NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.1937 8.1749 117.3726 63.0984 70.1237 173.0562 10 D 4.1138 8.2281 123.2907 54.0448 37.2416 169.5192 11 N 5.0803 9.0680 119.3696 51.3938 43.2783 174.1708 12 V 4.3046 7.9342 117.7945 59.2310 30.5583 177.6344 13 K 3.8835 9.0396 129.2847 57.9843 30.8643 174.9156 14 D 4.7368 7.8582 113.9724 52.8600 41.4766 177.8033 15 I 3.3878 7.7134 121.0819 64.3865 37.0774 178.0520 16 T 3.8088 7.7252 116.1593 66.6383 68.1074 176.6882 17 K 3.9696 7.7973 118.8107 59.0526 32.4214 178.7798 18 L 3.9081 7.4356 120.3604 58.1457 41.8878 179.1887 19 V 3.6014 7.8751 118.2937 65.9538 31.2513 177.5685 20 A 4.1929 7.9115 118.7163 53.6276 18.2979 177.3319 21 N 4.7802 7.7300 114.1202 52.9725 39.4896 173.9122 22 L 4.8407 7.1933 116.3528 52.3523 44.3329 174.6847 23 P 4.4213 0.0000 0.0000 62.6277 31.7531 177.0788 24 N 4.7416 8.8776 119.2664 54.1899 37.5151 175.0002 25 D 4.8687 7.9235 117.1624 53.1567 40.1538 175.0282 26 Y 4.4416 7.8884 122.0832 58.0691 39.4028 174.5594 27 M 4.4304 8.2345 126.6744 54.3062 33.3261 175.4567 28 I 3.9937 8.9964 126.8467 59.8949 39.0317 175.3704 29 T 4.7214 8.2765 124.4847 63.2879 69.3426 174.0435 30 L 4.8689 9.2457 127.5406 53.2291 46.1730 174.9474 31 N 5.0002 8.9693 123.9495 52.0440 38.2250 173.0401 32 Y 4.1449 8.8983 125.3675 57.4077 40.0508 174.5635 33 V 4.1961 7.8223 126.7358 61.5004 32.7478 175.0708 34 A 4.0910 8.5968 131.4377 54.2532 18.6359 177.2506 35 G 3.9019 8.9723 110.5269 45.4450 0.0000 174.8071 36 M 2.5500 6.8013 119.4033 57.0370 32.0077 176.8399 37 D 4.5066 7.6445 116.0815 54.2432 40.4959 176.8870 38 V 4.2475 7.3985 110.8435 62.8758 33.9284 176.3461 39 L 4.3133 7.9256 118.1440 53.5631 42.2825 175.3350 40 P 4.5032 0.0000 0.0000 62.4744 32.1805 177.4161 41 S 2.7900 8.7279 116.0878 61.6650 62.2270 176.3945 42 H 4.7281 7.9480 116.5369 58.1186 28.2369 177.5489 43 C 4.4535 7.6677 119.0710 58.5871 40.8852 174.0708 44 W 4.8627 6.9079 113.5917 54.6223 29.9115 176.5443 45 L 3.4620 7.7290 122.0788 58.2231 41.2779 178.4194 46 R 3.7213 7.6488 117.6808 59.6877 29.8954 177.7728 47 D 4.3725 8.0143 117.6699 57.8814 40.8709 178.7203 48 M 4.0814 8.4052 119.4487 58.3621 31.9356 179.2706 49 V 3.6609 8.1114 119.5206 64.7655 31.5959 178.6419 50 I 3.7484 7.6779 120.0011 64.3473 36.9605 178.4561 51 Q 4.0960 8.3457 119.0129 58.9069 28.4683 178.7830 52 L 4.1621 8.3622 120.4998 57.6799 41.5955 179.4012 53 S 4.1732 8.1378 113.1849 61.4685 62.3830 176.2722 54 L 4.0355 8.0440 121.5681 58.0504 41.2180 179.7938 55 S 4.2010 8.4007 115.1306 61.5044 62.7841 176.7653 56 L 4.0697 8.5683 122.2567 57.9162 40.8788 179.5236 57 T 3.8563 8.1263 115.7663 67.1093 68.2376 176.6592 58 T 3.9056 7.7401 115.9476 66.4616 68.6714 176.1945 59 L 4.1823 8.4687 122.4737 58.2347 42.3025 178.4990 60 L 3.9878 8.4635 120.6407 58.4244 41.7212 177.9847 61 D 4.6768 7.7427 114.4187 55.6720 41.2219 176.9709 62 K 4.2783 8.1675 117.3029 56.3684 32.7029 175.5075 63 F 4.8791 7.6900 117.0115 55.6614 42.5068 174.2905 64 S 4.7171 8.4709 117.2401 56.9258 64.7100 174.7959 65 N 4.0539 7.8627 121.5374 52.4698 37.1896 173.9081 66 I 4.0116 7.9226 125.1331 60.6779 38.0412 176.4418 67 S 4.5354 8.5425 118.2273 58.2273 64.1785 173.5997 68 E 4.4883 8.2496 121.6034 55.4794 32.0333 174.9197 69 G 3.7711 8.7210 112.6436 43.9996 0.0000 172.1734 70 L 3.9382 8.3017 121.6705 54.9162 41.7055 177.0136 71 S 4.5837 8.3502 118.4290 55.9903 64.7570 173.8458 72 N 4.0796 8.5669 127.5697 56.2461 38.2198 176.4975 73 Y 3.8598 7.8742 120.4590 60.7318 38.9140 177.9005 74 S 4.1825 7.8603 113.5051 61.6348 62.4061 176.2769 75 I 3.6219 7.5692 122.1264 64.4298 36.8014 178.4322 76 I 3.6127 7.6722 120.7063 64.4271 36.9282 177.9616 77 D 4.1604 8.1295 119.0589 57.0633 41.0456 178.1820 78 K 3.9090 8.0405 120.0512 59.6139 32.2291 178.7041 79 L 4.1804 8.2912 119.7258 57.7748 41.4734 179.8161 80 G 3.6617 8.4430 106.1020 47.7423 0.0000 175.9161 81 K 4.2524 8.0531 122.3078 58.7010 32.0607 179.4434 82 I 3.6675 7.7442 120.0056 64.5222 37.0804 178.7299 83 V 3.5904 7.9390 118.9904 65.9156 31.1602 177.7820 84 D 4.4309 8.2262 118.9006 57.4867 40.6520 178.4882 85 D 4.4425 8.0604 119.2821 57.2028 40.6693 178.8714 86 L 3.7391 7.6672 119.6366 57.5983 41.5781 179.6474 87 V 3.5981 8.3011 118.6310 65.7662 31.3609 177.5478 88 L 3.8785 8.0632 120.1730 58.4818 41.6957 178.2017 89 C 4.0192 7.8376 117.0274 63.0833 31.9426 175.1146 90 M 4.1197 8.4714 120.1817 58.4725 31.4886 178.8271 91 E 3.9914 8.6982 118.8609 59.1652 29.5982 179.0870 92 E 4.5493 8.2600 117.9793 56.1067 30.6091 176.4731 93 N 4.7635 8.2848 113.2310 53.3968 45.7800 175.3739 94 A 4.1852 7.6128 120.8796 51.4016 19.1171 175.2539 95 P 4.4639 0.0000 0.0000 62.3980 32.1343 176.0352 96 K 4.3413 8.3526 121.4784 56.3119 32.9084 175.2102 97 N 4.1008 9.6270 118.3242 54.0570 36.0888 174.8858 98 I 3.1098 6.9269 116.6062 62.6193 37.2321 174.6414 *101 S 4.2240 7.8683 117.4326 57.3374 63.3475 171.2089 102 P 3.7519 0.0000 0.0000 65.7174 31.8932 177.0208 103 K 4.2350 7.6026 117.7024 56.2598 36.3219 175.7476 104 R 4.1772 9.2207 120.5304 55.8470 29.3606 174.8176 105 P 3.8618 0.0000 0.0000 56.7400 32.7526 175.5153 106 E 4.1686 8.8417 122.5369 56.0982 30.3603 176.0605 107 T 4.3772 8.6057 124.9615 64.1784 68.9741 174.0234 108 R 4.7671 9.3604 125.5607 54.1404 34.9517 174.4551 109 S 5.1521 8.0754 114.2088 56.6821 65.3556 173.3758 110 F 4.9576 9.5702 121.4522 55.5728 43.1848 174.7762 111 T 4.3870 8.6939 115.3139 61.3197 68.0849 173.7522 112 P 4.4686 0.0000 0.0000 65.7450 31.3489 178.6397 113 E 4.0840 8.3240 117.6147 59.4383 29.8195 178.6197 114 E 4.0243 8.2835 118.1157 59.3162 29.6489 178.8518 115 F 3.7935 9.0389 121.1446 61.3413 39.5335 176.9141 116 F 4.3536 8.6534 116.4397 59.1030 38.7255 177.8138 117 S 4.2680 7.8808 114.6054 61.3652 63.1103 176.4730 118 I 3.5554 7.4760 123.0759 63.7630 36.7278 178.0768 119 F 3.7716 7.7617 121.4876 61.4450 39.1692 176.9820 120 N 4.4740 8.3905 116.0127 56.5120 38.3456 177.7122 121 R 3.9806 8.3157 119.5432 59.1148 29.8358 179.3944 122 S 4.3769 7.6854 114.4836 61.6211 63.2017 176.3459 123 I 3.9050 7.5442 122.5532 64.2454 36.8969 177.8392 124 D 4.3349 8.4524 118.9764 57.5595 41.0548 178.1450 125 A 4.0557 8.1429 121.0238 55.2983 18.1691 179.6941 126 F 3.7721 8.1917 116.2870 60.5226 38.8691 177.5958 127 K 4.3876 7.8056 114.2034 57.9312 31.7310 177.4346 128 D 4.7436 7.7439 117.6405 54.4784 43.1573 176.4805 129 F 4.4507 8.1097 123.2877 57.0771 37.5614 175.0404 130 M 4.4741 7.0732 121.3989 54.6862 33.0860 173.7519 *137 D 4.4647 7.9851 115.8514 53.3468 40.7309 176.5588 138 C 4.6355 8.3524 116.9764 55.3802 38.7221 173.1138 139 V 4.5996 7.6560 121.1334 60.7621 33.9829 173.1406 140 L 4.6383 7.8742 120.8802 55.0360 44.8799 176.8491 141 S 4.1800 7.6031 119.4012 58.8509 62.9202 174.0871 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 9 T 8.17 4.19 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 10 D 8.23 4.11 0.00 2.89 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 11 N 9.07 5.08 0.00 2.67 2.71 0.00 0.00 7.15 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 12 V 7.93 4.30 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 0.95 0.00 0.00 13 K 9.04 3.88 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.39 7.81 14 D 7.86 4.74 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.39 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.53 0.63 0.00 0.00 16 T 7.73 3.81 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 1.19 0.00 0.00 17 K 7.80 3.97 0.00 1.65 1.79 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.45 7.81 18 L 7.44 3.91 0.00 1.57 1.39 0.38 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.88 3.60 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 1.02 0.00 0.00 0.93 0.00 0.00 20 A 7.91 4.19 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 21 N 7.73 4.78 0.00 2.82 2.88 0.00 0.00 7.02 7.37 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 22 L 7.19 4.84 0.00 1.83 1.69 1.12 1.44 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 23 P 0.00 4.42 0.00 2.27 2.00 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 24 N 8.88 4.74 0.00 2.87 2.99 0.00 0.00 5.98 8.06 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 25 D 7.92 4.87 0.00 2.81 2.81 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 26 Y 7.89 4.44 0.00 2.95 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 27 M 8.23 4.43 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 28 I 9.00 3.99 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.81 0.06 0.00 0.00 29 T 8.28 4.72 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 1.22 0.00 0.00 30 L 9.25 4.87 0.00 2.05 1.91 1.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.97 5.00 0.00 2.94 2.84 0.00 0.00 6.97 7.46 0.00 0.00 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 8.90 4.14 0.00 3.32 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 33 V 7.82 4.20 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 0.89 0.00 0.00 0.90 0.00 0.00 34 A 8.60 4.09 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 35 G 8.97 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 36 M 6.80 2.55 0.00 0.95 0.92 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 37 D 7.64 4.51 0.00 2.80 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 38 V 7.40 4.25 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 0.78 0.00 0.00 0.94 0.00 0.00 39 L 7.93 4.31 0.00 1.97 1.73 0.98 1.45 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 40 P 0.00 4.50 0.00 2.18 2.19 0.00 3.76 0.00 0.00 3.86 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 41 S 8.73 2.79 0.00 3.12 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 42 H 7.95 4.73 0.00 3.30 3.27 0.00 5.52 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 C 7.67 4.45 0.00 3.14 3.22 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 44 W 6.91 4.86 0.00 3.36 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 45 L 7.73 3.46 0.00 1.00 0.84 -0.55 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.65 3.72 0.00 1.74 1.86 0.00 3.38 0.00 0.00 3.64 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 47 D 8.01 4.37 0.00 2.93 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 48 M 8.41 4.08 0.00 2.10 2.54 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 49 V 8.11 3.66 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 0.92 0.00 0.00 1.00 0.00 0.00 50 I 7.68 3.75 2.06 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 1.54 0.95 0.93 0.00 0.00 51 Q 8.35 4.10 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.66 0.00 52 L 8.36 4.16 0.00 1.87 1.87 0.79 0.70 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 53 S 8.14 4.17 0.00 4.05 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 54 L 8.04 4.04 0.00 1.97 1.75 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.40 4.20 0.00 4.25 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 56 L 8.57 4.07 0.00 1.76 1.80 1.19 0.79 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 57 T 8.13 3.86 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 1.24 0.00 0.00 58 T 7.74 3.91 4.38 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 1.21 0.00 0.00 59 L 8.47 4.18 0.00 1.77 1.86 1.22 0.61 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 60 L 8.46 3.99 0.00 1.72 1.79 0.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.74 4.68 0.00 2.79 2.89 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 62 K 8.17 4.28 0.00 1.47 1.45 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.75 1.69 7.81 63 F 7.69 4.88 0.00 3.22 3.08 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 0.00 0.00 0.00 64 S 8.47 4.72 0.00 3.86 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 65 N 7.86 4.05 0.00 1.44 2.33 0.00 0.00 7.07 7.94 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 66 I 7.92 4.01 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.90 0.00 0.00 67 S 8.54 4.54 0.00 3.95 3.94 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 68 E 8.25 4.49 0.00 1.88 1.82 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 2.16 2.25 0.00 69 G 8.72 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 0.00 0.00 0.00 70 L 8.30 3.94 0.00 1.63 1.62 0.90 0.67 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 71 S 8.35 4.58 0.00 3.87 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 72 N 8.57 4.08 0.00 2.16 1.89 0.00 0.00 6.71 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 7.87 3.86 0.00 3.29 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 74 S 7.86 4.18 0.00 4.00 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 75 I 7.57 3.62 1.70 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.75 0.00 0.00 76 I 7.67 3.61 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.58 0.90 0.00 0.00 77 D 8.13 4.16 0.00 2.40 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.91 0.00 1.86 1.95 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 79 L 8.29 4.18 0.00 1.89 1.69 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.44 3.66 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 0.00 0.00 0.00 81 K 8.05 4.25 0.00 2.06 1.88 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.47 1.39 7.81 82 I 7.74 3.67 2.13 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 1.41 0.86 0.88 0.00 0.00 83 V 7.94 3.59 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 0.97 0.00 0.00 1.23 0.00 0.00 84 D 8.23 4.43 0.00 2.90 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 85 D 8.06 4.44 0.00 2.83 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 86 L 7.67 3.74 0.00 1.68 1.35 0.39 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.30 3.60 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 0.89 0.00 0.00 1.00 0.00 0.00 88 L 8.06 3.88 0.00 1.95 1.77 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 C 7.84 4.02 0.00 3.05 3.21 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 0.00 0.00 0.00 0.00 90 M 8.47 4.12 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.94 0.00 91 E 8.70 3.99 0.00 2.15 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 2.33 2.46 0.00 92 E 8.26 4.55 0.00 1.99 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 0.00 2.33 2.35 0.00 93 N 8.28 4.76 0.00 2.89 2.83 0.00 0.00 6.79 8.16 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 94 A 7.61 4.19 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 95 P 0.00 4.46 0.00 2.36 1.98 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 96 K 8.35 4.34 0.00 1.75 1.72 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 97 N 9.63 4.10 0.00 2.80 2.86 0.00 0.00 7.01 7.45 0.00 0.00 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 I 6.93 3.11 1.88 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 1.19 0.23 0.92 0.00 0.00 *101 S 7.87 4.22 0.00 3.86 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 0.00 102 P 0.00 3.75 0.00 2.09 1.96 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 103 K 7.60 4.23 0.00 1.67 1.66 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.44 7.81 104 R 9.22 4.18 0.00 1.81 1.93 0.00 3.40 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 105 P 0.00 3.86 0.00 2.13 2.18 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 106 E 8.84 4.17 0.00 2.15 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 2.32 2.31 0.00 107 T 8.61 4.38 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 1.25 0.00 0.00 108 R 9.36 4.77 0.00 1.51 1.14 0.00 2.77 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.74 0.00 109 S 8.08 5.15 0.00 3.68 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 0.00 110 F 9.57 4.96 0.00 3.04 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 0.00 111 T 8.69 4.39 4.53 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 1.39 0.00 0.00 112 P 0.00 4.47 0.00 2.39 2.39 0.00 3.80 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 113 E 8.32 4.08 0.00 2.10 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 2.46 2.41 0.00 114 E 8.28 4.02 0.00 2.51 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 2.50 2.47 0.00 115 F 9.04 3.79 0.00 3.12 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 0.00 116 F 8.65 4.35 0.00 3.43 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 0.00 117 S 7.88 4.27 0.00 4.08 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 0.00 118 I 7.48 3.56 1.62 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.68 0.00 0.00 119 F 7.76 3.77 0.00 2.76 3.17 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 0.00 120 N 8.39 4.47 0.00 3.09 2.94 0.00 0.00 7.11 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 0.00 121 R 8.32 3.98 0.00 1.97 2.01 0.00 3.08 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 122 S 7.69 4.38 0.00 3.86 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 0.00 123 I 7.54 3.90 1.73 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 1.21 0.18 0.90 0.00 0.00 124 D 8.45 4.33 0.00 2.89 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 0.00 125 A 8.14 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 0.00 126 F 8.19 3.77 0.00 3.41 3.08 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 0.00 0.00 0.00 127 K 7.81 4.39 0.00 1.96 1.91 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.75 7.81 128 D 7.74 4.74 0.00 2.61 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 0.00 129 F 8.11 4.45 0.00 2.85 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 0.00 130 M 7.07 4.47 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 *137 D 7.99 4.46 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.35 4.64 0.00 3.00 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 0.00 139 V 7.66 4.60 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 0.85 0.00 0.00 0.99 0.00 0.00 140 L 7.87 4.64 0.00 1.65 1.54 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.60 4.18 0.00 3.92 3.76 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 * Residues marked with a * may have inaccurate shift predictions.