NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2336 8.2531 123.5830 47.8777 21.0596 176.1714 3 G 3.9181 8.0620 104.3093 43.5260 0.0000 171.0034 4 S 4.6999 7.9554 112.1058 56.6055 67.1988 171.2661 5 L 4.4577 8.0540 121.7520 53.8855 44.6495 174.7486 6 N 4.8008 8.6204 123.4815 51.5898 40.0533 172.5428 7 K 4.8047 8.3965 125.4438 54.5198 35.4678 175.0750 8 V 4.4922 8.9247 127.3559 61.0816 34.3574 174.0673 9 I 4.9680 8.3893 127.4709 59.5408 39.7137 174.7985 10 L 4.8925 8.7764 126.2783 52.8472 45.7769 175.5528 11 I 4.9591 7.9916 122.3169 59.9891 40.1176 175.0698 12 G 4.2578 8.3705 112.5955 46.9051 0.0000 171.0930 13 N 5.6988 8.1695 116.2092 51.0117 41.6476 174.7653 14 L 4.6594 8.8186 123.7075 55.2472 42.4155 177.9676 15 G 4.2759 9.6936 110.5092 46.9663 0.0000 173.0948 16 A 4.6963 7.6372 121.1857 50.6785 22.0496 175.7166 17 D 4.5704 8.4858 119.7521 53.9171 41.4101 175.2545 18 P 4.5507 0.0000 0.0000 62.9667 32.6643 175.0325 19 E 4.7207 8.8705 120.3454 54.7119 31.9100 175.1726 20 I 5.0082 8.3157 124.3203 59.6568 40.4806 175.0355 21 R 4.7112 8.9815 124.0543 54.6253 35.1498 173.7598 22 R 4.9100 8.4037 121.5480 54.7716 31.6393 176.2710 23 L 4.4311 9.1258 127.1402 53.9413 42.7296 177.6714 24 N 4.4695 8.5397 116.6425 56.0588 38.5397 177.1549 25 S 4.1577 7.9598 111.8306 59.6870 63.2549 175.1347 26 G 3.9998 8.0556 109.6666 45.3163 0.0000 173.7558 27 D 4.7133 8.0290 119.4982 54.4582 41.4942 175.0835 28 Q 5.2082 9.0526 120.9452 54.7425 30.6620 175.7529 29 V 4.7098 9.0104 120.9962 59.8853 35.2970 174.0128 30 A 5.1253 8.6677 124.2680 50.2556 22.0097 174.7346 31 N 5.3018 8.9922 119.6150 51.4861 41.2553 174.0862 32 L 5.1688 8.8759 122.5017 52.8648 46.8679 175.4385 33 R 5.1260 8.4653 119.8153 54.8629 33.2563 173.7280 34 I 5.1883 9.0653 126.7729 59.5273 40.6369 174.3000 35 A 4.5500 8.7386 128.6753 50.5072 20.7962 176.0912 36 T 4.8991 8.5756 112.1156 59.8640 72.3603 173.0819 37 S 5.1431 8.3799 115.8040 56.9579 66.7303 172.6492 38 E 4.7848 9.0661 120.9596 54.9100 32.9661 174.1970 39 S 5.4756 8.6808 122.2075 57.1024 65.6635 172.9152 40 W 4.8757 8.5374 120.9604 57.0857 31.8563 173.6200 41 R 4.9869 8.5364 118.4594 54.8793 32.4478 173.6924 42 D 4.6073 8.4154 112.3288 56.4834 44.3897 176.3165 *48 R 4.0796 7.8542 117.6600 55.8256 30.6229 179.8255 49 K 4.4484 8.9145 125.7898 53.9175 35.9387 175.8743 50 E 4.9803 8.3644 120.3870 54.6525 33.1882 174.9291 51 R 4.6608 9.0552 122.8384 54.5500 33.2535 174.0959 52 T 4.7092 8.6333 123.1816 62.5025 69.9538 173.5866 53 E 4.5322 9.0902 127.5553 54.2239 31.9194 174.2930 54 W 5.1723 8.6380 126.3317 55.3851 31.3266 174.9954 55 H 5.0176 9.4880 121.6769 54.0517 31.7927 172.5216 56 N 5.3121 8.8662 120.0945 51.9070 40.5865 173.6120 57 I 4.8918 8.8062 125.7757 59.4395 40.0605 174.9314 58 V 4.5275 8.6115 126.4732 61.0213 34.2554 174.0495 59 I 4.6760 8.7828 129.1103 59.8319 38.9509 176.1005 60 F 4.5836 9.1646 126.2327 58.0141 40.5562 175.8963 61 N 4.1747 8.1831 117.7735 53.7028 39.0669 175.0861 62 E 3.9960 8.6145 126.5346 59.3344 29.2907 178.9060 63 N 4.3907 8.1937 116.3171 56.0788 38.6212 176.9076 64 L 4.2526 7.9848 119.6784 56.8563 41.8268 179.2945 65 V 3.6347 8.0726 121.2208 66.5606 31.4298 178.8376 66 K 4.2685 7.9491 124.4321 59.1515 31.5254 181.2181 67 V 3.9987 7.5385 117.9760 65.9278 31.4808 178.2875 68 V 3.6163 7.8149 117.9272 66.0816 30.8662 177.6764 69 E 3.9214 8.3092 118.3338 59.7342 29.1566 179.3541 70 Q 3.9311 7.9339 115.8726 57.5005 28.9720 176.4970 71 Y 4.6342 7.9054 114.8613 57.6580 40.5700 175.7815 72 L 4.6413 7.9081 119.1654 53.3190 43.2502 175.6575 73 K 4.6155 8.5277 120.2346 54.6794 35.9540 175.2226 74 K 4.0255 8.3299 120.0323 58.4882 32.1988 175.9296 75 G 4.1270 9.1501 114.5247 45.3767 0.0000 174.2000 76 S 4.4260 7.9637 115.9228 59.0231 64.1225 173.5573 77 K 5.1089 9.2597 125.9532 55.4430 33.5999 175.4212 78 I 5.1914 9.0251 120.2815 59.4216 41.7855 173.1367 79 Y 5.3294 8.7758 124.2013 56.1380 41.0986 174.2681 80 I 4.5956 8.2471 125.5928 59.0748 42.2762 172.9994 81 E 4.8864 8.7737 129.7538 54.6245 32.1891 174.7512 82 G 4.2509 8.6803 113.8211 45.6258 0.0000 170.7667 83 Q 5.0794 8.7297 120.6569 54.1437 32.9663 175.8093 84 L 4.8436 8.8852 125.6546 54.7629 42.6762 176.5564 85 Q 4.6178 9.2232 122.0065 54.5004 33.0365 174.0330 86 T 5.2020 8.7913 120.5622 61.8808 70.5090 173.9691 87 R 4.8403 9.1356 123.2188 54.3426 32.7869 174.6821 88 K 4.8816 8.5825 121.3907 54.7529 34.2555 174.9807 89 W 5.2928 8.1825 122.2618 55.4803 32.3256 173.0382 90 Q 5.0372 8.7417 119.0320 54.1292 30.7312 176.1279 91 D 5.0215 8.5095 123.5073 52.2607 41.3677 176.6360 92 Q 3.9746 8.8323 117.1279 59.2290 28.5615 177.9142 93 N 4.6933 8.3976 112.1327 52.7934 38.6718 175.7686 94 G 3.9179 8.3594 106.1349 45.7409 0.0000 174.0992 95 N 4.5734 8.1834 117.6340 52.3436 39.4105 174.2474 96 D 4.6732 8.3003 121.7044 54.5627 41.6617 175.8100 97 R 4.3720 8.1755 121.0151 54.4191 34.8057 173.6121 98 Y 5.2302 8.1448 116.4429 56.7919 42.0914 175.3826 99 T 4.8521 9.1447 118.4146 62.5246 72.9914 172.8375 100 T 5.0452 8.7922 123.1909 62.3041 70.0749 174.0001 101 E 4.9624 9.1667 124.8719 54.6017 34.5391 174.7346 102 I 4.6401 8.4964 122.9018 60.2975 38.8848 174.9732 103 V 4.7332 9.3643 128.5756 61.0232 34.5055 174.3256 104 L 4.9440 8.6168 128.0948 53.0671 43.1438 176.2679 105 Q 4.7669 8.5329 123.3980 54.7503 30.5913 175.9592 106 K 3.8057 8.6605 119.4637 58.6133 32.2993 176.6649 107 Y 3.6425 7.9895 117.6320 58.6795 35.7369 169.3207 108 R 4.6299 7.9231 117.7979 54.9136 33.9317 175.6617 109 G 4.0938 9.4276 103.9503 45.8358 0.0000 172.2631 110 E 4.8592 8.5089 116.5333 54.8956 34.4794 174.8317 111 L 4.8923 8.2648 122.8095 54.2996 45.4069 174.4200 112 Q 4.7230 9.2483 125.0381 54.3096 32.3929 174.5665 113 M 4.6132 8.7814 123.7211 55.2199 32.7046 176.1602 114 L 4.6468 8.7093 121.6745 54.4630 43.3803 176.5237 115 D 4.4966 8.0091 124.1486 54.5739 40.8957 176.0632 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 A 8.25 4.23 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 3 G 8.06 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 0.00 0.00 0.00 4 S 7.96 4.70 0.00 3.93 3.80 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 5 L 8.05 4.46 0.00 1.56 1.53 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.62 4.80 0.00 2.67 2.69 0.00 0.00 6.81 6.68 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 7 K 8.40 4.80 0.00 1.75 1.62 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.50 7.81 8 V 8.92 4.49 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 0.89 0.00 0.00 0.94 0.00 0.00 9 I 8.39 4.97 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.15 0.00 0.00 10 L 8.78 4.89 0.00 1.45 1.41 0.74 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.99 4.96 1.91 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 1.46 0.74 0.95 0.00 0.00 12 G 8.37 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 0.00 0.00 0.00 13 N 8.17 5.70 0.00 2.64 2.74 0.00 0.00 6.86 6.74 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 14 L 8.82 4.66 0.00 1.81 1.84 0.99 0.79 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 15 G 9.69 4.28 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 0.00 16 A 7.64 4.70 1.15 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 17 D 8.49 4.57 0.00 2.66 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 18 P 0.00 4.55 0.00 2.05 2.05 0.00 3.72 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 1.97 2.11 0.00 19 E 8.87 4.72 0.00 2.06 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 2.18 2.21 0.00 20 I 8.32 5.01 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 1.32 0.85 0.94 0.00 0.00 21 R 8.98 4.71 0.00 1.68 1.73 0.00 3.07 0.00 0.00 3.06 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 22 R 8.40 4.91 0.00 1.80 1.82 0.00 3.23 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 23 L 9.13 4.43 0.00 1.74 1.62 1.08 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.54 4.47 0.00 2.71 2.88 0.00 0.00 6.89 7.57 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 25 S 7.96 4.16 0.00 3.97 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 26 G 8.06 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 27 D 8.03 4.71 0.00 2.77 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 28 Q 9.05 5.21 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 29 V 9.01 4.71 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 0.69 0.00 0.00 0.48 0.00 0.00 30 A 8.67 5.13 1.16 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 0.00 0.00 31 N 8.99 5.30 0.00 2.63 2.65 0.00 0.00 6.51 7.52 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 32 L 8.88 5.17 0.00 1.58 1.52 0.87 0.52 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 33 R 8.47 5.13 0.00 1.83 1.72 0.00 2.85 0.00 0.00 2.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 34 I 9.07 5.19 1.96 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 1.22 1.00 0.93 0.00 0.00 35 A 8.74 4.55 0.28 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 36 T 8.58 4.90 4.22 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 1.23 0.00 0.00 37 S 8.38 5.14 0.00 3.79 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 9.07 4.78 0.00 2.09 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 2.35 2.34 0.00 39 S 8.68 5.48 0.00 3.81 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 40 W 8.54 4.88 0.00 3.36 3.26 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 41 R 8.54 4.99 0.00 1.80 1.74 0.00 3.30 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.14 0.00 42 D 8.42 4.61 0.00 2.79 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 *48 R 7.85 4.08 0.00 1.88 1.83 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 1.45 1.23 0.00 49 K 8.91 4.45 0.00 0.79 0.74 0.00 1.39 0.00 0.00 1.51 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.02 0.93 7.81 50 E 8.36 4.98 0.00 1.71 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 2.11 1.83 0.00 51 R 9.06 4.66 0.00 2.29 2.09 0.00 3.13 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 52 T 8.63 4.71 4.12 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 0.30 0.00 0.00 53 E 9.09 4.53 0.00 1.96 1.69 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 2.18 2.08 0.00 54 W 8.64 5.17 0.00 3.21 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 55 H 9.49 5.02 0.00 3.09 3.21 0.00 5.59 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.87 5.31 0.00 2.74 2.74 0.00 0.00 7.01 7.42 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 57 I 8.81 4.89 1.84 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 1.13 0.94 0.85 0.00 0.00 58 V 8.61 4.53 1.91 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 0.32 0.00 0.00 0.86 0.00 0.00 59 I 8.78 4.68 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.44 0.88 0.00 0.00 60 F 9.16 4.58 0.00 2.96 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 61 N 8.18 4.17 0.00 3.00 2.70 0.00 0.00 7.25 7.65 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 62 E 8.61 4.00 0.00 1.98 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 2.38 2.46 0.00 63 N 8.19 4.39 0.00 2.89 2.88 0.00 0.00 7.17 6.74 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 64 L 7.98 4.25 0.00 1.82 1.69 0.91 0.57 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 65 V 8.07 3.63 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 1.08 0.00 0.00 0.92 0.00 0.00 66 K 7.95 4.27 0.00 1.84 1.80 0.00 1.86 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.18 7.81 67 V 7.54 4.00 2.28 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 1.02 0.00 0.00 1.06 0.00 0.00 68 V 7.81 3.62 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 0.97 0.00 0.00 0.99 0.00 0.00 69 E 8.31 3.92 0.00 2.21 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 0.00 2.30 2.49 0.00 70 Q 7.93 3.93 0.00 1.73 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.46 0.00 71 Y 7.91 4.63 0.00 3.13 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 72 L 7.91 4.64 0.00 1.80 1.62 0.95 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 73 K 8.53 4.62 0.00 1.90 1.88 0.00 1.35 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 74 K 8.33 4.03 0.00 1.87 1.80 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.50 1.45 7.81 75 G 9.15 4.13 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 0.00 0.00 0.00 76 S 7.96 4.43 0.00 3.88 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 77 K 9.26 5.11 0.00 1.87 1.75 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.58 7.81 78 I 9.03 5.19 1.90 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 1.13 0.72 0.94 0.00 0.00 79 Y 8.78 5.33 0.00 3.03 2.82 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 80 I 8.25 4.60 1.72 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 0.97 1.33 0.77 0.00 0.00 81 E 8.77 4.89 0.00 1.92 1.67 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 2.16 2.34 0.00 82 G 8.68 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 0.00 0.00 0.00 0.00 83 Q 8.73 5.08 0.00 2.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 84 L 8.89 4.84 0.00 1.73 1.62 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 9.22 4.62 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 86 T 8.79 5.20 4.32 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 1.39 0.00 0.00 87 R 9.14 4.84 0.00 1.96 2.11 0.00 2.82 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.73 0.00 88 K 8.58 4.88 0.00 1.71 1.67 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.02 0.69 7.81 89 W 8.18 5.29 0.00 3.43 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 90 Q 8.74 5.04 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 91 D 8.51 5.02 0.00 3.07 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 92 Q 8.83 3.97 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.32 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 93 N 8.40 4.69 0.00 2.68 2.82 0.00 0.00 6.94 7.65 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 94 G 8.36 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 0.00 0.00 0.00 95 N 8.18 4.57 0.00 2.94 2.65 0.00 0.00 7.01 7.47 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 96 D 8.30 4.67 0.00 2.45 2.27 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 97 R 8.18 4.37 0.00 0.67 0.67 0.00 2.97 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.73 0.00 98 Y 8.14 5.23 0.00 2.82 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 99 T 9.14 4.85 4.45 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 0.00 0.00 0.00 1.29 0.00 0.00 100 T 8.79 5.05 4.31 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 1.27 0.00 0.00 101 E 9.17 4.96 0.00 1.92 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 2.23 2.30 0.00 102 I 8.50 4.64 1.87 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 1.10 0.51 0.88 0.00 0.00 103 V 9.36 4.73 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 1.24 0.00 0.00 1.02 0.00 0.00 104 L 8.62 4.94 0.00 1.63 1.59 0.87 0.74 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 0.00 105 Q 8.53 4.77 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 7.02 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 106 K 8.66 3.81 0.00 1.76 1.01 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.43 7.81 107 Y 7.99 3.64 0.00 3.16 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 0.00 108 R 7.92 4.63 0.00 1.81 1.86 0.00 3.43 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 109 G 9.43 4.09 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 0.00 0.00 0.00 110 E 8.51 4.86 0.00 1.93 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 2.29 0.00 111 L 8.26 4.89 0.00 1.57 1.49 0.91 0.69 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 0.00 112 Q 9.25 4.72 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 113 M 8.78 4.61 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 114 L 8.71 4.65 0.00 1.62 1.67 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.01 4.50 0.00 2.68 2.59 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 * Residues marked with a * may have inaccurate shift predictions.