NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3905 8.3049 120.3490 55.3232 33.9692 176.2146 2 N 3.9546 7.9401 114.9874 55.6288 38.8922 174.1623 3 R 4.4411 7.7440 124.0731 53.8459 30.7648 176.6754 4 G 3.8182 8.5533 109.2076 46.8390 0.0000 171.7381 5 A 4.3355 7.7196 122.3596 54.6541 19.6320 179.0860 6 L 3.9901 7.8452 117.9079 57.9107 41.9805 179.1882 7 I 3.6992 7.9133 120.1851 64.3783 36.7782 178.2873 8 K 4.4463 7.8179 119.9670 58.2809 31.6197 178.6012 9 L 4.2361 7.4276 117.6127 56.1617 41.8873 178.8305 10 V 3.7005 8.1106 118.6809 66.1535 31.9576 177.5275 11 E 4.2004 8.1157 117.7164 58.8837 30.5210 177.0120 12 S 4.3657 7.3360 114.8752 58.9526 60.7727 173.8986 13 R 4.3088 7.7535 120.1993 56.4326 31.7392 176.1820 14 Y 4.4850 8.0718 113.9436 58.4288 37.6882 175.7888 15 V 3.8991 6.9377 119.8203 62.4257 32.5712 177.1727 16 R 4.6519 8.4179 121.5622 55.9647 28.9623 178.7885 17 T 5.0252 7.5606 129.2001 64.3708 69.2503 172.9361 18 D 4.0090 8.5684 120.7487 53.8660 38.7874 178.0501 19 L 3.5829 7.6604 124.2069 52.8036 39.3019 174.3559 20 P 4.2947 0.0000 0.0000 62.5912 31.8735 176.4416 21 E 3.9226 8.4717 122.0423 56.3063 30.3284 175.9324 22 F 4.8229 7.0732 115.6069 55.8528 39.9279 173.3085 23 R 4.7762 7.8414 118.7020 54.1506 32.5755 173.7696 24 P 4.8757 0.0000 0.0000 64.0454 31.1265 175.7390 25 G 4.3450 9.6889 110.4461 46.1159 0.0000 173.3298 26 D 4.9990 8.3841 124.5355 53.9780 43.5434 176.3658 27 T 4.0895 8.4680 122.0526 61.6346 67.5916 177.6835 28 V 4.1647 5.8417 111.4851 62.5694 33.5401 167.5207 29 R 4.6680 8.2338 120.9921 54.9554 32.5565 174.2462 30 V 3.9217 6.9239 114.4978 60.7489 35.8102 175.9337 31 S 4.5863 7.4601 121.4435 58.8629 67.0343 175.0758 32 Y 4.4524 6.8716 113.7761 53.6624 39.8874 172.5958 33 K 3.5430 7.3995 135.0000 55.2801 29.8481 175.6739 34 V 4.5537 8.8110 122.2923 60.6674 33.8626 175.8881 35 K 4.4289 9.3713 122.2911 56.6134 31.4286 176.5375 36 E 3.8298 9.0497 116.8010 56.9234 28.0487 176.0396 37 G 4.3584 8.7681 115.6966 44.4329 0.0000 174.5576 38 N 4.9397 7.5103 116.0446 50.6650 38.5918 173.6863 39 R 3.2871 8.6016 118.0199 59.1539 30.8659 175.4433 40 T 3.6387 6.6689 110.2763 56.9085 71.1362 173.8829 41 R 5.1442 7.8942 132.8102 56.6145 32.3122 173.4022 42 I 4.0207 8.1963 126.9097 61.1932 36.4187 174.1995 43 Q 4.3118 8.2379 128.1151 55.0218 30.6454 175.4074 44 D 4.8746 8.3578 126.8737 56.2981 43.0618 175.4795 45 F 4.3211 7.9558 120.8530 58.5388 41.8104 173.9032 46 E 4.6406 8.2800 131.2139 54.7285 26.9798 173.9772 47 G 4.3464 7.9569 110.6779 44.2748 0.0000 169.6637 48 I 4.8067 7.9576 120.6103 59.1476 39.3275 176.0137 49 V 4.1387 8.2989 127.7469 62.3496 30.6995 176.5893 50 I 3.7906 9.0454 130.0282 64.1016 39.3082 175.5932 51 R 4.7639 7.6087 120.5137 55.2595 33.9273 174.1604 52 I 5.1498 8.4540 126.5958 59.4602 39.3994 173.8981 53 R 4.4462 8.7053 123.7415 55.0445 31.0489 176.5523 54 R 4.6130 8.3721 122.1158 55.2725 32.0224 175.1270 55 N 4.6238 8.7608 115.4889 54.5618 42.2998 177.4529 56 G 3.8374 9.0382 108.1518 46.7017 0.0000 175.1952 57 F 4.5788 9.3324 126.2106 58.0952 41.1778 173.2481 58 N 3.6427 6.2298 115.3742 53.0508 36.1415 174.0544 59 T 3.9455 7.7352 111.3364 62.5834 69.5119 173.6477 60 T 5.2438 8.1142 115.4512 60.0750 72.3608 172.9093 61 F 5.8924 9.5526 117.0948 56.0233 42.3435 173.1108 62 T 5.5680 8.8814 107.1232 60.1371 72.3565 173.2838 63 V 4.8651 8.0507 115.8246 59.6074 35.7484 174.3447 64 R 4.9490 8.8752 125.4026 54.6459 31.6632 174.6308 65 K 4.5113 9.2438 128.4673 54.6527 35.1781 175.6998 66 V 4.0441 8.5265 128.0224 62.1545 29.9738 174.1994 67 S 4.2877 8.2371 119.5426 57.1983 62.2636 175.0164 68 Y 3.9335 8.1791 129.5509 58.7262 35.1623 171.6819 69 G 3.6378 8.8036 117.2444 49.3995 0.0000 173.5834 70 V 3.8644 7.5617 119.2130 61.6073 32.6912 174.9043 71 G 4.4053 8.3791 110.9877 44.5295 0.0000 173.0550 72 V 4.6610 9.6511 125.2112 60.9664 34.8411 173.8360 73 E 5.8643 8.7439 125.8331 54.1144 31.8430 175.4418 74 R 4.1606 8.1623 122.4232 54.1817 33.2841 175.2105 75 I 5.0374 7.2922 122.0403 58.8024 39.5410 174.7195 76 F 5.0188 7.6343 125.9635 54.8435 41.1772 175.3966 77 P 4.3017 0.0000 0.0000 63.6570 31.3233 177.7172 78 L 4.1790 8.8237 118.4244 55.3618 41.1407 173.1241 79 H 5.0709 7.4981 111.5062 55.9714 34.0804 175.7587 80 S 4.0568 8.8202 119.0709 58.5289 60.3410 171.3154 81 P 4.4283 0.0000 0.0000 63.3686 29.4733 175.2582 82 L 4.5269 8.6790 122.2602 57.1727 45.2863 177.4954 83 I 3.1773 7.2784 109.9129 59.5130 41.2891 178.2402 84 Q 4.2796 8.9439 118.3111 56.5712 29.1686 175.6625 85 K 4.3080 8.5480 113.5127 56.8538 35.0163 174.8307 86 I 3.5607 7.6454 119.1632 59.7264 38.7976 174.0066 87 D 4.4736 8.3649 125.9657 53.5257 40.4742 174.6746 88 I 3.7773 9.2315 124.6288 62.3675 36.6781 176.9367 89 V 4.2032 5.7033 130.0681 61.5415 35.0335 175.7072 90 Q 4.6663 8.9103 128.1898 55.9436 26.8481 176.5341 91 R 4.7100 7.9609 124.0860 56.7417 32.8453 174.4080 92 G 4.2737 9.0248 111.0637 46.7155 0.0000 174.5025 93 R 3.6997 7.8524 116.5790 56.1146 28.4187 176.0535 94 A 4.1746 8.0550 118.3397 53.0235 19.0709 178.1942 95 R 4.6707 8.3209 120.3775 55.3027 30.7751 176.1897 96 R 4.5889 7.5216 111.3725 54.7497 32.7802 174.6352 97 A 4.0547 8.9231 123.3979 53.8904 17.5002 179.1524 98 K 4.1643 9.0105 115.3960 54.8919 34.2214 177.8163 99 L 5.1859 8.3414 123.7067 54.8293 40.0903 176.9640 100 Y 4.4608 8.5924 117.0385 59.8145 38.9955 177.8750 101 F 4.4041 8.3963 115.0043 58.4240 38.0937 176.6791 102 I 3.6412 7.1119 114.6590 62.1425 38.0558 177.5149 103 R 4.0468 8.0629 120.2495 58.2100 29.7941 175.8519 104 N 4.8254 7.7062 112.8517 54.8357 41.4258 176.6605 105 L 4.3851 7.6396 118.2959 54.5595 40.4159 177.5800 106 S 4.8417 8.8605 112.6611 55.5499 67.0435 170.9127 107 D 5.2111 8.0994 125.9831 53.3261 35.2955 177.4015 108 R 4.5840 8.8721 112.7812 55.2650 31.2224 176.7013 109 E 4.3959 10.7800 118.9751 58.3264 30.2788 177.7813 110 I 3.6548 7.9273 118.2495 64.1769 38.0202 178.0046 111 R 3.9770 7.8776 118.5280 58.8312 29.8928 177.7865 112 R 4.2299 7.6581 115.3150 56.7621 30.1262 176.2353 113 K 4.4668 7.5127 117.3656 57.7932 34.4615 176.6203 114 L 4.7606 7.8659 120.2389 52.3971 40.9700 177.5256 115 R 4.3676 7.4612 120.2393 55.8473 29.6648 180.6189 116 A 4.5441 8.4631 123.4639 51.0659 19.4809 172.6211 117 D 4.3540 8.3235 117.9321 54.3966 41.6093 177.6181 118 R 4.1683 8.7461 126.6760 59.7506 30.3971 177.9456 119 K 3.8249 8.4124 116.9180 59.2967 31.6772 178.5724 120 R 4.1445 7.7176 124.5347 58.4330 30.9480 178.5521 121 I 4.1385 7.6882 119.5237 63.5420 37.4938 177.0647 122 D 5.0704 8.3725 118.3321 54.0197 41.8312 177.2727 123 Q 4.6696 8.0061 115.3138 55.8594 29.0186 175.7344 124 D 4.6858 8.1238 117.5162 55.3945 43.8418 177.5544 125 R 3.9307 8.1689 115.8064 57.3515 30.6569 176.6970 126 A 4.5333 7.6398 120.0460 53.0963 20.9507 177.9491 127 A 4.4731 7.9769 115.9516 52.8019 17.8253 176.7077 128 E 4.4929 8.0985 116.1281 58.0284 30.4608 177.9106 129 R 4.1865 7.9772 118.8917 57.9636 27.4704 175.3398 130 A 4.5992 7.6552 118.1860 51.1454 20.0413 176.5759 131 A 4.0072 7.9988 121.2068 53.5278 18.9055 179.9228 132 K 4.3174 8.5028 123.7725 56.9935 29.4792 177.7402 133 E 4.2653 8.1678 118.8469 56.1615 29.2592 175.2468 134 E 4.5618 8.2054 117.9071 54.2620 32.3884 173.1930 135 A 3.8114 8.1645 125.5965 52.7577 18.1980 181.1677 136 Q 4.7709 7.3879 123.7405 54.0036 28.1624 179.3327 137 K 3.8885 8.7939 111.9001 56.3009 30.3487 176.0672 *138 A 4.1104 8.0598 124.3648 52.1505 18.7921 176.8560 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 8.30 4.39 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 7.94 3.95 0.00 2.83 2.87 0.00 0.00 6.78 6.78 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 3 R 7.74 4.44 0.00 1.84 1.89 0.00 3.32 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 4 G 8.55 3.82 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 0.00 0.00 0.00 5 A 7.72 4.34 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 6 L 7.85 3.99 0.00 1.72 1.68 0.92 0.88 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 7 I 7.91 3.70 2.04 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 1.72 0.99 0.98 0.00 0.00 8 K 7.82 4.45 0.00 2.06 1.90 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.37 7.81 9 L 7.43 4.24 0.00 1.86 1.70 0.93 0.89 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 10 V 8.11 3.70 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 0.82 0.00 0.00 0.93 0.00 0.00 11 E 8.12 4.20 0.00 2.16 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 2.44 2.49 0.00 12 S 7.34 4.37 0.00 3.89 3.64 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 13 R 7.75 4.31 0.00 1.93 1.53 0.00 3.10 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.38 0.00 14 Y 8.07 4.48 0.00 2.81 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 15 V 6.94 3.90 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 0.70 0.00 0.00 0.98 0.00 0.00 16 R 8.42 4.65 0.00 1.70 1.61 0.00 3.77 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.51 0.00 17 T 7.56 5.03 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 18 D 8.57 4.01 0.00 2.83 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.66 3.58 0.00 1.70 1.88 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.29 0.00 2.11 2.04 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 21 E 8.47 3.92 0.00 1.81 1.77 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 2.06 1.96 0.00 22 F 7.07 4.82 0.00 3.15 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 23 R 7.84 4.78 0.00 1.99 2.03 0.00 3.00 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 24 P 0.00 4.88 0.00 2.14 2.12 0.00 3.71 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 25 G 9.69 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 0.00 0.00 0.00 0.00 26 D 8.38 5.00 0.00 2.61 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 27 T 8.47 4.09 3.92 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 1.17 0.00 0.00 28 V 5.84 4.16 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 0.98 0.00 0.00 29 R 8.23 4.67 0.00 1.97 1.97 0.00 3.28 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.37 0.00 30 V 6.92 3.92 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 0.50 0.00 0.00 0.97 0.00 0.00 31 S 7.46 4.59 0.00 3.27 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 6.87 4.45 0.00 3.09 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 33 K 7.40 3.54 0.00 2.03 1.86 0.00 1.70 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.04 1.39 7.81 34 V 8.81 4.55 2.14 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 0.87 0.00 0.00 1.03 0.00 0.00 35 K 9.37 4.43 0.00 2.08 1.68 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.16 7.81 36 E 9.05 3.83 0.00 2.04 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 0.00 2.34 2.32 0.00 37 G 8.77 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 0.00 0.00 0.00 0.00 38 N 7.51 4.94 0.00 2.82 2.81 0.00 0.00 6.00 7.66 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 39 R 8.60 3.29 0.00 1.93 1.90 0.00 3.19 0.00 0.00 3.43 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 40 T 6.67 3.64 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 41 R 7.89 5.14 0.00 1.90 2.06 0.00 3.37 0.00 0.00 3.21 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.34 0.00 42 I 8.20 4.02 1.87 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 1.24 0.54 0.92 0.00 0.00 43 Q 8.24 4.31 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 44 D 8.36 4.87 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.96 4.32 0.00 3.24 2.97 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 46 E 8.28 4.64 0.00 1.90 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 0.00 2.22 2.35 0.00 47 G 7.96 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 0.00 0.00 0.00 0.00 48 I 7.96 4.81 1.87 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 1.28 0.67 0.99 0.00 0.00 49 V 8.30 4.14 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 0.92 0.00 0.00 1.31 0.00 0.00 50 I 9.05 3.79 1.81 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 0.98 0.86 0.84 0.00 0.00 51 R 7.61 4.76 0.00 1.21 1.33 0.00 3.16 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 52 I 8.45 5.15 1.90 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 1.58 0.87 1.04 0.00 0.00 53 R 8.71 4.45 0.00 1.93 2.10 0.00 2.96 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.78 0.00 54 R 8.37 4.61 0.00 1.82 1.89 0.00 3.27 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 55 N 8.76 4.62 0.00 2.62 2.70 0.00 0.00 7.11 7.98 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 56 G 9.04 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.33 4.58 0.00 2.98 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 58 N 6.23 3.64 0.00 2.54 2.06 0.00 0.00 5.98 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 59 T 7.74 3.95 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 1.29 0.00 0.00 60 T 8.11 5.24 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 1.25 0.00 0.00 61 F 9.55 5.89 0.00 3.35 3.20 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 0.00 62 T 8.88 5.57 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 1.06 0.00 0.00 63 V 8.05 4.87 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 0.76 0.00 0.00 0.81 0.00 0.00 64 R 8.88 4.95 0.00 1.84 1.78 0.00 3.34 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 65 K 9.24 4.51 0.00 1.80 1.64 0.00 1.66 0.00 0.00 1.39 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.85 1.16 7.81 66 V 8.53 4.04 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 0.91 0.00 0.00 67 S 8.24 4.29 0.00 3.62 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.18 3.93 0.00 3.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.80 3.64 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 0.00 0.00 0.00 70 V 7.56 3.86 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 0.97 0.00 0.00 0.95 0.00 0.00 71 G 8.38 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 0.00 0.00 0.00 0.00 72 V 9.65 4.66 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 0.91 0.00 0.00 0.93 0.00 0.00 73 E 8.74 5.86 0.00 1.82 1.77 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 2.21 2.15 0.00 74 R 8.16 4.16 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 75 I 7.29 5.04 1.64 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 1.15 0.54 0.82 0.00 0.00 76 F 7.63 5.02 0.00 2.43 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 77 P 0.00 4.30 0.00 2.24 2.06 0.00 3.85 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 78 L 8.82 4.18 0.00 2.12 2.00 0.86 0.78 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 79 H 7.50 5.07 0.00 3.29 3.36 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.82 4.06 0.00 4.10 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 81 P 0.00 4.43 0.00 1.00 1.86 0.00 3.51 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 1.50 1.93 0.00 82 L 8.68 4.53 0.00 1.58 1.59 1.00 1.01 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 83 I 7.28 3.18 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.49 0.95 0.00 0.00 84 Q 8.94 4.28 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.31 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 85 K 8.55 4.31 0.00 1.72 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.45 7.81 86 I 7.65 3.56 1.88 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 1.47 0.74 0.95 0.00 0.00 87 D 8.36 4.47 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 88 I 9.23 3.78 1.95 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 1.11 0.79 0.91 0.00 0.00 89 V 5.70 4.20 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 0.99 0.00 0.00 0.94 0.00 0.00 90 Q 8.91 4.67 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.47 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 91 R 7.96 4.71 0.00 1.77 1.74 0.00 3.21 0.00 0.00 3.24 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 92 G 9.02 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.85 3.70 0.00 1.94 1.99 0.00 3.28 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 94 A 8.06 4.17 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 95 R 8.32 4.67 0.00 1.76 1.91 0.00 3.42 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.53 0.00 96 R 7.52 4.59 0.00 1.88 1.81 0.00 2.51 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.64 0.00 97 A 8.92 4.05 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 98 K 9.01 4.16 0.00 1.97 1.85 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.16 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.58 1.45 7.81 99 L 8.34 5.19 0.00 2.42 2.02 1.01 0.86 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 0.00 100 Y 8.59 4.46 0.00 3.00 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 0.00 101 F 8.40 4.40 0.00 3.32 3.35 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 0.00 102 I 7.11 3.64 1.63 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 1.37 0.59 0.19 0.00 0.00 103 R 8.06 4.05 0.00 1.82 2.06 0.00 3.16 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 104 N 7.71 4.83 0.00 2.70 2.76 0.00 0.00 6.97 7.60 0.00 0.00 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 L 7.64 4.39 0.00 1.88 1.67 1.13 0.94 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 0.00 106 S 8.86 4.84 0.00 3.91 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 0.00 107 D 8.10 5.21 0.00 2.91 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 0.00 108 R 8.87 4.58 0.00 1.87 2.02 0.00 3.07 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 109 E 10.78 4.40 0.00 2.17 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 2.27 2.48 0.00 110 I 7.93 3.65 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.91 0.00 0.00 111 R 7.88 3.98 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 112 R 7.66 4.23 0.00 2.02 2.04 0.00 3.22 0.00 0.00 3.17 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 113 K 7.51 4.47 0.00 2.15 1.95 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.57 7.81 114 L 7.87 4.76 0.00 1.91 1.65 0.92 1.36 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 0.00 115 R 7.46 4.37 0.00 1.82 1.40 0.00 3.39 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 116 A 8.46 4.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.32 4.35 0.00 2.79 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 0.00 118 R 8.75 4.17 0.00 1.87 1.96 0.00 3.37 0.00 0.00 3.51 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 119 K 8.41 3.82 0.00 1.80 1.75 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 120 R 7.72 4.14 0.00 1.93 2.06 0.00 3.14 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 121 I 7.69 4.14 2.14 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 1.81 1.48 0.92 0.00 0.00 122 D 8.37 5.07 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.01 4.67 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 124 D 8.12 4.69 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.17 3.93 0.00 1.81 1.98 0.00 3.32 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 126 A 7.64 4.53 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.98 4.47 1.31 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 0.00 128 E 8.10 4.49 0.00 2.05 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 2.30 2.38 0.00 129 R 7.98 4.19 0.00 1.77 1.92 0.00 3.24 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 130 A 7.66 4.60 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 0.00 131 A 8.00 4.01 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 0.00 132 K 8.50 4.32 0.00 1.83 1.79 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 133 E 8.17 4.27 0.00 1.90 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 2.29 2.36 0.00 134 E 8.21 4.56 0.00 1.83 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 135 A 8.16 3.81 1.35 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 0.00 0.00 136 Q 7.39 4.77 0.00 2.01 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.27 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 137 K 8.79 3.89 0.00 1.78 1.80 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 *138 A 8.06 4.11 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.