NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6430 8.2676 119.2156 52.5588 40.1813 174.9651 3 P 2.0000 0.0000 0.0000 64.7273 30.7520 175.0443 4 E 3.7221 8.8752 119.8019 59.3672 29.4364 180.1285 5 N 4.4274 8.0148 116.2767 55.0238 38.6911 176.1631 6 W 4.9067 7.4644 114.3269 56.3046 29.7626 175.7683 7 L 4.6119 7.8298 119.0698 54.7504 43.3530 175.6879 8 L 4.8682 7.8509 119.0984 53.0381 42.9213 175.7037 9 L 5.0120 8.4490 122.5578 52.8189 45.9501 175.8023 10 R 5.0476 8.3647 119.0093 55.0923 33.2799 173.9424 11 R 4.6497 8.8871 120.0924 55.0483 33.4801 173.4847 12 V 4.6707 7.8850 119.6620 60.7969 33.7564 175.3340 13 V 3.5824 8.6111 128.6965 63.1655 32.5632 175.2359 14 R 4.9043 9.1401 126.5075 54.2443 33.0917 177.1359 15 F 4.3098 9.1258 122.7796 61.6181 39.4513 177.4836 16 G 3.7219 8.1407 106.9163 47.6288 0.0000 173.6529 17 D 4.5744 8.0736 118.9544 55.3794 41.2802 176.3486 18 T 4.6549 7.4021 109.7086 59.8573 70.8947 173.2211 19 D 4.8784 8.2236 121.5959 51.1575 41.9903 176.3961 20 A 4.0858 8.3660 120.0310 53.8057 18.2896 178.2232 21 A 4.0591 8.2340 118.5053 52.9811 18.6364 178.6716 22 G 4.0001 9.2909 104.1837 45.3769 0.0000 174.5354 23 V 4.5577 6.8773 110.1362 61.4477 36.6934 173.9831 *25 H 4.7846 8.2348 117.9144 55.8404 31.8093 173.8246 26 F 3.6936 8.6548 122.6236 60.4347 37.4974 177.2514 27 H 4.0937 6.3518 114.0530 57.1491 28.4038 177.0977 28 Q 3.6593 7.4090 121.4769 58.5464 28.3035 178.1391 29 L 2.9751 6.8744 120.9483 58.0115 41.8960 179.1975 30 F 4.1354 7.5616 117.1674 60.2736 38.7282 177.5767 31 R 3.9613 7.8987 117.9657 59.3791 29.8594 178.3952 32 W 4.5382 8.1458 118.7000 60.0157 28.9597 178.2604 33 C 3.6946 8.3391 116.6512 62.9459 27.4716 175.6499 34 H 4.4074 8.3896 119.6714 59.5633 29.4231 177.1364 35 E 4.2645 8.8754 121.0785 59.4953 29.1951 179.5395 36 S 4.2843 8.6973 114.6142 60.9720 63.1155 176.4409 37 W 4.5167 8.9021 132.2879 60.5308 30.5681 177.7095 38 E 3.4730 8.3990 118.5449 59.3389 28.8021 178.9259 39 E 3.9357 8.4772 119.5085 59.3684 29.6170 178.8345 40 S 4.4871 8.5672 113.4305 61.4817 62.5508 176.1511 41 L 3.4953 7.6611 121.6447 57.4384 41.1285 178.9951 42 E 3.9993 8.0686 119.1947 59.5816 29.3986 178.9916 43 S 4.1902 8.2540 111.8846 61.4126 62.5051 175.1174 44 Y 3.8639 8.0354 122.0219 59.7419 38.4627 175.6304 45 G 3.6691 7.0012 106.9553 45.0593 0.0000 173.9177 46 L 4.1581 7.7726 120.0434 54.0304 42.5982 175.7673 47 N 4.7788 8.3178 119.6602 51.1740 40.3034 173.9041 48 P 4.3587 0.0000 0.0000 65.9624 31.3227 178.1767 49 A 4.2196 7.9785 120.2563 54.0867 18.2978 178.0314 50 D 4.5899 8.0425 114.1058 55.5782 41.4809 177.1672 51 I 4.0757 7.5932 117.8027 61.6860 39.3233 175.6676 52 F 4.7660 8.1672 118.7284 54.5127 40.4782 174.0909 53 P 4.3849 0.0000 0.0000 63.8380 31.7047 176.6561 54 G 3.9504 8.8551 106.7190 45.6293 0.0000 173.8568 55 S 4.5545 7.5860 114.8047 57.3499 64.0627 174.4186 56 R 4.0084 8.6126 123.3216 58.9273 30.0113 177.5704 57 K 4.5090 7.7786 113.7174 55.9227 32.5040 176.2002 58 S 4.2625 7.8122 116.9102 58.7429 63.2461 175.2660 59 E 4.1299 8.8100 124.9248 58.7131 29.6623 177.1729 60 V 4.5534 7.2289 108.8403 59.1365 35.8303 174.8269 61 T 3.9714 8.3040 116.0463 61.2614 67.7531 172.3108 62 P 4.3161 0.0000 0.0000 63.4899 31.9778 176.3044 63 E 4.2244 8.7793 120.7975 57.9768 30.9294 176.2319 64 V 4.7902 7.7349 119.0300 60.9444 33.4529 174.9823 65 A 4.6162 9.0663 130.1092 50.2531 20.8719 176.4685 66 L 5.7421 8.1192 117.3422 51.9146 41.1716 175.3784 67 P 4.4363 0.0000 0.0000 63.0580 33.1290 177.3290 68 I 4.2777 8.3000 123.7242 61.4029 37.0047 175.6683 69 I 4.2777 8.4456 120.8429 61.7995 39.1752 175.4101 70 H 4.9578 7.8219 121.6563 55.2541 33.0668 171.8111 71 C 5.2875 8.0790 118.2942 57.4833 32.6078 172.5358 72 Q 4.9213 9.1476 116.5752 55.7627 31.9357 172.8355 73 A 4.9038 8.5348 120.1537 50.7713 22.4797 175.1513 74 D 4.8493 8.5173 120.0314 52.3488 44.1579 175.2479 75 F 4.8427 8.8527 121.2842 56.2382 40.2618 174.9547 76 R 4.5734 9.2283 123.4298 57.0397 31.9682 177.2673 77 R 4.7414 7.8103 115.0650 53.0992 34.0195 173.2439 78 P 4.3899 0.0000 0.0000 62.9368 32.1534 175.6421 79 I 4.6734 8.1467 120.4861 59.9061 40.0431 174.5133 80 H 5.1443 9.4941 121.6141 53.4778 31.8434 173.3429 81 T 4.1102 8.4927 116.0715 64.0571 67.3957 174.5571 82 G 4.0227 9.1413 117.6241 45.0634 0.0000 173.3668 83 D 4.5200 8.1186 120.4949 54.6775 42.0036 175.4260 84 A 4.7272 8.6154 125.1538 51.0972 19.9014 176.2499 85 L 4.9527 9.2738 123.3800 53.4043 44.4629 176.8996 86 A 4.7255 8.6568 125.8557 50.6018 22.0162 175.0386 *88 E 4.4384 8.4019 117.6109 56.4049 30.9157 174.4895 89 L 4.9144 8.7489 127.0948 53.2398 44.1198 176.7825 90 R 4.4800 8.8366 122.1661 53.6054 32.5914 172.9367 91 P 4.9910 0.0000 0.0000 62.4420 32.9480 175.5452 92 E 4.5857 9.2743 122.1797 54.4728 33.0683 174.5959 93 R 4.3573 8.7984 127.7088 56.5636 30.9383 175.6407 94 L 4.4259 8.7098 125.3998 56.4294 42.8285 175.7773 95 N 4.7201 7.4564 113.2397 51.6229 39.6602 172.9069 96 P 4.3790 0.0000 0.0000 64.8530 31.5838 177.5370 97 N 5.1920 8.9951 114.9453 52.7752 39.5658 173.4834 98 S 5.2073 8.0257 112.8790 57.5585 66.4676 172.9920 99 F 5.5825 8.5283 118.5077 55.8079 41.6744 172.7757 100 Q 4.9570 9.3473 117.0157 54.4690 32.6876 174.0047 101 V 4.7695 8.7080 119.4651 61.4396 34.7657 173.5532 102 H 5.3736 8.8375 127.6164 54.7451 32.0777 173.3920 103 F 5.1679 9.1745 123.7475 55.5941 42.1736 173.4321 104 E 4.9644 8.9933 125.0306 54.3541 31.7728 174.8248 105 F 5.0422 9.4750 125.8658 55.9295 41.5093 174.7991 106 R 5.2894 9.2309 123.1120 54.5973 33.6096 174.9234 107 C 4.8485 8.7309 121.4542 59.0077 34.7477 173.9705 108 E 3.6577 9.8258 126.6445 57.7263 26.5720 175.3905 109 E 3.8708 8.3373 113.8901 56.7757 28.2388 174.7784 110 Q 4.6834 7.7295 118.4593 53.7123 30.9928 175.0257 111 I 4.3554 8.3487 122.4999 61.5537 37.5907 175.6367 112 A 4.6229 9.1310 127.8598 53.4612 20.6776 176.2730 113 A 4.8865 7.8264 114.4983 51.8150 22.6047 174.9629 114 H 5.5975 8.5313 113.7259 54.6398 32.5841 172.1223 115 A 5.1898 9.1281 120.2128 50.8397 23.5113 174.8250 116 L 5.3508 9.2283 120.4400 53.6822 46.0284 175.1205 117 I 5.0601 9.0588 126.1364 59.5257 40.8454 174.1164 118 R 4.8006 8.9682 127.7558 54.7697 32.5118 174.2676 119 H 5.2064 8.7161 123.0919 53.7612 32.2590 172.6223 120 L 5.0698 8.5336 122.6575 53.1753 45.2339 174.9801 121 A 4.8818 9.1921 128.5219 51.3359 19.9803 176.3997 122 I 5.0946 8.6225 115.6983 58.6218 41.8091 174.3836 123 N 4.7318 9.1538 123.1066 53.6806 39.1447 175.8044 124 A 3.9738 9.1059 128.8877 54.7425 18.5116 178.4617 125 Q 4.2647 8.4539 113.3685 57.5866 29.7460 176.8273 126 T 4.1613 8.3988 106.7261 61.3934 69.5970 175.5817 127 R 3.9852 8.2242 119.1346 57.2384 28.4651 175.6779 128 H 4.6437 8.0827 115.4316 55.2211 30.0318 175.3098 129 R 4.6381 8.5819 120.8751 57.1765 30.6901 175.4270 130 C 4.8821 8.7288 116.3969 56.6159 33.3289 173.2420 131 A 4.5783 8.5089 120.4019 51.5932 18.6512 177.6237 132 L 4.1539 8.4283 120.5962 54.4079 42.5759 176.0779 133 P 4.4097 0.0000 0.0000 62.3847 32.2449 177.2952 134 E 4.0943 8.9618 120.1669 59.7533 29.3512 179.8067 135 G 3.5768 8.0065 106.0908 47.5864 0.0000 175.6241 136 I 3.7475 7.6533 121.7563 64.1726 37.1110 178.1015 137 D 4.3594 8.2628 119.8032 57.3464 40.5439 178.9748 138 R 3.9348 8.2495 118.7296 58.9432 30.2268 178.8591 139 W 2.9744 8.1442 127.9746 60.0662 30.4233 177.8547 140 L 3.4759 7.9589 117.8513 57.6922 41.5069 178.8745 141 E 3.9890 8.2298 118.8799 59.3254 29.3988 178.7855 142 A 4.1859 7.9871 119.6318 54.5951 18.4948 178.7356 143 S 4.5858 7.3380 111.1363 58.4115 63.2137 174.6114 144 G 3.7178 7.6761 116.3335 45.8527 0.0000 173.5772 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 N 8.27 4.64 0.00 2.78 2.73 0.00 0.00 6.80 6.82 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 3 P 0.00 2.00 0.00 1.80 1.62 0.00 3.59 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 1.82 1.94 0.00 4 E 8.88 3.72 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 5 N 8.01 4.43 0.00 2.96 3.06 0.00 0.00 6.84 8.39 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 6 W 7.46 4.91 0.00 3.72 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 4.61 0.00 1.43 1.76 0.66 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.85 4.87 0.00 1.61 1.57 0.86 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 9 L 8.45 5.01 0.00 1.53 1.60 1.09 1.02 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 10 R 8.36 5.05 0.00 1.75 1.72 0.00 3.23 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 11 R 8.89 4.65 0.00 1.68 1.84 0.00 2.59 0.00 0.00 2.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.08 0.00 12 V 7.88 4.67 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 0.84 0.00 0.00 0.90 0.00 0.00 13 V 8.61 3.58 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 1.10 0.00 0.00 0.91 0.00 0.00 14 R 9.14 4.90 0.00 1.95 1.89 0.00 3.39 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 15 F 9.13 4.31 0.00 3.03 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 8.14 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 0.00 0.00 0.00 17 D 8.07 4.57 0.00 3.06 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 18 T 7.40 4.65 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 1.25 0.00 0.00 19 D 8.22 4.88 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 4.09 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 21 A 8.23 4.06 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 22 G 9.29 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 23 V 6.88 4.56 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 0.79 0.00 0.00 0.88 0.00 0.00 *25 H 8.23 4.78 0.00 3.12 3.02 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.65 3.69 0.00 2.37 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 27 H 6.35 4.09 0.00 3.10 2.59 0.00 5.66 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 28 Q 7.41 3.66 0.00 1.42 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.12 2.50 0.00 29 L 6.87 2.98 0.00 1.40 0.95 -0.11 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.56 4.14 0.00 3.18 2.94 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 31 R 7.90 3.96 0.00 1.88 2.04 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 32 W 8.15 4.54 0.00 3.63 3.33 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 33 C 8.34 3.69 0.00 2.88 1.58 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 34 H 8.39 4.41 0.00 3.43 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.88 4.26 0.00 2.19 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 0.00 2.41 2.67 0.00 36 S 8.70 4.28 0.00 4.25 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 37 W 8.90 4.52 0.00 3.80 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 38 E 8.40 3.47 0.00 2.10 1.66 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 1.53 2.40 0.00 39 E 8.48 3.94 0.00 2.16 2.19 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 2.38 2.36 0.00 40 S 8.57 4.49 0.00 4.38 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 41 L 7.66 3.50 0.00 1.50 1.30 -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.07 4.00 0.00 2.08 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 2.30 2.29 0.00 43 S 8.25 4.19 0.00 4.08 4.29 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 44 Y 8.04 3.86 0.00 2.30 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 45 G 7.00 3.67 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 0.00 0.00 0.00 46 L 7.77 4.16 0.00 1.55 1.52 0.79 0.86 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 47 N 8.32 4.78 0.00 2.67 2.84 0.00 0.00 6.69 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 48 P 0.00 4.36 0.00 2.29 2.33 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 49 A 7.98 4.22 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 50 D 8.04 4.59 0.00 2.77 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 51 I 7.59 4.08 1.33 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.11 0.00 0.00 52 F 8.17 4.77 0.00 2.97 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 53 P 0.00 4.38 0.00 2.23 2.10 0.00 3.97 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 2.07 2.02 0.00 54 G 8.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.59 4.55 0.00 3.90 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 56 R 8.61 4.01 0.00 1.77 1.95 0.00 3.20 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 57 K 7.78 4.51 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.42 7.81 58 S 7.81 4.26 0.00 3.89 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 59 E 8.81 4.13 0.00 1.95 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 2.31 2.32 0.00 60 V 7.23 4.55 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 0.93 0.00 0.00 61 T 8.30 3.97 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 1.22 0.00 0.00 62 P 0.00 4.32 0.00 2.05 2.10 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.26 0.00 63 E 8.78 4.22 0.00 1.92 1.99 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 2.39 2.47 0.00 64 V 7.73 4.79 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 0.89 0.00 0.00 0.94 0.00 0.00 65 A 9.07 4.62 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 66 L 8.12 5.74 0.00 1.73 1.79 1.18 1.35 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 67 P 0.00 4.44 0.00 2.10 2.20 0.00 4.04 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 2.17 2.03 0.00 68 I 8.30 4.28 1.77 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 0.91 0.30 0.84 0.00 0.00 69 I 8.45 4.28 1.84 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 1.12 0.56 0.88 0.00 0.00 70 H 7.82 4.96 0.00 3.21 3.10 0.00 5.87 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.08 5.29 0.00 3.08 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 9.15 4.92 0.00 2.21 2.23 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 2.35 2.42 0.00 73 A 8.53 4.90 0.53 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 74 D 8.52 4.85 0.00 2.18 2.41 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 75 F 8.85 4.84 0.00 2.82 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 76 R 9.23 4.57 0.00 1.76 1.99 0.00 3.29 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 77 R 7.81 4.74 0.00 1.79 1.82 0.00 3.47 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 78 P 0.00 4.39 0.00 2.09 2.03 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 79 I 8.15 4.67 1.94 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 1.51 1.50 1.14 0.00 0.00 80 H 9.49 5.14 0.00 3.51 3.21 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.49 4.11 4.43 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 1.40 0.00 0.00 82 G 9.14 4.02 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 0.00 0.00 0.00 83 D 8.12 4.52 0.00 2.77 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 84 A 8.62 4.73 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 85 L 9.27 4.95 0.00 1.60 1.77 1.03 0.92 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 86 A 8.66 4.73 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 *88 E 8.40 4.44 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 89 L 8.75 4.91 0.00 1.58 1.56 1.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.84 4.48 0.00 1.62 1.73 0.00 3.05 0.00 0.00 3.14 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 91 P 0.00 4.99 0.00 1.57 1.81 0.00 3.22 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.69 0.00 92 E 9.27 4.59 0.00 1.97 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 2.21 2.23 0.00 93 R 8.80 4.36 0.00 1.82 1.84 0.00 3.29 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 94 L 8.71 4.43 0.00 1.82 1.72 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.46 4.72 0.00 2.91 2.92 0.00 0.00 6.26 7.76 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 96 P 0.00 4.38 0.00 2.22 2.16 0.00 3.56 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 2.13 2.13 0.00 97 N 9.00 5.19 0.00 2.82 2.82 0.00 0.00 6.25 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 98 S 8.03 5.21 0.00 3.84 3.81 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 99 F 8.53 5.58 0.00 3.31 3.13 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 0.00 0.00 0.00 0.00 100 Q 9.35 4.96 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 101 V 8.71 4.77 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 0.32 0.00 0.00 1.29 0.00 0.00 102 H 8.84 5.37 0.00 3.22 3.15 0.00 5.58 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 0.00 103 F 9.17 5.17 0.00 3.08 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 0.00 104 E 8.99 4.96 0.00 2.01 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 2.27 2.33 0.00 105 F 9.48 5.04 0.00 3.21 3.06 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 0.00 106 R 9.23 5.29 0.00 1.74 1.84 0.00 3.09 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 107 C 8.73 4.85 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.83 3.66 0.00 2.15 1.99 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 2.25 2.34 0.00 109 E 8.34 3.87 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 110 Q 7.73 4.68 0.00 2.27 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 111 I 8.35 4.36 1.94 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 1.41 0.51 1.11 0.00 0.00 112 A 9.13 4.62 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 0.00 113 A 7.83 4.89 0.98 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 0.00 114 H 8.53 5.60 0.00 3.30 3.43 0.00 5.45 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.13 5.19 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 0.00 116 L 9.23 5.35 0.00 1.86 1.58 1.05 1.32 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 0.00 117 I 9.06 5.06 2.08 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 1.23 0.82 0.70 0.00 0.00 118 R 8.97 4.80 0.00 1.83 1.71 0.00 3.00 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 119 H 8.72 5.21 0.00 1.92 2.82 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.53 5.07 0.00 1.71 1.46 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.19 4.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.62 5.09 1.87 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 1.15 1.34 0.93 0.00 0.00 123 N 9.15 4.73 0.00 2.78 2.75 0.00 0.00 7.33 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 0.00 124 A 9.11 3.97 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 0.00 125 Q 8.45 4.26 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 126 T 8.40 4.16 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 1.19 0.00 0.00 127 R 8.22 3.99 0.00 2.00 2.08 0.00 3.32 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 1.59 1.75 0.00 128 H 8.08 4.64 0.00 3.08 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.58 4.64 0.00 1.71 1.89 0.00 3.19 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 130 C 8.73 4.88 0.00 2.94 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 0.00 131 A 8.51 4.58 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 0.00 132 L 8.43 4.15 0.00 1.60 1.68 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.41 0.00 2.14 1.95 0.00 3.65 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 134 E 8.96 4.09 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 135 G 8.01 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 0.00 0.00 0.00 136 I 7.65 3.75 1.97 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.94 0.65 0.00 0.00 137 D 8.26 4.36 0.00 2.94 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 0.00 138 R 8.25 3.93 0.00 2.15 2.18 0.00 3.20 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 139 W 8.14 2.97 0.00 2.91 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 0.00 140 L 7.96 3.48 0.00 1.71 1.60 0.84 0.65 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 0.00 141 E 8.23 3.99 0.00 2.17 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 2.37 0.00 142 A 7.99 4.19 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 0.00 143 S 7.34 4.59 0.00 3.54 3.59 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 0.00 0.00 0.00 0.00 144 G 7.68 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.