8176 0.0000 174.0966 128 K 4.2543 8.5525 119.1356 56.2900 32.5340 176.5018 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 M 7.73 5.01 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 2 G 8.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.66 4.84 0.00 1.65 1.80 0.00 3.35 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 4 E 9.14 4.18 0.00 1.87 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 2.32 2.43 0.00 5 L 8.36 4.83 0.00 0.93 0.83 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.37 4.35 0.00 3.43 3.70 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 7 F 8.03 5.19 0.00 3.06 3.05 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 0.00 0.00 0.00 8 F 9.68 5.05 0.00 3.13 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.68 5.16 0.00 1.44 1.43 -0.07 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 9.00 4.35 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.56 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 11 K 9.05 4.51 0.00 1.94 1.89 0.00 1.82 0.00 0.00 1.82 0.00 0.00 3.18 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.58 7.81 12 E 8.79 4.24 0.00 2.17 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 2.38 2.30 0.00 *13 S 7.50 4.46 0.00 3.57 3.58 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 14 A 8.43 4.69 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.55 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 16 F 7.49 5.63 0.00 3.02 3.10 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 17 F 9.97 4.97 0.00 3.02 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 18 L 9.01 5.07 0.00 1.77 1.65 0.64 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.33 4.95 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 21 D 8.95 4.43 0.00 2.74 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 22 A 7.20 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.30 0.00 2.19 1.99 0.00 3.60 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 24 A 8.37 4.15 1.24 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 0.00 0.00 0.00 25 G 8.89 3.99 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 0.00 0.00 0.00 26 S 7.75 4.30 0.00 4.08 3.72 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 27 S 8.17 4.99 0.00 3.79 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 28 V 8.68 4.04 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 -0.49 0.00 0.00 -0.10 0.00 0.00 29 A 8.40 5.19 1.17 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 30 C 8.73 4.70 0.00 3.17 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 31 G 8.52 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 32 S 9.09 4.78 0.00 4.00 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 33 E 8.38 4.78 0.00 2.15 2.24 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 2.48 2.25 0.00 34 V 8.19 4.84 2.09 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 0.84 0.00 0.00 0.92 0.00 0.00 35 L 9.23 4.92 0.00 1.68 1.73 1.10 0.81 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 36 R 8.54 5.28 0.00 1.68 1.84 0.00 3.25 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 37 A 8.44 3.30 0.81 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 38 V 8.19 3.86 2.13 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 0.84 0.00 0.00 0.93 0.00 0.00 39 P 0.00 4.35 0.00 2.00 1.98 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 40 V 8.08 4.08 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 0.95 0.00 0.00 1.08 0.00 0.00 41 G 7.66 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 0.00 0.00 0.00 *46 A 8.08 4.30 0.95 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 47 K 8.70 3.53 0.00 1.82 1.82 0.00 1.59 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.63 1.69 7.81 48 E 8.15 3.80 0.00 1.91 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 2.30 2.28 0.00 49 K 7.23 4.60 0.00 1.52 1.56 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.24 7.81 50 H 7.09 4.64 0.00 1.47 1.73 0.00 5.95 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.52 4.10 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.46 0.93 0.00 0.00 52 P 0.00 4.58 0.00 2.08 2.07 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.99 0.00 53 V 8.85 4.35 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 0.92 0.00 0.00 0.93 0.00 0.00 54 V 8.42 4.91 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 0.88 0.00 0.00 0.92 0.00 0.00 55 E 9.32 4.72 0.00 1.93 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 2.21 2.22 0.00 56 V 8.36 4.63 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 0.79 0.00 0.00 0.92 0.00 0.00 57 H 9.22 4.76 0.00 3.22 3.20 0.00 6.00 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.42 3.88 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 0.00 0.00 0.00 59 H 9.20 4.71 0.00 3.22 3.59 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.25 5.18 0.00 2.10 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 2.43 2.29 0.00 61 V 9.06 4.82 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 1.07 0.00 0.00 0.98 0.00 0.00 62 K 9.10 4.90 0.00 1.92 1.72 0.00 1.85 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 63 V 9.03 4.87 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 1.05 0.00 0.00 1.15 0.00 0.00 64 K 8.86 5.01 0.00 1.75 1.68 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.38 7.81 65 V 8.90 4.45 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 0.93 0.00 0.00 0.92 0.00 0.00 66 G 8.65 4.49 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 0.00 0.00 0.00 67 S 8.89 4.20 0.00 3.85 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.83 4.46 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 0.93 0.00 0.00 0.92 0.00 0.00 69 A 8.51 4.40 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.91 4.25 0.00 3.25 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.30 0.00 1.86 1.91 0.00 2.71 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 72 M 8.21 5.09 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.64 0.00 73 T 8.79 4.78 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 1.22 0.00 0.00 74 P 0.00 4.25 0.00 2.10 2.18 0.00 3.69 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 2.04 2.12 0.00 75 E 7.68 4.42 0.00 2.14 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 2.33 2.27 0.00 76 H 8.33 4.94 0.00 3.17 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.58 5.35 0.00 3.07 3.18 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 0.00 78 I 8.29 4.37 1.85 0.00 0.00 0.37 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 0.68 0.88 0.00 0.00 79 A 9.13 4.47 1.53 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 0.00 0.00 80 W 7.10 5.40 0.00 3.43 3.18 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 0.00 81 V 9.14 5.21 2.46 0.00 0.00 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 1.08 0.00 0.00 82 C 9.78 5.32 0.00 2.91 3.01 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 0.00 0.00 0.00 0.00 83 L 8.55 4.98 0.00 0.48 0.79 0.77 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.16 5.09 0.00 2.09 1.91 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.41 7.81 85 T 8.73 5.14 4.53 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 1.18 0.00 0.00 86 R 9.10 4.12 0.00 2.03 2.03 0.00 3.11 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 87 K 8.34 4.31 0.00 1.96 1.87 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.61 1.70 7.81 88 G 7.16 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.36 5.18 1.86 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 1.34 0.77 0.90 0.00 0.00 90 Q 9.08 4.77 0.00 1.73 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 91 L 8.54 5.28 0.00 1.49 1.46 -0.55 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.41 4.84 0.00 1.71 1.63 0.00 0.93 0.00 0.00 1.41 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.51 7.81 93 E 9.07 4.88 0.00 1.95 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 2.53 2.65 0.00 94 L 8.55 4.77 0.00 1.72 1.62 1.07 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.26 0.00 2.17 1.99 0.00 3.61 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 2.12 2.10 0.00 96 V 8.41 3.63 1.76 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 0.63 0.00 0.00 0.62 0.00 0.00 97 D 8.08 4.79 0.00 2.78 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 98 G 7.48 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 0.00 0.00 0.00 0.00 99 A 8.29 4.35 1.24 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 0.00 0.00 0.00 100 P 0.00 4.85 0.00 2.31 2.23 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 101 E 7.64 5.35 0.00 2.09 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 0.00 2.18 2.30 0.00 102 V 8.57 4.48 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 0.73 0.00 0.00 0.68 0.00 0.00 103 T 8.17 5.13 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 1.27 0.00 0.00 104 F 9.46 5.00 0.00 3.03 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 0.00 105 A 8.76 5.33 1.24 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 0.00 0.00 0.00 106 L 8.95 5.02 0.00 1.61 1.60 0.99 0.94 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 0.00 107 T 8.47 4.13 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 108 A 8.53 4.22 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 0.00 109 D 8.06 4.58 0.00 2.81 2.81 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 0.00 110 D 7.66 4.99 0.00 2.73 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 0.00 111 Q 8.15 4.74 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 112 V 8.50 3.98 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 0.75 0.00 0.00 0.90 0.00 0.00 113 L 8.72 4.62 0.00 1.67 1.73 1.01 0.96 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 0.00 114 E 7.76 4.71 0.00 1.95 1.70 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 1.53 2.19 0.00 115 A 8.71 5.29 1.18 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 0.00 0.00 0.00 116 Y 9.20 5.43 0.00 3.03 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 0.00 117 E 9.27 5.05 0.00 1.93 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 2.16 2.34 0.00 118 F 7.54 4.64 0.00 1.51 1.45 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 0.00 119 C 8.15 4.58 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 7.60 3.86 0.00 2.59 1.92 0.00 0.00 6.99 7.81 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 0.00 121 L 7.53 4.09 0.00 1.30 1.37 0.64 0.95 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 0.00 122 H 7.85 4.80 0.00 2.95 3.37 0.00 5.95 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.83 3.88 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 0.00 0.00 0.00 124 V 8.02 4.81 2.09 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 1.09 0.00 0.00 0.94 0.00 0.00 125 W 9.21 5.29 0.00 3.49 3.11 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 0.00 0.00 0.00 0.00 126 S 8.53 5.15 0.00 3.44 3.79 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 0.00 127 G 8.31 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 0.00 0.00 0.00 128 K 8.55 4.25 0.00 1.70 1.67 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.