NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4459 8.3193 115.4152 57.8344 64.9640 172.3592 -1 N 4.6087 7.5538 117.1866 51.4066 40.0334 174.1360 0 A 4.2003 8.3350 120.8835 52.3998 16.4629 177.6251 3 E 4.2483 8.7097 126.1941 56.1875 29.7196 176.8633 4 I 3.6177 7.6204 117.3725 64.3462 37.2673 177.5873 5 F 4.5428 7.9423 117.1832 60.2242 39.5299 177.2075 6 I 3.9225 7.8471 120.9564 64.1000 37.3473 176.4993 7 R 4.4564 7.3474 118.2086 55.9448 30.0062 176.7963 8 A 4.2070 7.6568 120.1858 51.6287 19.5160 177.8056 9 N 4.4116 8.6745 119.5220 53.5165 39.7275 175.6447 10 Q 3.6115 8.9087 126.4941 59.3598 29.1903 178.4414 11 R 3.8079 7.8517 119.6682 59.0111 29.9634 178.5116 12 S 4.3024 8.2435 114.5113 60.5223 62.5806 174.7727 13 Y 5.1371 7.0701 118.8303 56.5367 38.6653 176.3010 14 S 4.4221 8.0074 115.7311 58.5501 64.7426 173.1071 15 V 4.7108 8.3141 122.0092 62.0690 32.6496 174.9811 16 Q 4.8032 9.4951 126.2413 54.0997 32.4609 174.2608 17 A 5.0056 8.7859 125.4763 51.4793 20.0960 176.6846 18 R 4.5562 9.4048 120.1343 54.3182 34.6908 174.2280 19 S 5.0886 8.5503 116.6118 57.1560 63.7515 173.1900 20 L 4.8129 9.1842 126.7829 52.9546 45.5480 175.9555 21 R 4.7043 8.6823 123.6417 55.2234 30.3737 175.2385 22 L 4.0419 8.6548 127.7976 53.5822 42.6722 177.1330 23 H 4.0559 9.9303 123.8978 56.8514 26.2377 176.0216 24 G 3.8891 8.3711 105.7773 44.9160 0.0000 173.0692 25 V 4.3252 7.3835 120.4606 60.5060 33.5681 174.6676 26 A 4.5635 8.7381 130.6811 52.5946 18.9185 176.4832 27 T 4.6095 9.1650 113.1770 59.8912 72.4556 173.2280 28 S 4.8491 8.8226 119.9852 57.9211 63.2390 172.9933 29 V 4.3711 9.3891 128.6994 61.5645 33.2729 174.6521 30 R 5.1266 8.7698 126.9583 54.6803 31.6588 175.1129 31 L 4.7353 8.6357 123.8207 52.1622 46.0503 176.6524 32 E 4.5916 8.9378 121.2906 56.7302 30.3801 177.7693 33 Q 4.2513 9.1456 124.0190 59.8078 28.9790 179.2656 34 L 3.9191 8.2438 121.0819 58.0120 41.9540 179.0508 35 F 4.1055 7.9627 117.9359 60.2119 38.8151 177.4797 36 W 4.5399 8.1080 118.0826 60.1020 29.0191 178.0002 37 D 4.4591 8.5816 118.9513 57.5280 40.2353 179.2163 38 V 3.6756 8.0100 118.7087 65.9542 31.4820 178.0456 39 L 3.9452 8.4277 119.2250 57.8810 41.4193 179.4249 40 E 4.0059 8.5157 118.6460 59.2897 29.3813 178.9929 41 E 3.9560 8.1710 119.1851 59.2077 29.4877 178.9326 42 I 3.3624 7.5466 118.6693 64.1843 37.3892 177.8604 43 A 4.1111 8.2165 121.6008 55.2598 18.2148 179.5590 44 A 3.9803 8.1802 119.2013 55.3188 17.9772 179.8202 45 R 4.1325 8.1878 116.6555 58.7548 29.8117 177.9522 46 D 4.8021 7.6069 115.5433 53.4684 41.3457 175.5876 47 G 3.6690 7.5871 111.4040 46.0249 0.0000 173.7719 *49 R 4.1350 7.5989 121.7649 55.9105 32.9502 175.9795 50 V 3.7282 8.3959 122.8041 65.4455 31.2049 178.8270 51 T 3.9605 7.8774 109.7776 64.6450 68.5925 176.2270 52 Q 3.9874 8.0495 121.9998 58.5468 29.1034 177.3720 53 L 3.9863 8.0055 121.5028 58.5149 42.1004 179.2127 54 I 3.9445 7.9426 119.4120 64.5119 37.1103 178.2529 55 E 4.0834 8.4336 119.4386 59.6106 29.2818 179.7547 56 R 4.0256 8.4129 118.2119 59.0859 30.0435 178.9701 57 L 4.1334 8.3641 119.0663 58.0817 41.7055 178.7291 58 Y 3.6591 8.6401 119.6922 60.8291 38.7215 177.8807 59 D 4.4107 8.2467 119.4607 57.8015 41.0460 178.9849 60 E 4.0466 8.3828 118.7514 58.9664 29.3780 179.1847 61 L 3.8602 8.1141 121.0069 57.9063 42.0270 179.0071 62 V 3.3340 7.4668 118.2557 66.2001 31.1699 178.0324 63 Q 3.9624 7.6567 116.0493 59.0213 28.5764 177.9633 64 Y 4.3495 7.9705 119.6625 60.2032 39.0763 176.9457 65 R 4.2256 8.2198 115.8864 55.6873 31.2655 176.8645 66 G 4.0212 9.9705 107.4828 45.1395 0.0000 172.8964 67 E 4.4487 7.3665 114.2635 55.4282 32.7591 174.8867 68 A 4.4298 7.7533 120.3459 50.5478 18.4043 176.2037 69 A 4.1583 7.5632 124.4929 52.3351 20.0095 177.0964 70 N 4.2651 8.7998 114.3695 54.3159 36.5143 176.8411 71 F 4.4613 8.3344 120.7483 61.7389 39.8181 175.7725 72 T 3.6263 7.9436 114.9769 66.6365 68.3370 176.5825 73 S 3.9488 7.9830 116.5628 61.4194 62.8673 176.2254 74 F 4.0904 8.5109 123.6399 61.4214 39.2354 177.1064 75 L 3.4976 7.6528 118.5014 57.6538 41.3331 179.7158 76 R 3.0660 7.3507 117.8336 59.0891 29.8371 179.3826 77 V 3.5853 7.6119 117.8047 65.7712 31.4439 177.7174 78 C 3.8375 7.9232 117.1665 63.0156 27.9077 175.9669 79 C 4.2436 7.8657 117.7559 62.6603 27.7165 175.9649 80 L 4.0146 8.0997 121.9235 58.3569 41.7110 179.2542 81 R 3.9975 8.3894 118.4482 59.2102 29.9493 178.2895 82 Y 4.2034 8.1361 119.4269 61.0284 38.7537 178.4831 83 Q 3.7109 7.9869 118.3931 58.6414 28.7724 178.5229 84 V 3.5512 8.1296 119.7513 66.2784 31.5471 178.1907 85 L 3.9642 8.2913 118.8597 57.7361 41.5118 179.5621 86 Q 4.5485 8.2895 119.2638 58.4055 28.3791 178.5415 87 A 3.9828 8.0791 121.1882 55.1362 18.5297 178.9981 88 E 4.1552 8.2284 114.9645 56.8822 29.6986 178.0986 89 G 3.9084 7.6600 107.0088 45.8803 0.0000 174.7713 90 R 4.1328 8.0018 119.9628 57.1977 30.8458 176.9524 91 I 4.4690 7.3300 118.6232 58.2723 39.3713 173.1576 92 P 4.4106 0.0000 0.0000 62.9285 32.1418 177.3008 93 A 4.7213 8.2088 127.4643 50.0214 17.3390 177.4231 94 D 4.4308 7.4278 121.0436 52.3600 43.7053 174.8737 95 A 4.5187 8.7817 128.7468 53.0087 18.3080 177.3831 96 T 4.3189 7.9066 106.5886 61.9130 69.9020 174.8688 97 V 3.9980 7.4186 122.8257 60.8588 31.8942 173.8135 98 P 4.7375 0.0000 0.0000 62.1374 32.0522 177.7171 99 I 3.8014 9.2509 123.8002 64.5480 37.1657 178.6856 100 R 4.0742 8.3236 118.1448 58.4696 29.9293 178.0446 101 S 4.2581 7.7522 113.6020 60.5363 63.0404 174.6438 102 L 4.2481 7.5985 119.9772 54.0348 42.4972 176.7796 103 D 4.6274 8.2642 119.2271 52.8825 41.4067 176.3156 104 A 4.0048 8.4559 130.2033 55.1770 18.3616 178.6271 105 Q 3.8826 8.1318 117.3548 59.3405 28.9036 178.4556 106 A 3.9760 8.0791 120.2680 55.0249 18.5501 179.2130 107 V 3.6240 7.5957 115.9146 65.9352 31.8118 177.6658 108 L 4.1473 7.8452 117.3570 54.3619 41.6178 176.5007 109 R 3.7229 7.0564 119.4536 57.6950 30.0246 176.2156 110 G 3.9023 8.8362 112.7944 46.0308 0.0000 173.1456 111 L 4.1981 7.0046 118.9748 53.1735 42.4252 175.3594 112 P 4.4034 0.0000 0.0000 62.8519 31.7446 177.8550 113 A 4.1348 8.5671 123.9754 54.7568 18.4974 178.3795 114 N 4.6284 8.1651 111.2566 53.9589 37.8459 175.5613 115 L 4.5559 7.8515 118.4933 55.5005 42.6832 175.4084 116 Y 4.8520 7.6474 114.4633 56.2849 40.3557 173.0712 117 D 4.7127 8.4863 120.5094 52.7568 42.4344 177.4501 118 S 4.3081 8.2626 117.3165 60.2363 63.6980 174.4118 119 R 4.1257 7.8909 122.0725 55.2352 30.1446 174.2187 120 P 4.5391 0.0000 0.0000 61.9747 32.1075 176.2994 121 L 4.2423 8.2439 120.8956 54.5218 42.2850 177.7385 122 G 3.7889 8.5842 108.1072 46.0890 0.0000 173.6740 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 S 8.32 4.45 0.00 4.00 4.06 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 -1 N 7.55 4.61 0.00 2.88 2.83 0.00 0.00 6.07 6.38 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 A 8.33 4.20 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 3 E 8.71 4.25 0.00 2.35 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 2.21 2.35 0.00 4 I 7.62 3.62 1.46 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 1.12 0.58 0.25 0.00 0.00 5 F 7.94 4.54 0.00 3.05 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 6 I 7.85 3.92 1.91 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 1.48 1.37 0.94 0.00 0.00 7 R 7.35 4.46 0.00 1.97 1.94 0.00 3.26 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 8 A 7.66 4.21 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 9 N 8.67 4.41 0.00 2.75 2.74 0.00 0.00 6.67 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 10 Q 8.91 3.61 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 11 R 7.85 3.81 0.00 1.81 2.04 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 12 S 8.24 4.30 0.00 4.13 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 13 Y 7.07 5.14 0.00 2.90 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 14 S 8.01 4.42 0.00 3.92 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 0.00 15 V 8.31 4.71 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 0.92 0.00 0.00 1.01 0.00 0.00 16 Q 9.50 4.80 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.79 0.00 17 A 8.79 5.01 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 18 R 9.40 4.56 0.00 1.25 1.43 0.00 2.21 0.00 0.00 2.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 19 S 8.55 5.09 0.00 3.87 3.74 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 L 9.18 4.81 0.00 1.59 1.54 1.04 0.93 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 21 R 8.68 4.70 0.00 1.80 1.86 0.00 3.19 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 22 L 8.65 4.04 0.00 1.11 0.13 0.51 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.93 4.06 0.00 3.30 3.35 0.00 5.73 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 24 G 8.37 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 0.00 0.00 0.00 25 V 7.38 4.33 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 1.00 0.00 0.00 0.92 0.00 0.00 26 A 8.74 4.56 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 27 T 9.16 4.61 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 1.16 0.00 0.00 28 S 8.82 4.85 0.00 3.94 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 29 V 9.39 4.37 2.47 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 0.93 0.00 0.00 1.13 0.00 0.00 30 R 8.77 5.13 0.00 1.75 1.92 0.00 3.25 0.00 0.00 3.27 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 31 L 8.64 4.74 0.00 0.27 0.89 -0.45 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.94 4.59 0.00 2.48 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 2.62 2.54 0.00 33 Q 9.15 4.25 0.00 2.28 2.43 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 2.42 2.52 0.00 34 L 8.24 3.92 0.00 1.83 1.38 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.96 4.11 0.00 3.10 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 36 W 8.11 4.54 0.00 3.57 3.18 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 0.00 0.00 0.00 0.00 37 D 8.58 4.46 0.00 2.90 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 38 V 8.01 3.68 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 1.15 0.00 0.00 0.96 0.00 0.00 39 L 8.43 3.95 0.00 2.00 1.80 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.52 4.01 0.00 2.30 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 2.38 2.43 0.00 41 E 8.17 3.96 0.00 2.12 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 2.40 2.42 0.00 42 I 7.55 3.36 1.78 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.09 0.70 0.00 0.00 43 A 8.22 4.11 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 44 A 8.18 3.98 1.41 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 45 R 8.19 4.13 0.00 2.07 2.04 0.00 3.33 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.95 0.00 46 D 7.61 4.80 0.00 2.60 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 47 G 7.59 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 *49 R 7.60 4.14 0.00 1.91 1.91 0.00 3.16 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 50 V 8.40 3.73 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 0.91 0.00 0.00 1.15 0.00 0.00 51 T 7.88 3.96 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 1.21 0.00 0.00 52 Q 8.05 3.99 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 53 L 8.01 3.99 0.00 1.85 1.91 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.94 3.94 2.07 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 1.28 0.00 0.00 55 E 8.43 4.08 0.00 2.22 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 2.54 2.56 0.00 56 R 8.41 4.03 0.00 2.14 2.04 0.00 3.29 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 57 L 8.36 4.13 0.00 2.26 2.22 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.64 3.66 0.00 2.67 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 59 D 8.25 4.41 0.00 3.00 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 60 E 8.38 4.05 0.00 2.01 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 2.44 2.48 0.00 61 L 8.11 3.86 0.00 1.53 1.46 0.57 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.47 3.33 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 0.98 0.00 0.00 0.22 0.00 0.00 63 Q 7.66 3.96 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 64 Y 7.97 4.35 0.00 2.93 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 65 R 8.22 4.23 0.00 1.90 1.83 0.00 3.28 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 66 G 9.97 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 67 E 7.37 4.45 0.00 1.96 1.83 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 2.11 2.24 0.00 68 A 7.75 4.43 0.51 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 69 A 7.56 4.16 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 70 N 8.80 4.27 0.00 2.96 2.91 0.00 0.00 6.55 8.13 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 71 F 8.33 4.46 0.00 3.44 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 72 T 7.94 3.63 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 1.08 0.00 0.00 73 S 7.98 3.95 0.00 4.01 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 74 F 8.51 4.09 0.00 3.10 3.18 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 0.00 0.00 0.00 0.00 75 L 7.65 3.50 0.00 1.40 1.29 0.61 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.35 3.07 0.00 1.63 1.31 0.00 2.77 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 77 V 7.61 3.59 1.94 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 1.07 0.00 0.00 0.88 0.00 0.00 78 C 7.92 3.84 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 79 C 7.87 4.24 0.00 3.49 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 80 L 8.10 4.01 0.00 1.89 1.70 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.39 4.00 0.00 1.94 1.99 0.00 3.21 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 82 Y 8.14 4.20 0.00 3.06 3.23 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 83 Q 7.99 3.71 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 84 V 8.13 3.55 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 1.10 0.00 0.00 0.97 0.00 0.00 85 L 8.29 3.96 0.00 1.83 1.67 0.94 0.83 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 86 Q 8.29 4.55 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.28 1.86 0.00 87 A 8.08 3.98 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 88 E 8.23 4.16 0.00 2.11 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 2.36 2.44 0.00 89 G 7.66 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 90 R 8.00 4.13 0.00 1.90 1.96 0.00 3.07 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 91 I 7.33 4.47 1.81 0.00 0.00 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 1.45 1.19 0.96 0.00 0.00 92 P 0.00 4.41 0.00 2.04 1.99 0.00 3.68 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 2.03 2.08 0.00 93 A 8.21 4.72 1.19 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 0.00 0.00 0.00 94 D 7.43 4.43 0.00 2.63 2.50 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 95 A 8.78 4.52 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 96 T 7.91 4.32 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 97 V 7.42 4.00 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 0.81 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.74 0.00 2.23 2.09 0.00 3.94 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 99 I 9.25 3.80 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.95 0.00 0.00 100 R 8.32 4.07 0.00 1.90 2.01 0.00 3.17 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 101 S 7.75 4.26 0.00 4.09 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 0.00 102 L 7.60 4.25 0.00 1.72 1.60 0.95 0.86 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 0.00 103 D 8.26 4.63 0.00 2.70 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 0.00 104 A 8.46 4.00 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 0.00 105 Q 8.13 3.88 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 106 A 8.08 3.98 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 0.00 107 V 7.60 3.62 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 0.85 0.00 0.00 1.02 0.00 0.00 108 L 7.85 4.15 0.00 1.58 1.22 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.06 3.72 0.00 1.94 1.80 0.00 3.32 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 1.62 1.57 0.00 110 G 8.84 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 0.00 111 L 7.00 4.20 0.00 1.21 1.60 0.73 1.11 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 0.00 112 P 0.00 4.40 0.00 2.35 2.02 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 113 A 8.57 4.13 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 0.00 114 N 8.17 4.63 0.00 2.87 2.97 0.00 0.00 5.98 7.79 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 0.00 115 L 7.85 4.56 0.00 1.97 1.83 0.95 0.70 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 0.00 116 Y 7.65 4.85 0.00 3.11 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 0.00 117 D 8.49 4.71 0.00 2.83 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 0.00 118 S 8.26 4.31 0.00 4.00 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 0.00 119 R 7.89 4.13 0.00 1.82 1.99 0.00 3.23 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 120 P 0.00 4.54 0.00 2.14 2.01 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 121 L 8.24 4.24 0.00 1.60 1.59 0.83 0.23 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 0.00 122 G 8.58 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 * Residues marked with a * may have inaccurate shift predictions.