NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 M 4.4815 8.3049 118.7933 54.1447 33.4768 175.7593 2 D 4.5985 8.0710 120.2081 52.7071 42.2239 174.5897 3 K 4.1813 9.0280 122.6142 56.5589 34.0962 176.7013 4 K 4.2664 7.8914 122.8205 55.8401 34.5005 175.5307 5 T 5.3204 9.4416 117.6553 61.9931 71.6296 173.3573 6 I 4.9655 9.0901 126.3010 59.2633 41.2206 173.4774 7 Y 5.1359 8.6436 129.8648 55.9550 41.4520 174.0106 8 F 4.9047 9.2595 127.2830 56.8512 40.6552 175.1999 9 I 5.3867 8.8440 124.2999 58.7639 41.1219 174.7730 10 S 4.5906 8.1460 118.6049 57.5406 66.0741 173.9270 11 T 3.8933 8.8640 115.7976 66.2193 69.0935 174.5413 12 G 4.8994 7.8798 105.1537 43.7353 0.0000 172.2662 13 N 5.6052 8.1972 116.6209 52.3616 36.7810 172.9052 14 S 4.9843 8.3016 116.2489 58.8555 65.3022 174.4888 15 A 4.7579 8.1124 117.7939 52.7793 21.2281 177.9447 16 R 3.7767 7.8022 113.6896 59.0513 30.7132 179.5587 17 S 4.0998 7.9811 113.1776 61.4441 63.0073 176.3324 18 Q 4.0254 7.9635 121.2691 59.0754 28.5063 178.2659 19 M 3.9162 8.3451 119.7816 57.9590 31.9299 178.7289 20 A 3.6806 7.8818 121.2011 54.8508 18.3372 179.2423 21 E 4.0236 8.2101 118.0678 59.2545 29.5759 179.2151 22 G 3.4969 8.1834 105.7687 47.7089 0.0000 175.7185 23 W 4.4795 8.2928 122.5420 59.1750 29.0497 178.7823 24 G 3.8778 8.8163 106.0342 48.0112 0.0000 175.7832 25 K 4.0305 8.3389 121.3098 59.0348 31.8223 179.1704 26 E 3.9872 7.8307 118.6276 59.3555 29.7318 178.4567 27 I 4.1397 8.3242 118.6632 63.3700 37.8802 177.3615 28 L 4.8064 8.6189 117.9421 54.4617 41.9026 178.4264 29 G 4.0189 7.8092 106.7171 48.4112 0.0000 175.2521 30 E 4.3478 8.4605 119.2382 58.2293 29.8385 177.7795 31 G 4.2298 8.1697 102.7088 45.4667 0.0000 172.4976 32 W 5.8760 8.4987 118.9947 54.9543 33.7003 174.2653 33 N 4.7964 9.6196 121.1965 52.1793 39.7619 174.1241 34 V 4.8185 8.1009 123.8051 61.4050 33.4651 174.1562 35 Y 5.1619 8.9060 124.5021 56.5254 42.5381 174.2862 36 S 5.5113 8.7900 113.6383 57.7350 66.5322 172.5574 37 A 4.8380 8.7809 121.7302 51.7103 22.8248 175.0326 38 G 4.8459 8.8203 105.4879 45.3844 0.0000 173.9760 39 I 3.9330 8.5273 120.5502 63.8822 37.7543 176.2214 40 E 4.4842 8.1625 119.2862 54.8888 33.9686 175.4393 41 T 4.1388 8.6847 110.6465 60.4698 68.7969 176.0677 42 H 4.2265 8.6696 121.6794 54.1619 27.4176 176.1301 43 G 3.9102 7.8700 105.8669 44.7563 0.0000 172.5065 44 V 4.0574 7.9610 118.4896 61.3815 31.9552 175.1642 45 N 4.3292 8.7855 126.9287 53.2847 39.5626 173.4046 46 P 4.1341 0.0000 0.0000 65.9639 31.3521 178.8763 47 K 3.2682 8.0381 116.6551 58.6611 31.6364 179.4045 48 A 3.9643 7.3055 120.9249 55.0159 18.3678 179.5329 49 I 3.4832 7.5290 118.3043 64.5169 37.1543 178.5673 50 E 3.6664 7.7462 119.1376 59.1178 28.8410 179.2178 51 A 3.7912 7.6096 120.9498 55.4467 18.3445 179.6505 52 M 3.9492 7.9003 117.1157 58.0674 31.9892 178.8981 53 K 3.9085 8.0498 119.9707 59.2760 32.0659 178.4737 54 E 4.0769 8.0086 119.0500 58.2442 29.4854 178.1086 55 V 4.3471 6.7587 111.0188 60.4174 32.8212 175.1573 56 D 4.4034 7.9731 116.0923 55.6762 38.6618 173.9670 57 I 4.2337 7.7257 118.8092 59.3646 39.8257 174.9549 58 D 4.5291 8.5824 125.4913 53.0823 41.2801 175.3918 59 I 4.0550 7.8287 119.2761 60.3461 37.9397 177.3957 60 S 4.1256 8.3998 116.7611 60.6761 62.8210 174.3152 61 N 4.7235 7.8086 117.8705 53.4951 39.0168 174.1804 62 H 4.5525 7.9180 114.4003 56.4550 29.4164 174.6001 63 T 4.5507 8.1539 110.7876 59.9618 70.9210 173.8005 64 S 4.7996 8.4984 118.3130 57.4314 63.1306 172.7274 65 D 5.1784 9.9845 127.6430 52.4449 44.4529 175.8641 66 L 4.9875 8.2558 120.0873 52.7929 43.5580 176.8109 67 I 3.6245 8.2415 121.6625 61.7855 37.2143 176.0656 68 D 4.7152 9.3189 126.6020 52.7513 41.9582 176.2850 69 N 4.3742 8.9232 128.8190 57.3908 38.7035 176.8659 70 D 4.3289 8.6625 122.4577 58.2094 40.2623 182.5015 71 I 3.8212 7.4972 120.1886 63.7550 37.2264 177.8810 72 L 4.2169 8.2654 123.8472 58.9703 41.7534 179.9678 73 K 4.1199 8.1584 122.2001 59.0413 31.5632 179.7966 74 Q 4.6602 7.3557 114.6938 55.1190 29.3655 175.3923 75 S 4.6740 7.3222 116.9140 57.8274 64.4604 174.1292 76 D 4.6930 9.0117 124.4444 56.3645 42.2536 176.4639 77 L 5.2021 7.9626 119.5572 53.2796 45.8790 175.0876 78 V 4.5718 8.7379 126.2258 61.0209 34.1197 174.1763 79 V 4.4517 8.1826 128.2124 61.0914 33.6177 174.1714 80 T 4.8289 8.4025 119.1227 61.0232 70.3480 175.2715 81 L 5.4724 9.6240 124.4716 54.1193 43.5103 176.2161 82 S 5.0118 7.8111 112.8754 55.5105 66.5447 175.1353 83 S 4.0580 8.6905 117.5274 61.6321 62.3780 176.3001 84 D 4.2930 8.1508 120.1375 57.4091 40.7309 178.2160 85 A 3.9560 7.6129 119.4000 55.1645 18.4180 178.8159 86 D 4.3357 7.9929 116.5649 57.5661 41.0982 178.1577 87 N 4.4279 8.5859 115.9120 55.1777 38.6173 176.0875 88 N 4.8369 7.4000 115.8348 51.8054 39.2519 174.2696 89 C 4.1789 7.1887 122.3151 58.4303 31.9655 171.8783 90 P 4.6034 0.0000 0.0000 61.3129 32.2729 175.7048 91 I 3.7376 8.1122 120.1555 61.9421 37.2087 176.3407 92 L 4.5873 8.1204 124.7602 52.3146 43.6452 174.6134 93 P 4.4237 0.0000 0.0000 62.0366 31.8185 176.0472 94 P 4.3036 0.0000 0.0000 65.6579 31.3423 177.5293 95 N 4.5014 8.0268 113.7511 54.4632 37.8994 175.1141 96 V 4.0564 7.7276 122.4047 62.8544 32.3734 176.0795 97 K 4.7785 8.6353 130.4347 53.5892 34.4657 172.7383 98 K 5.0468 8.4781 122.3436 54.7496 35.4509 175.1933 99 E 4.8418 9.0665 125.1763 54.8255 34.1050 173.9010 100 H 5.2287 8.9146 122.4867 53.8046 31.8700 174.0839 101 W 4.6601 8.8740 126.9246 54.4816 29.9193 174.4403 102 G 3.9038 7.8510 110.6370 45.8929 0.0000 170.1906 103 F 5.0645 8.6489 121.5126 55.1304 43.0032 174.8589 104 D 4.3970 8.8728 121.4730 54.3758 41.2905 175.8785 105 D 4.5118 8.4568 122.5898 52.9453 41.3227 174.5709 106 P 4.0633 0.0000 0.0000 63.5847 31.8609 176.1147 107 A 4.2577 7.7008 122.5690 54.2186 18.4484 178.1682 108 G 3.9744 9.1012 109.7189 45.5610 0.0000 173.4176 109 K 4.5025 7.7780 118.9373 54.5314 34.2324 175.7211 110 E 4.5030 8.4390 119.1993 55.7161 30.4067 178.1448 111 W 4.4495 9.3423 120.3035 60.4956 28.9651 178.5898 112 S 4.2662 8.5839 113.3528 62.1292 62.0188 176.5316 113 E 4.0688 8.5731 121.7409 59.0229 29.1065 179.2735 114 F 3.9791 8.3645 117.5710 60.2892 39.0309 177.6720 115 Q 4.0561 8.5436 118.0659 58.8534 28.5817 178.5228 116 R 3.8807 8.0745 119.6529 59.6533 30.1059 178.7269 117 V 3.6054 7.7509 117.9352 65.7552 31.4689 177.6971 118 R 3.9728 8.2708 118.8233 59.9433 29.9742 178.3119 119 D 4.3225 8.2553 118.1690 57.0082 40.7930 178.6894 120 E 4.0188 8.1748 119.5274 59.3565 29.4641 179.3331 121 I 3.2208 7.7307 120.1995 63.7655 36.9721 178.2876 122 K 2.7903 7.4924 120.4529 59.0203 31.7931 178.4845 123 L 3.8616 7.6344 120.1790 58.0615 41.9580 178.7616 124 A 3.7454 7.9210 120.5763 55.2562 18.3310 179.7572 125 I 3.9363 7.8513 118.3339 64.4592 37.2901 178.5687 126 E 3.9690 8.3001 119.7044 59.4623 29.0883 179.6352 127 K 3.9953 7.9219 117.3450 59.0957 32.1803 178.9135 128 F 4.2403 8.1603 121.2298 61.2423 39.1340 177.1780 129 K 3.9491 8.0790 117.9670 58.8162 32.0276 177.7299 130 L 4.4525 7.2397 116.4363 54.4091 41.8146 176.8445 131 R 4.0411 7.4319 124.1874 56.6110 29.9676 176.4052 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 4.48 0.00 1.77 1.91 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 2.42 2.63 0.00 2 D 8.07 4.60 0.00 2.68 2.57 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 3 K 9.03 4.18 0.00 1.60 1.75 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.44 7.81 4 K 7.89 4.27 0.00 0.79 0.96 0.00 0.72 0.00 0.00 1.25 0.00 0.00 2.69 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 0.82 7.81 5 T 9.44 5.32 4.44 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 1.35 0.00 0.00 6 I 9.09 4.97 1.48 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.96 0.84 0.00 0.00 7 Y 8.64 5.14 0.00 2.87 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 8 F 9.26 4.90 0.00 3.10 2.86 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 9 I 8.84 5.39 1.68 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.37 0.76 0.00 0.00 10 S 8.15 4.59 0.00 3.86 3.90 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 11 T 8.86 3.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 12 G 7.88 4.90 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 0.00 0.00 0.00 13 N 8.20 5.61 0.00 2.93 2.74 0.00 0.00 6.86 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 14 S 8.30 4.98 0.00 4.01 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 15 A 8.11 4.76 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 16 R 7.80 3.78 0.00 1.86 1.98 0.00 3.25 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 17 S 7.98 4.10 0.00 4.08 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 18 Q 7.96 4.03 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 19 M 8.35 3.92 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.46 0.00 20 A 7.88 3.68 0.35 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 21 E 8.21 4.02 0.00 2.17 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 0.00 2.19 2.32 0.00 22 G 8.18 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.29 4.48 0.00 3.26 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 24 G 8.82 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 25 K 8.34 4.03 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.66 7.81 26 E 7.83 3.99 0.00 2.04 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 0.00 2.43 2.51 0.00 27 I 8.32 4.14 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 1.65 1.02 0.99 0.00 0.00 28 L 8.62 4.81 0.00 1.88 1.79 0.80 1.12 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 29 G 7.81 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 30 E 8.46 4.35 0.00 2.04 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 2.36 2.44 0.00 31 G 8.17 4.23 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 0.00 32 W 8.50 5.88 0.00 3.31 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 33 N 9.62 4.80 0.00 2.80 2.80 0.00 0.00 6.51 7.63 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 34 V 8.10 4.82 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 1.02 0.00 0.00 1.07 0.00 0.00 35 Y 8.91 5.16 0.00 2.84 2.79 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 36 S 8.79 5.51 0.00 3.94 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.78 4.84 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 38 G 8.82 4.85 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 0.00 0.00 0.00 39 I 8.53 3.93 1.99 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 1.30 0.70 0.89 0.00 0.00 40 E 8.16 4.48 0.00 1.75 1.68 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 2.22 2.22 0.00 41 T 8.68 4.14 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 1.28 0.00 0.00 42 H 8.67 4.23 0.00 3.34 3.56 0.00 5.76 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 43 G 7.87 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.96 4.06 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 0.74 0.00 0.00 0.94 0.00 0.00 45 N 8.79 4.33 0.00 2.85 2.76 0.00 0.00 6.74 7.26 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 46 P 0.00 4.13 0.00 2.07 2.01 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 47 K 8.04 3.27 0.00 0.79 0.74 0.00 1.33 0.00 0.00 1.33 0.00 0.00 3.27 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.98 1.05 7.81 48 A 7.31 3.96 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 49 I 7.53 3.48 1.87 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 1.39 0.63 0.78 0.00 0.00 50 E 7.75 3.67 0.00 1.16 1.12 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 2.20 2.16 0.00 51 A 7.61 3.79 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 52 M 7.90 3.95 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.68 0.00 53 K 8.05 3.91 0.00 1.80 1.85 0.00 1.61 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.39 7.81 54 E 8.01 4.08 0.00 2.20 2.15 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 2.40 2.45 0.00 55 V 6.76 4.35 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 0.99 0.00 0.00 0.72 0.00 0.00 56 D 7.97 4.40 0.00 2.84 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 57 I 7.73 4.23 1.38 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.45 0.59 0.00 0.00 58 D 8.58 4.53 0.00 2.55 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 4.05 1.31 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.62 0.00 0.00 60 S 8.40 4.13 0.00 3.93 3.96 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 61 N 7.81 4.72 0.00 2.68 2.85 0.00 0.00 7.05 7.89 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 62 H 7.92 4.55 0.00 3.24 3.27 0.00 5.68 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 63 T 8.15 4.55 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 1.23 0.00 0.00 64 S 8.50 4.80 0.00 3.92 3.85 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 65 D 9.98 5.18 0.00 2.65 2.57 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 66 L 8.26 4.99 0.00 1.54 1.60 0.93 1.02 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 67 I 8.24 3.62 1.84 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 1.10 0.56 0.86 0.00 0.00 68 D 9.32 4.72 0.00 2.71 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 69 N 8.92 4.37 0.00 2.80 2.81 0.00 0.00 7.27 8.49 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 70 D 8.66 4.33 0.00 2.77 2.57 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 71 I 7.50 3.82 1.44 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.52 -0.41 0.00 0.00 72 L 8.27 4.22 0.00 2.07 1.90 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.16 4.12 0.00 1.89 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.35 7.81 74 Q 7.36 4.66 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 75 S 7.32 4.67 0.00 4.05 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 76 D 9.01 4.69 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.96 5.20 0.00 1.91 1.42 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.74 4.57 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 0.82 0.00 0.00 0.97 0.00 0.00 79 V 8.18 4.45 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 -0.19 0.00 0.00 -0.39 0.00 0.00 80 T 8.40 4.83 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 1.14 0.00 0.00 81 L 9.62 5.47 0.00 1.66 1.94 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.81 5.01 0.00 3.96 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 83 S 8.69 4.06 0.00 3.89 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 84 D 8.15 4.29 0.00 2.78 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 85 A 7.61 3.96 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 86 D 7.99 4.34 0.00 2.67 2.61 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 0.00 0.00 0.00 0.00 87 N 8.59 4.43 0.00 2.65 2.84 0.00 0.00 6.99 7.99 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 88 N 7.40 4.84 0.00 2.77 2.81 0.00 0.00 6.94 7.55 0.00 0.00 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 C 7.19 4.18 0.00 3.08 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 90 P 0.00 4.60 0.00 2.07 1.99 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 91 I 8.11 3.74 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 1.41 0.73 0.91 0.00 0.00 92 L 8.12 4.59 0.00 1.63 1.59 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.42 0.00 2.29 1.97 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 94 P 0.00 4.30 0.00 2.04 2.14 0.00 3.67 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 2.03 2.10 0.00 95 N 8.03 4.50 0.00 2.84 2.95 0.00 0.00 5.95 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 96 V 7.73 4.06 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 0.78 0.00 0.00 1.02 0.00 0.00 97 K 8.64 4.78 0.00 1.51 1.64 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.29 1.23 7.81 98 K 8.48 5.05 0.00 1.67 1.64 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.49 7.81 99 E 9.07 4.84 0.00 1.78 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 2.37 2.33 0.00 100 H 8.91 5.23 0.00 3.31 3.25 0.00 5.68 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 0.00 101 W 8.87 4.66 0.00 3.38 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 0.00 102 G 7.85 3.90 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 0.00 0.00 0.00 103 F 8.65 5.06 0.00 2.91 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.87 4.40 0.00 2.68 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 0.00 105 D 8.46 4.51 0.00 2.61 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 0.00 106 P 0.00 4.06 0.00 0.49 1.66 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.44 0.00 107 A 7.70 4.26 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 0.00 108 G 9.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 7.78 4.50 0.00 1.95 1.86 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.52 7.81 110 E 8.44 4.50 0.00 2.16 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 0.00 2.47 2.41 0.00 111 W 9.34 4.45 0.00 3.30 3.39 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 0.00 112 S 8.58 4.27 0.00 4.13 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 0.00 113 E 8.57 4.07 0.00 2.18 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 2.38 2.51 0.00 114 F 8.36 3.98 0.00 3.21 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 0.00 115 Q 8.54 4.06 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 116 R 8.07 3.88 0.00 1.93 2.09 0.00 3.12 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.67 0.00 117 V 7.75 3.61 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 0.92 0.00 0.00 0.96 0.00 0.00 118 R 8.27 3.97 0.00 2.12 2.27 0.00 3.30 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 119 D 8.26 4.32 0.00 2.75 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 0.00 120 E 8.17 4.02 0.00 2.27 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 0.00 2.39 2.59 0.00 121 I 7.73 3.22 1.81 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.70 0.00 0.00 122 K 7.49 2.79 0.00 0.79 1.29 0.00 0.65 0.00 0.00 1.08 0.00 0.00 2.89 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.76 0.21 7.81 123 L 7.63 3.86 0.00 1.79 1.72 0.83 0.73 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 0.00 124 A 7.92 3.75 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 I 7.85 3.94 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 1.92 0.95 1.08 0.00 0.00 126 E 8.30 3.97 0.00 2.04 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 2.24 2.33 0.00 127 K 7.92 4.00 0.00 1.61 1.79 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.57 7.81 128 F 8.16 4.24 0.00 3.19 3.36 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 0.00 129 K 8.08 3.95 0.00 1.99 2.07 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.71 7.81 130 L 7.24 4.45 0.00 1.66 1.64 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.43 4.04 0.00 1.58 1.78 0.00 2.95 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.