NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2228 8.3101 120.1366 55.7963 34.0777 175.3026 3 A 4.3327 7.6851 122.1355 50.0985 19.9824 174.3000 4 E 4.0099 9.3724 120.9015 56.7447 31.1450 175.8114 5 T 3.9993 8.5183 119.3668 64.3771 69.0636 173.1595 6 S 5.0793 8.6768 119.8190 56.6929 67.1646 171.8206 7 I 4.8794 8.5070 122.6641 59.0374 40.9658 174.2631 8 G 4.1544 9.2900 117.2781 45.3864 0.0000 172.5305 9 V 5.0759 8.4225 125.2851 61.2240 33.9437 174.1714 10 F 5.5373 9.8182 128.0064 56.0551 41.8712 174.3060 11 Y 5.0910 8.5298 120.3798 56.3727 42.0865 173.6577 12 V 4.6646 8.5038 119.8612 60.0358 32.5647 176.0084 13 S 4.5469 8.6644 121.0786 59.5227 63.2610 174.6387 14 E 3.7425 10.4666 121.3312 57.0398 28.1860 173.7397 15 Y 4.5990 7.9676 122.0411 56.9650 39.9213 174.7545 16 G 3.4042 8.2898 117.7288 47.3517 0.0000 173.6529 17 Y 4.5788 8.3950 121.5523 58.1845 38.4530 177.4203 18 S 4.3182 7.9164 119.5344 62.0546 62.9874 176.2687 19 D 4.4662 8.2154 120.7143 57.7656 40.6846 179.1247 20 R 3.8243 7.9248 117.8229 58.8753 30.2599 178.9781 21 L 3.9252 8.3244 119.1511 57.6965 41.5835 179.4239 22 A 3.4995 7.7768 121.0899 54.8706 18.1468 179.3983 23 Q 3.8556 7.9242 117.8981 59.1335 29.1786 178.5018 24 A 3.8559 7.7426 121.7297 55.1350 18.4640 179.6344 25 I 3.7378 7.3352 117.8228 64.6386 37.1644 178.6756 26 I 3.7149 8.0716 120.9529 64.5718 36.7929 178.1916 27 N 4.4975 8.3882 117.4298 56.3012 38.2416 177.7241 28 G 3.5683 7.9247 106.8577 47.5706 0.0000 176.0322 29 I 3.8804 7.7316 122.1087 64.6547 37.0896 178.3898 30 T 3.8923 8.3275 116.9828 66.8549 68.0369 176.4977 31 K 3.9204 7.6426 119.6450 59.4283 32.1538 178.4404 32 T 4.3148 7.8266 107.3329 61.4407 69.1621 175.6547 33 G 3.8761 8.0458 110.0156 45.9251 0.0000 173.7554 34 V 3.9526 7.2735 118.7359 61.5825 32.4791 176.1126 35 G 4.1416 8.3227 114.2115 46.3378 0.0000 172.3028 36 V 5.1928 7.8919 117.6402 60.3961 34.4922 173.6604 37 D 4.8664 8.8368 122.6148 52.6098 43.8607 174.7914 38 V 4.5871 8.3764 123.6503 61.2787 33.5301 174.9892 39 V 4.3150 8.2696 127.0401 61.0011 33.2903 173.5328 40 D 4.8403 8.5194 127.6494 53.4091 41.6570 176.7582 41 L 4.0697 8.8816 127.4204 57.1290 41.5993 178.9459 42 G 3.6322 7.8443 106.6550 47.3727 0.0000 174.2316 43 A 4.2592 7.7279 122.1409 50.5491 19.4659 177.0148 44 A 4.1006 8.5515 125.2815 52.8320 18.9476 177.3414 45 V 4.4494 7.8928 113.6514 58.5679 35.6775 175.7722 46 D 4.4562 8.5198 121.5440 54.0377 41.8257 176.7870 47 L 3.9483 8.6731 128.4570 58.2672 41.6315 179.3611 48 Q 4.0336 8.3838 119.5801 58.8744 29.0448 177.7600 49 E 4.2742 8.3411 118.1377 58.8835 29.9871 178.6076 50 L 4.0877 8.2496 121.9444 58.0575 42.1258 179.1008 51 R 4.0853 7.9183 119.2645 58.6611 29.7669 178.8502 52 E 4.0236 7.8968 117.3116 59.0630 29.8434 178.9240 53 L 4.1348 8.1265 120.4335 58.2885 42.3352 179.0955 54 V 3.8966 7.9506 118.2722 66.1419 31.1879 178.0937 55 G 3.7861 8.2020 104.7371 47.0812 0.0000 174.7574 56 R 4.5213 7.5164 114.9746 55.1640 30.2004 175.5240 57 C 4.8304 7.4250 117.4008 59.3205 29.5322 173.8826 58 T 4.3679 8.8038 120.8110 65.0385 69.6090 174.8943 59 G 4.4871 8.1736 106.8030 44.3635 0.0000 171.8245 60 L 5.5995 8.6958 119.3582 52.9308 46.6555 175.8487 61 V 4.9335 9.5134 121.9248 61.4142 34.9367 174.0325 62 I 5.0527 9.1393 128.8126 58.9865 40.0205 174.5359 63 G 3.1424 8.8266 113.5727 46.3807 0.0000 173.7826 *65 S 4.5024 8.5491 120.5428 57.3768 65.0394 171.1522 66 P 4.5460 0.0000 0.0000 62.3705 31.8859 177.4914 67 A 4.6176 9.6570 125.5639 53.0108 18.3314 178.0313 68 A 4.3837 7.3839 117.5553 52.8454 19.7410 178.4561 69 S 4.6329 7.7275 111.6752 58.2536 63.2998 176.0026 70 A 3.8872 8.0384 122.6852 55.5778 17.5932 179.7709 71 A 3.9345 7.9635 117.7260 55.6476 18.5429 179.7101 72 S 4.2016 7.9131 110.2510 61.2173 63.6762 175.7607 73 I 3.9236 8.0482 122.4565 63.6160 37.8422 177.5035 74 Q 4.1271 8.4885 119.4647 58.7517 28.3983 179.4893 75 G 3.5572 8.0540 106.1335 47.8304 0.0000 175.5044 76 A 4.0110 7.8852 123.4955 54.3874 18.5004 179.1991 77 L 3.8421 7.7963 118.6649 58.5946 42.2684 179.4383 78 S 4.0938 8.4551 115.3741 61.9155 62.4757 176.9175 79 T 3.9003 7.5123 117.2434 66.6034 68.4863 176.5609 80 I 3.7999 7.6923 121.8211 64.3153 36.8953 178.5198 81 L 4.0134 7.8644 118.9317 56.8367 41.4683 178.7453 82 G 3.9365 7.5902 102.6300 44.9615 0.0000 174.6854 83 S 4.6778 7.7494 116.3047 57.4907 63.8833 174.2046 84 V 4.2129 7.0924 121.3347 62.0662 32.6736 174.2702 85 N 5.1932 9.3088 120.4568 50.4526 40.1317 175.4453 86 E 4.0981 8.8283 117.2423 58.9889 29.6426 177.9813 87 K 4.2792 8.5548 118.0931 57.3113 32.6662 176.2615 88 Q 5.0777 7.9451 117.4865 54.6885 31.8300 174.0669 89 A 4.8846 8.0083 119.1221 49.9126 22.0496 175.8823 90 V 4.6158 8.3739 119.4447 59.8635 35.0662 174.5087 91 G 3.4692 8.7432 110.4776 44.0939 0.0000 171.6862 92 I 5.4661 8.1448 121.6849 59.1630 41.3151 174.3043 93 F 5.5765 8.7854 120.5038 55.1420 41.2299 174.3801 94 E 4.6146 9.1128 120.4810 56.3512 30.3422 176.5673 95 T 4.3676 9.8840 110.9663 61.2683 70.1181 176.5793 96 G 4.0125 8.3933 108.9631 46.1259 0.0000 174.4735 97 G 3.3818 7.7740 109.5907 46.0093 0.0000 175.8139 98 G 4.0385 8.8550 107.4804 45.1868 0.0000 172.9959 99 D 4.9838 8.3156 117.2574 53.6660 43.2953 174.6404 100 D 5.0417 8.6554 115.9655 55.0816 41.5580 176.2725 101 E 4.2652 8.7692 122.6053 54.9342 30.5994 174.2076 102 P 4.4875 0.0000 0.0000 63.1008 32.0393 177.2213 103 I 3.7645 8.6038 123.6483 64.1448 38.0634 177.1084 104 D 4.4189 8.2014 119.3586 57.3255 40.5432 177.0452 105 P 4.2274 0.0000 0.0000 65.6861 31.1770 178.3897 106 L 3.9302 7.4687 115.9195 57.7196 42.1240 178.5507 107 L 4.0593 8.0445 120.4919 58.5469 42.0389 179.3279 108 S 4.2164 8.3084 114.8735 61.3050 62.4685 176.8287 109 K 3.9074 7.4782 120.9636 59.3164 32.0550 179.0773 110 F 4.2862 7.9417 118.0099 60.3868 38.9514 177.8513 111 R 3.9451 8.0531 118.1916 59.4037 29.6350 178.1216 112 N 4.3898 8.1499 116.1021 56.1638 39.0351 176.0541 113 L 4.2821 7.4473 117.7237 55.1782 42.0287 177.4417 114 G 4.0527 7.9777 107.7441 45.1873 0.0000 174.3784 115 L 4.4017 7.6633 118.6091 55.3508 42.3670 176.0812 116 T 4.6156 7.9186 110.7670 60.1586 71.2795 174.0105 117 T 4.1673 8.2167 114.4899 61.4757 68.8269 174.0553 118 A 3.8166 8.1652 130.2367 54.5736 18.7955 176.9047 119 F 4.7168 6.7019 106.4612 55.3085 40.6268 172.5925 120 P 4.2124 0.0000 0.0000 62.4838 31.5089 176.2463 121 A 4.2664 8.7797 124.5083 52.8182 18.9746 176.6612 122 I 3.9915 8.7961 123.7027 61.0384 39.0407 174.8167 123 R 4.9979 8.6604 128.2603 54.4460 32.6369 175.8965 124 I 4.3678 9.0157 123.7852 59.8239 38.8951 175.3453 125 K 4.3446 8.6392 124.9829 56.7194 33.3343 176.4991 126 Q 4.6787 7.5104 115.1259 53.3243 32.2452 175.0456 127 T 3.6268 8.3180 115.7100 63.2427 68.7296 172.8155 128 P 3.7780 0.0000 0.0000 63.0928 31.8854 175.5274 129 T 4.5291 7.4963 111.1221 59.3909 71.6805 174.4986 130 E 4.2195 8.4212 119.2515 59.1211 29.1791 178.9842 131 N 4.4115 7.8097 116.8663 55.9976 38.5403 177.6511 132 T 3.6637 7.3436 116.9153 66.9003 68.6688 176.3572 133 Y 4.3026 7.4302 118.3248 60.6082 37.8423 178.2512 134 K 4.0205 8.0718 120.9600 58.9250 32.2308 178.7639 135 L 3.8575 7.5442 120.8063 58.2738 42.0104 178.6307 136 C 3.8588 7.9108 116.7270 62.6504 27.9795 175.7481 137 E 4.0155 8.0623 120.9135 59.3466 29.1784 178.5813 138 E 3.9326 8.1275 119.0363 59.0079 29.6385 178.6085 139 A 3.9192 7.9575 121.2735 54.6730 18.2399 179.8742 140 G 3.5117 8.0471 104.5494 48.1400 0.0000 176.1748 141 T 4.3133 7.7736 119.5281 66.0068 68.5084 176.2996 142 D 4.4624 8.2723 120.9565 57.5694 40.8588 178.9296 143 L 4.2254 8.2435 120.7550 58.1479 42.1488 179.1471 144 G 3.7536 8.3831 105.7666 48.0154 0.0000 175.7343 145 Q 4.0906 8.7092 120.8397 58.3072 28.6875 178.4793 146 W 4.0508 8.4366 129.5299 60.4417 30.8016 178.0820 147 V 3.5761 8.5659 118.6137 66.3610 30.9764 178.0201 148 T 3.8265 7.9288 115.2473 66.9236 68.3840 176.9274 149 R 3.8685 8.1074 119.8566 58.9868 29.7176 178.7154 150 D 3.9321 7.4327 117.5659 56.9073 41.5214 177.9632 151 R 3.9363 7.8962 119.2980 59.4507 29.9191 178.5666 152 L 4.0820 7.7636 117.5625 57.1393 41.6610 178.0209 153 E 4.2502 7.7025 116.9701 56.7697 29.5743 176.7147 154 H 4.4613 7.6951 117.2466 58.6669 30.5052 174.4004 155 H 4.4457 7.7822 120.5216 56.0821 29.7814 172.9810 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 2 K 8.31 4.22 0.00 1.77 1.92 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.46 7.81 3 A 7.69 4.33 1.27 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 0.00 0.00 4 E 9.37 4.01 0.00 1.98 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 2.33 2.35 0.00 5 T 8.52 4.00 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 1.23 0.00 0.00 6 S 8.68 5.08 0.00 3.86 3.66 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 7 I 8.51 4.88 1.97 0.00 0.00 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 1.41 1.70 1.07 0.00 0.00 8 G 9.29 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 9 V 8.42 5.08 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 1.22 0.00 0.00 1.00 0.00 0.00 10 F 9.82 5.54 0.00 3.01 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 11 Y 8.53 5.09 0.00 3.17 3.16 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 12 V 8.50 4.66 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 1.19 0.00 0.00 1.00 0.00 0.00 13 S 8.66 4.55 0.00 4.06 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 14 E 10.47 3.74 0.00 2.08 2.17 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 2.29 2.27 0.00 15 Y 7.97 4.60 0.00 2.94 3.15 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 16 G 8.29 3.40 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 0.00 17 Y 8.40 4.58 0.00 3.18 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 18 S 7.92 4.32 0.00 4.23 4.32 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 19 D 8.22 4.47 0.00 2.82 2.78 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 20 R 7.92 3.82 0.00 1.90 1.44 0.00 3.19 0.00 0.00 3.55 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 21 L 8.32 3.93 0.00 1.42 1.05 1.04 0.82 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 22 A 7.78 3.50 0.66 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 0.00 0.00 23 Q 7.92 3.86 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 24 A 7.74 3.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.34 3.74 1.87 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.86 0.00 0.00 26 I 8.07 3.71 1.98 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 1.54 0.74 0.91 0.00 0.00 27 N 8.39 4.50 0.00 2.90 2.83 0.00 0.00 6.93 7.31 0.00 0.00 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 G 7.92 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.73 3.88 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.76 0.97 0.00 0.00 30 T 8.33 3.89 4.41 0.00 0.00 0.00 0.00 0.00 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 31 K 7.64 3.92 0.00 1.85 1.89 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 32 T 7.83 4.31 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 1.34 0.00 0.00 33 G 8.05 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 34 V 7.27 3.95 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 0.83 0.00 0.00 1.03 0.00 0.00 35 G 8.32 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 0.00 0.00 0.00 36 V 7.89 5.19 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 0.85 0.00 0.00 1.01 0.00 0.00 37 D 8.84 4.87 0.00 2.59 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 38 V 8.38 4.59 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 0.83 0.00 0.00 0.97 0.00 0.00 39 V 8.27 4.31 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 0.97 0.00 0.00 0.72 0.00 0.00 40 D 8.52 4.84 0.00 2.68 2.45 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 41 L 8.88 4.07 0.00 1.58 1.74 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 G 7.84 3.63 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 0.00 0.00 0.00 43 A 7.73 4.26 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 44 A 8.55 4.10 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 V 7.89 4.45 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 0.79 0.00 0.00 0.96 0.00 0.00 46 D 8.52 4.46 0.00 2.72 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 47 L 8.67 3.95 0.00 1.73 1.73 0.92 0.72 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 48 Q 8.38 4.03 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 49 E 8.34 4.27 0.00 2.26 2.21 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 2.64 2.39 0.00 50 L 8.25 4.09 0.00 1.91 1.93 1.14 1.25 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 51 R 7.92 4.09 0.00 2.12 1.98 0.00 3.20 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 52 E 7.90 4.02 0.00 2.16 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 2.37 2.56 0.00 53 L 8.13 4.13 0.00 1.83 2.00 0.97 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.95 3.90 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 1.01 0.00 0.00 0.96 0.00 0.00 55 G 8.20 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 0.00 0.00 0.00 56 R 7.52 4.52 0.00 2.04 2.06 0.00 3.08 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 57 C 7.43 4.83 0.00 3.29 3.21 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 58 T 8.80 4.37 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 1.31 0.00 0.00 59 G 8.17 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 60 L 8.70 5.60 0.00 1.38 1.47 0.90 0.90 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 61 V 9.51 4.93 2.30 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 1.36 0.00 0.00 1.13 0.00 0.00 62 I 9.14 5.05 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.80 0.94 0.00 0.00 63 G 8.83 3.14 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 0.00 0.00 0.00 *65 S 8.55 4.50 0.00 3.81 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 66 P 0.00 4.55 0.00 1.73 1.47 0.00 3.28 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 1.36 0.44 0.00 67 A 9.66 4.62 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 68 A 7.38 4.38 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 69 S 7.73 4.63 0.00 3.79 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 70 A 8.04 3.89 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 71 A 7.96 3.93 1.30 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 72 S 7.91 4.20 0.00 4.02 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 73 I 8.05 3.92 1.97 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 1.51 1.20 0.95 0.00 0.00 74 Q 8.49 4.13 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 75 G 8.05 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 76 A 7.89 4.01 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 77 L 7.80 3.84 0.00 1.79 1.78 0.93 0.92 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 78 S 8.46 4.09 0.00 3.86 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 79 T 7.51 3.90 4.38 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 1.21 0.00 0.00 80 I 7.69 3.80 1.92 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.99 0.69 0.00 0.00 81 L 7.86 4.01 0.00 1.67 1.54 0.72 0.05 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 82 G 7.59 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.75 4.68 0.00 3.90 3.89 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 84 V 7.09 4.21 2.18 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 1.02 0.00 0.00 1.07 0.00 0.00 85 N 9.31 5.19 0.00 2.92 2.88 0.00 0.00 7.08 7.28 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 86 E 8.83 4.10 0.00 2.13 2.34 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 2.31 2.38 0.00 87 K 8.55 4.28 0.00 2.04 1.98 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.57 7.81 88 Q 7.95 5.08 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.62 2.30 0.00 89 A 8.01 4.88 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.37 4.62 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.25 0.00 0.00 91 G 8.74 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.14 5.47 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.93 0.00 0.00 93 F 8.79 5.58 0.00 3.10 3.17 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 94 E 9.11 4.61 0.00 2.03 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 0.00 2.38 2.46 0.00 95 T 9.88 4.37 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 1.33 0.00 0.00 96 G 8.39 4.01 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 0.00 0.00 0.00 97 G 7.77 3.38 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 0.00 98 G 8.86 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 99 D 8.32 4.98 0.00 2.85 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 0.00 100 D 8.66 5.04 0.00 2.67 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 0.00 101 E 8.77 4.27 0.00 2.29 1.82 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 2.30 2.34 0.00 102 P 0.00 4.49 0.00 2.22 2.00 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 103 I 8.60 3.76 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.38 0.94 0.00 0.00 104 D 8.20 4.42 0.00 2.73 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 0.00 105 P 0.00 4.23 0.00 2.14 2.09 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 106 L 7.47 3.93 0.00 1.77 1.86 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.04 4.06 0.00 2.11 1.72 0.93 0.72 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 0.00 108 S 8.31 4.22 0.00 4.03 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 0.00 109 K 7.48 3.91 0.00 1.53 1.54 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.62 7.81 110 F 7.94 4.29 0.00 3.14 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 0.00 111 R 8.05 3.95 0.00 1.93 1.94 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 112 N 8.15 4.39 0.00 2.89 2.79 0.00 0.00 7.28 7.39 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 0.00 113 L 7.45 4.28 0.00 1.87 1.71 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.98 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 0.00 115 L 7.66 4.40 0.00 1.79 1.55 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.92 4.62 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 1.27 0.00 0.00 117 T 8.22 4.17 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 1.13 0.00 0.00 118 A 8.17 3.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.70 4.72 0.00 2.96 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 0.00 120 P 0.00 4.21 0.00 2.14 2.09 0.00 3.87 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 121 A 8.78 4.27 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 0.00 122 I 8.80 3.99 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 1.07 0.00 0.00 123 R 8.66 5.00 0.00 1.72 1.82 0.00 3.22 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.87 0.00 124 I 9.02 4.37 1.90 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 1.24 0.39 0.90 0.00 0.00 125 K 8.64 4.34 0.00 1.69 1.84 0.00 1.56 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 126 Q 7.51 4.68 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 127 T 8.32 3.63 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 0.99 0.00 0.00 128 P 0.00 3.78 0.00 1.30 1.15 0.00 2.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.68 0.00 129 T 7.50 4.53 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 1.12 0.00 0.00 130 E 8.42 4.22 0.00 2.00 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 2.43 2.36 0.00 131 N 7.81 4.41 0.00 2.66 2.79 0.00 0.00 6.84 6.86 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 0.00 132 T 7.34 3.66 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 0.77 0.00 0.00 133 Y 7.43 4.30 0.00 2.99 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 0.00 134 K 8.07 4.02 0.00 1.98 1.92 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.42 7.81 135 L 7.54 3.86 0.00 1.81 1.78 0.86 1.29 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 0.00 136 C 7.91 3.86 0.00 3.09 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 0.00 137 E 8.06 4.02 0.00 2.11 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 0.00 2.26 2.42 0.00 138 E 8.13 3.93 0.00 2.10 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 2.28 2.34 0.00 139 A 7.96 3.92 0.28 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 0.00 140 G 8.05 3.51 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 0.00 0.00 0.00 141 T 7.77 4.31 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 142 D 8.27 4.46 0.00 3.03 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 0.00 143 L 8.24 4.23 0.00 2.04 1.98 0.83 1.23 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 0.00 144 G 8.38 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 0.00 0.00 0.00 145 Q 8.71 4.09 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 146 W 8.44 4.05 0.00 3.55 3.45 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 0.00 147 V 8.57 3.58 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.29 0.00 0.00 148 T 7.93 3.83 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 1.20 0.00 0.00 149 R 8.11 3.87 0.00 1.87 1.81 0.00 3.08 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 150 D 7.43 3.93 0.00 1.58 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 0.00 151 R 7.90 3.94 0.00 2.06 1.85 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 152 L 7.76 4.08 0.00 1.61 1.68 0.90 0.74 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 0.00 153 E 7.70 4.25 0.00 2.01 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 2.24 2.25 0.00 154 H 7.70 4.46 0.00 3.34 3.28 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 H 7.78 4.45 0.00 3.14 3.08 0.00 5.78 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 * Residues marked with a * may have inaccurate shift predictions.