NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 Q 4.3399 8.3444 118.7931 56.2243 29.9578 173.9597 3 Y 4.5468 7.7007 119.4425 55.9202 42.0154 172.4406 4 A 4.4121 7.7114 126.8672 51.3211 22.9764 175.5858 5 T 4.2984 8.1395 117.7060 61.5397 69.5676 174.6329 6 L 4.1756 8.2723 127.4419 54.5169 42.2567 177.1599 7 E 4.1873 8.8355 122.2169 56.1540 30.5668 175.9321 8 L 3.7931 8.1656 117.9474 55.9590 38.9830 174.3011 9 N 5.0233 8.1050 108.7903 52.2689 39.2925 173.4823 10 N 4.9938 8.3601 116.4774 51.7096 40.9103 175.3300 11 A 4.2943 8.7143 125.1933 54.3067 19.6327 177.3175 12 F 4.7571 7.7017 116.3152 57.4419 42.1286 173.3084 13 K 4.3143 8.4605 128.4987 54.2503 35.0206 175.3020 14 V 3.4328 8.2034 128.2040 63.1715 31.6170 174.9114 15 L 4.3380 8.5259 129.7453 54.7865 41.5340 176.7406 16 F 4.8191 6.6223 110.3892 56.7399 40.9244 171.9835 17 S 5.4850 8.9200 114.5398 57.0392 66.8724 173.9561 18 L 4.3296 9.2593 123.3623 55.5624 45.3572 176.1254 19 R 3.5874 9.6785 126.1920 57.6970 27.5309 176.0551 20 Q 3.7978 7.9576 111.7486 56.4854 26.7799 173.3356 21 V 5.0418 7.8955 117.7612 61.1639 34.8446 174.0037 22 Q 5.1583 9.5576 128.5247 54.3353 32.0812 173.7705 23 A 4.9464 8.5806 127.3428 50.4582 21.8634 175.4614 24 A 4.5992 8.4054 121.1465 50.4131 23.3264 174.7697 25 E 4.6675 8.6739 122.0821 54.9678 31.9004 174.7906 26 M 5.3736 8.9188 125.7801 53.2597 35.8646 173.4975 27 V 4.8009 8.6261 126.2863 61.2076 34.4393 173.9879 28 I 4.6266 8.7758 129.2321 59.3814 39.3140 175.5564 29 A 4.5075 8.5433 128.6164 50.6413 20.0001 174.8507 30 P 4.3449 0.0000 0.0000 64.3871 31.6916 177.5781 31 G 3.9079 8.7127 110.9906 45.4828 0.0000 172.8818 32 D 5.0074 7.8196 120.0796 53.3156 43.4262 175.3043 33 R 5.0827 8.0661 114.4193 55.3691 32.4216 174.2208 34 E 4.6631 9.1321 119.6035 53.6489 33.9591 175.4063 35 G 3.9773 9.0537 109.0150 45.3359 0.0000 176.3234 36 G 4.5425 8.8390 111.1945 42.9034 0.0000 170.3389 37 P 4.4329 0.0000 0.0000 62.6876 32.6997 175.8340 38 D 5.0239 8.1960 122.8377 53.6505 39.6502 176.4201 39 N 4.8257 8.6841 114.1422 52.8434 39.6138 176.2889 40 R 3.8802 9.2407 120.5611 58.7897 30.7078 175.1330 41 H 5.2320 7.5922 114.3675 54.2036 32.0281 173.4340 42 R 3.9156 8.3043 121.6018 57.4545 30.3358 178.2507 43 G 3.9524 8.7099 113.7103 46.3942 0.0000 172.5299 44 A 4.9755 8.2257 123.1696 50.6317 22.8931 175.3647 45 D 4.8270 9.3832 121.1649 54.2756 42.7839 175.3033 46 Q 4.9300 9.1361 123.0854 54.2295 32.0420 173.9178 47 W 5.1800 9.4086 127.1974 54.9427 31.6727 174.7606 48 L 5.2600 9.3259 127.2101 53.1800 44.8126 174.5784 49 F 5.3944 9.3226 128.6563 56.4243 42.2891 174.0079 50 V 4.1332 7.7290 126.6600 61.9401 31.8770 176.5482 51 V 3.6987 8.5599 129.5330 65.7737 32.1474 175.4148 52 D 4.4600 8.0058 117.2366 54.0691 44.7172 175.2675 53 G 4.1677 9.6689 108.5579 44.5280 0.0000 172.1185 54 A 4.7679 7.8319 118.0566 50.5941 22.7560 175.8955 55 G 4.1991 8.7331 106.3233 45.9282 0.0000 171.7800 56 E 5.2652 8.8087 121.1210 55.0118 34.0013 174.9196 57 A 5.1500 8.9688 127.1497 50.2852 21.8226 175.4616 58 I 4.8796 8.7782 124.2905 59.4508 39.6800 175.4194 59 V 4.6599 8.4462 126.5709 61.4849 34.1475 176.4951 60 D 4.3672 8.7519 127.3783 54.1211 40.5445 175.4354 61 G 5.2200 7.6262 119.3995 46.3575 0.0000 170.8297 62 H 5.0408 7.2669 115.4560 53.8475 31.9433 171.5731 63 T 5.1309 8.2019 108.2534 59.9218 72.0469 173.1369 64 Q 4.5467 8.8085 123.0259 54.0492 31.9893 174.3764 65 A 4.5523 8.8222 128.5294 52.0808 19.4748 176.2689 66 L 4.9215 9.0458 121.1737 52.9902 45.4068 175.8321 67 Q 4.9822 9.1547 120.1483 54.0693 33.0642 173.9241 68 A 3.9219 8.4552 122.2950 54.0245 18.4411 177.9726 69 G 4.0323 8.5701 112.6967 44.9232 0.0000 174.0871 70 S 4.3579 8.0068 117.0256 58.4886 64.0788 173.0994 71 L 5.3480 8.5116 124.8458 53.4156 44.7372 175.2505 72 I 4.6892 9.0185 125.4868 59.0576 41.7817 173.5782 73 A 4.5249 8.3917 129.7064 50.0679 20.9868 175.3315 74 I 4.1678 8.3740 124.5906 59.4764 39.0872 175.4227 75 E 4.5340 8.6584 128.9836 55.7261 30.1938 176.6709 76 R 4.0957 8.4699 123.0780 56.7515 30.0803 176.7924 77 G 4.2434 9.1816 107.9310 45.4037 0.0000 172.9582 78 Q 4.5221 7.6815 116.9832 53.2721 31.4510 175.0102 79 A 4.3712 8.5512 125.0684 52.4125 19.5357 175.8665 80 H 4.9374 8.5467 116.5417 55.2113 31.5560 172.2211 81 E 5.5874 8.7921 115.5883 55.7697 33.4678 173.7879 82 I 5.0783 8.7630 121.5623 59.4576 40.3413 174.9586 83 R 4.9495 9.1526 123.1812 54.2957 32.9967 174.1298 84 N 4.9783 9.1134 121.8994 52.9799 39.5630 175.0757 85 T 4.3397 8.3296 116.2748 61.3299 69.5266 174.7218 86 G 4.1470 8.1923 112.4838 44.5656 0.0000 173.5130 87 D 4.8409 8.5685 118.2186 52.9728 39.6984 175.4906 88 T 4.7805 7.3519 108.7100 59.0734 72.0220 171.8541 89 P 4.4147 0.0000 0.0000 62.9737 32.3632 176.1747 90 L 4.5270 8.9236 126.8000 53.9014 42.9638 174.9696 91 K 4.9005 8.7911 127.5384 55.2089 33.6688 176.2151 92 T 5.2900 9.0928 115.2595 59.7732 72.9944 173.0013 93 V 4.7019 8.6349 121.7362 60.0296 34.2010 174.2724 94 N 5.5090 9.0572 121.3956 51.3295 42.7269 173.3331 95 F 5.1561 9.0968 119.8698 55.9845 42.8955 173.4133 96 Y 5.4529 9.5249 121.6881 56.5754 40.9535 174.4533 97 H 5.4675 9.3029 123.2712 54.0028 33.0471 171.2695 98 P 5.7047 0.0000 0.0000 60.8075 33.2032 173.8872 99 P 4.5739 0.0000 0.0000 63.4372 31.3214 176.7100 100 A 4.3597 9.0435 124.0496 51.9928 20.7154 175.4656 101 Y 5.1279 7.9978 112.1230 55.8979 42.0851 174.6698 102 D 4.7513 8.8315 121.7861 51.9027 41.1516 177.2555 103 A 4.0562 8.5193 121.2231 55.1163 18.2379 178.3485 104 Q 4.2267 8.3780 112.8572 56.1423 29.0313 176.8002 105 G 4.0233 8.4969 106.8010 45.2202 0.0000 173.0721 106 E 4.4183 8.1008 120.5210 54.0635 30.7582 173.6581 107 P 4.5938 0.0000 0.0000 62.7324 32.1661 176.2611 108 L 4.3907 8.5458 123.6186 53.6781 42.9583 174.9550 109 P 4.7850 0.0000 0.0000 62.3742 32.2539 176.0833 110 A 3.9246 8.5094 124.7100 53.3510 19.0162 178.0221 111 G 4.1479 8.6871 110.0929 46.0131 0.0000 173.4743 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 Q 8.34 4.34 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 3 Y 7.70 4.55 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 4 A 7.71 4.41 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 5 T 8.14 4.30 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 1.32 0.00 0.00 6 L 8.27 4.18 0.00 1.56 1.64 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.84 4.19 0.00 1.91 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 0.00 2.27 2.38 0.00 8 L 8.17 3.79 0.00 1.75 1.69 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.11 5.02 0.00 2.75 2.81 0.00 0.00 6.17 8.04 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 10 N 8.36 4.99 0.00 2.73 2.68 0.00 0.00 6.89 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 11 A 8.71 4.29 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 12 F 7.70 4.76 0.00 2.91 2.84 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 13 K 8.46 4.31 0.00 1.66 1.40 0.00 1.61 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.18 1.26 7.81 14 V 8.20 3.43 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 0.83 0.00 0.00 0.92 0.00 0.00 15 L 8.53 4.34 0.00 0.97 0.96 0.52 0.93 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 16 F 6.62 4.82 0.00 3.04 3.12 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 0.00 17 S 8.92 5.49 0.00 3.83 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.26 4.33 0.00 1.91 1.56 0.94 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 R 9.68 3.59 0.00 1.93 1.95 0.00 3.37 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 20 Q 7.96 3.80 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 21 V 7.90 5.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.87 0.00 0.00 22 Q 9.56 5.16 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 23 A 8.58 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.41 4.60 0.82 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 25 E 8.67 4.67 0.00 1.84 1.60 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 2.13 2.15 0.00 26 M 8.92 5.37 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.41 0.00 27 V 8.63 4.80 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 0.96 0.00 0.00 0.97 0.00 0.00 28 I 8.78 4.63 1.88 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 1.37 0.65 0.91 0.00 0.00 29 A 8.54 4.51 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 30 P 0.00 4.34 0.00 2.05 2.18 0.00 3.72 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 2.09 2.23 0.00 31 G 8.71 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 32 D 7.82 5.01 0.00 2.86 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 33 R 8.07 5.08 0.00 1.82 1.84 0.00 2.96 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 34 E 9.13 4.66 0.00 1.87 1.74 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 2.18 2.23 0.00 35 G 9.05 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 0.00 0.00 0.00 36 G 8.84 4.54 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 0.00 0.00 0.00 37 P 0.00 4.43 0.00 2.29 1.93 0.00 3.94 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.88 0.00 38 D 8.20 5.02 0.00 2.70 2.31 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 39 N 8.68 4.83 0.00 2.73 2.83 0.00 0.00 6.51 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 40 R 9.24 3.88 0.00 1.64 1.88 0.00 3.19 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 41 H 7.59 5.23 0.00 2.97 3.41 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.30 3.92 0.00 2.04 1.74 0.00 3.23 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 43 G 8.71 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 44 A 8.23 4.98 1.39 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 0.00 0.00 45 D 9.38 4.83 0.00 2.81 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 46 Q 9.14 4.93 0.00 2.33 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.04 0.00 47 W 9.41 5.18 0.00 3.48 3.24 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 48 L 9.33 5.26 0.00 1.75 1.53 1.01 0.56 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 49 F 9.32 5.39 0.00 3.24 3.04 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 50 V 7.73 4.13 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 0.84 0.00 0.00 0.82 0.00 0.00 51 V 8.56 3.70 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 0.82 0.00 0.00 1.09 0.00 0.00 52 D 8.01 4.46 0.00 2.79 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 53 G 9.67 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.83 4.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.73 4.20 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 0.00 0.00 0.00 56 E 8.81 5.27 0.00 2.01 1.73 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 2.20 2.43 0.00 57 A 8.97 5.15 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 58 I 8.78 4.88 1.86 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 1.28 1.28 0.89 0.00 0.00 59 V 8.45 4.66 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 0.58 0.00 0.00 0.90 0.00 0.00 60 D 8.75 4.37 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.63 5.22 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 0.00 62 H 7.27 5.04 0.00 3.25 3.36 0.00 5.40 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.20 5.13 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 1.20 0.00 0.00 64 Q 8.81 4.55 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 65 A 8.82 4.55 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 66 L 9.05 4.92 0.00 1.51 1.49 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 9.15 4.98 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 68 A 8.46 3.92 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 69 G 8.57 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.01 4.36 0.00 3.73 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 71 L 8.51 5.35 0.00 1.91 1.67 1.32 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 I 9.02 4.69 1.87 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 1.08 1.39 0.97 0.00 0.00 73 A 8.39 4.52 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.37 4.17 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.65 0.72 0.00 0.00 75 E 8.66 4.53 0.00 1.90 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 2.28 2.42 0.00 76 R 8.47 4.10 0.00 1.88 2.04 0.00 3.13 0.00 0.00 3.09 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.46 0.00 77 G 9.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.68 4.52 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 79 A 8.55 4.37 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 80 H 8.55 4.94 0.00 3.31 3.23 0.00 5.54 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.79 5.59 0.00 2.14 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 2.19 2.13 0.00 82 I 8.76 5.08 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 1.35 1.02 0.93 0.00 0.00 83 R 9.15 4.95 0.00 1.78 1.97 0.00 2.86 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 84 N 9.11 4.98 0.00 2.78 2.88 0.00 0.00 6.69 7.72 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 85 T 8.33 4.34 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 1.20 0.00 0.00 86 G 8.19 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 87 D 8.57 4.84 0.00 2.75 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 88 T 7.35 4.78 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 1.21 0.00 0.00 89 P 0.00 4.41 0.00 1.95 2.02 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 90 L 8.92 4.53 0.00 1.74 1.70 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.79 4.90 0.00 1.74 1.71 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 92 T 9.09 5.29 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 1.19 0.00 0.00 93 V 8.63 4.70 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 1.01 0.00 0.00 0.65 0.00 0.00 94 N 9.06 5.51 0.00 2.47 2.26 0.00 0.00 6.43 8.08 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 95 F 9.10 5.16 0.00 2.90 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 96 Y 9.52 5.45 0.00 3.03 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 H 9.30 5.47 0.00 3.33 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 5.70 0.00 2.20 2.11 0.00 3.58 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.84 0.00 99 P 0.00 4.57 0.00 2.01 2.12 0.00 3.78 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 2.22 0.00 100 A 9.04 4.36 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 0.00 101 Y 8.00 5.13 0.00 2.96 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 0.00 102 D 8.83 4.75 0.00 2.92 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 0.00 103 A 8.52 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 0.00 104 Q 8.38 4.23 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.70 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 105 G 8.50 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 0.00 106 E 8.10 4.42 0.00 2.07 2.23 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 2.33 2.36 0.00 107 P 0.00 4.59 0.00 1.49 1.69 0.00 3.64 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 1.89 2.21 0.00 108 L 8.55 4.39 0.00 1.66 1.52 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.79 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 110 A 8.51 3.92 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 0.00 111 G 8.69 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 * Residues marked with a * may have inaccurate shift predictions.