NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3435 8.4449 121.5105 55.6361 31.3797 176.2257 3 Q 4.5347 8.0179 121.6077 54.8657 32.0543 172.3730 4 Y 4.8886 8.9387 121.9702 57.3805 40.4468 174.2094 5 Y 5.5580 8.4691 120.0707 57.9813 43.3205 173.9890 6 G 4.1059 7.9451 113.8239 45.4361 0.0000 172.3406 7 T 4.1769 8.6550 123.6219 63.5476 69.5367 173.7727 8 G 4.6359 9.0483 109.1239 43.9023 0.0000 172.1618 9 R 4.8948 8.2593 120.7619 55.6693 32.7624 175.5873 10 R 4.3688 8.8693 126.5176 55.0341 31.4088 170.8717 11 K 3.5788 8.7394 124.0553 56.5468 30.4462 176.3419 12 E 3.2279 8.5422 125.8789 57.3056 29.0932 174.0357 13 A 5.0113 8.6816 121.4815 50.6220 19.1390 176.2402 14 V 4.7847 8.8177 122.0995 62.0154 33.9048 174.5964 15 A 5.0739 8.9502 128.6602 50.2599 22.4556 174.6300 16 R 4.4432 8.7765 119.7039 54.2081 33.3047 175.5822 17 V 4.1208 7.1796 122.0455 61.1223 34.3320 173.9974 18 F 5.7777 8.7024 127.6884 56.0569 40.8627 174.6367 19 L 4.9782 8.6461 123.7078 53.0239 44.4751 176.0587 20 R 4.8122 8.2223 120.2892 53.7893 34.5647 172.6298 21 P 3.7273 0.0000 0.0000 61.7965 32.0375 175.9411 22 G 3.9937 10.5077 110.8076 43.1394 0.0000 176.0566 23 N 3.6691 8.3533 114.3842 51.3061 40.0061 174.3167 24 G 4.0494 8.3710 114.5806 45.7698 0.0000 172.9424 25 K 3.8732 8.0072 120.5587 57.3829 32.9208 176.6499 26 V 4.9620 8.2926 125.3590 61.7642 33.5287 174.4611 27 T 5.1145 8.2059 122.5372 61.7679 71.4124 173.3162 28 V 4.4863 9.0881 126.5442 61.7008 34.6220 175.4266 29 N 3.9212 9.4057 126.4166 54.2048 36.6987 174.4534 30 G 4.2281 8.2222 108.2883 45.7844 0.0000 174.0707 31 Q 4.1985 7.7869 120.4700 55.1876 30.3478 173.4302 32 D 5.2269 8.1229 117.9626 52.2567 41.9507 176.9415 33 F 4.0630 8.4037 128.3221 60.8575 40.0910 175.2473 34 N 4.9917 8.2146 117.7508 50.9600 38.0468 173.3259 35 E 4.7128 7.8394 118.3875 56.4945 35.5776 175.1893 36 Y 4.6445 8.0046 117.3259 57.6151 40.8572 175.2086 37 F 5.0994 7.1445 117.3700 55.9826 39.0082 174.3168 38 Q 4.0815 8.0027 119.6889 56.1962 30.3146 177.2068 39 G 3.9413 8.7081 112.2083 46.2412 0.0000 174.6864 40 L 4.4223 6.9520 116.5715 52.9970 43.8237 177.7069 41 V 3.5891 8.1948 123.6635 64.8584 31.7848 176.9805 42 R 4.1028 7.7459 118.0517 58.1670 30.6253 177.0953 43 A 3.7275 7.9853 121.3676 55.2470 18.3723 182.1248 44 V 4.4886 7.6016 109.0736 61.5279 30.8726 176.8251 45 A 4.5374 9.7990 122.0029 54.6699 20.9687 180.2704 46 A 3.8665 7.6627 116.7764 55.3471 19.0516 178.0911 47 L 4.2621 7.5784 114.0233 55.3068 42.1600 177.5392 48 E 4.1767 8.2481 122.1958 57.0021 30.0039 175.7315 49 P 3.1236 0.0000 0.0000 63.6174 31.9367 177.9888 50 L 3.8867 7.2104 119.2849 57.9869 41.5093 179.1197 51 R 4.1327 7.8779 116.0868 59.2516 30.0033 178.5175 52 A 4.1688 7.7702 119.4880 55.1923 18.4892 177.7825 53 V 3.7798 7.9635 110.2972 61.4886 31.5480 175.7940 54 D 4.3675 7.3902 126.8100 54.3367 47.3800 175.3618 55 A 3.8662 7.7968 125.3323 53.0076 18.4574 176.7098 56 L 4.4897 8.9779 123.6320 54.0045 42.2904 177.4093 57 G 5.1603 7.9216 122.0023 47.4112 0.0000 174.3044 *58 H 4.4464 7.7179 117.7509 56.6036 28.8369 179.4066 59 F 5.3058 8.5537 116.4325 57.0348 43.3125 175.2161 60 D 4.3304 9.0481 120.7660 54.9755 42.8328 174.3548 61 A 4.0922 8.1867 122.0720 52.6209 15.7700 174.2672 62 Y 4.5130 9.1541 122.9121 58.0385 40.1508 174.3004 63 I 4.6507 8.6227 127.2502 58.3267 41.2597 174.3100 64 T 4.7416 7.7849 120.3006 60.1063 70.5544 173.0560 65 V 4.8172 8.3424 127.3803 60.7744 34.2690 173.9963 66 R 4.6243 8.9850 124.1157 54.9105 34.2601 175.4460 67 G 4.6512 8.4292 106.8801 46.9504 0.0000 175.3096 68 G 4.1647 8.4394 109.3521 44.9542 0.0000 173.6435 69 G 4.0559 8.0178 104.5977 42.7078 0.0000 174.5340 70 K 3.8015 8.4758 119.3833 59.8247 31.7519 178.8854 71 S 4.0195 8.0953 111.1566 61.7115 62.4853 175.7977 72 G 3.9759 8.1580 107.3736 48.2068 0.0000 175.1612 73 Q 4.1072 8.0397 119.9919 58.7567 28.5571 179.0606 74 I 3.8670 7.4429 115.2113 62.3908 37.0896 176.1364 75 D 4.6698 8.6784 119.9220 53.8441 43.4079 177.5121 76 A 4.1005 7.8143 120.3128 54.5589 18.0666 179.8000 77 I 3.5687 7.6984 118.4054 64.5274 37.7939 178.0128 78 K 3.5133 8.0604 119.9042 59.5985 31.8108 178.0261 79 L 3.9641 8.0384 120.4032 57.3106 42.0295 179.0615 80 G 3.8501 7.7397 105.4508 48.7941 0.0000 175.4999 81 I 3.6293 8.1710 122.0391 62.3876 36.9437 176.5588 82 A 4.4255 6.9914 119.2552 53.7823 20.3204 178.5849 83 R 3.5542 8.2892 115.6744 59.0679 30.2606 178.1376 84 A 4.6302 8.2495 122.1879 53.7879 18.7684 179.4508 85 L 4.5010 7.5749 113.2268 56.1938 40.2491 177.8119 86 V 4.3264 7.3511 121.0237 63.2530 33.1699 177.9322 87 Q 4.0314 8.7177 121.6307 58.9168 28.9472 176.4031 88 Y 4.4550 8.6561 113.5953 55.8541 39.0844 175.1904 89 N 5.1989 7.9788 131.1073 53.5003 39.4367 172.8726 90 P 4.8607 0.0000 0.0000 64.1441 32.0782 178.2401 91 D 4.3189 7.3455 115.9936 57.3879 40.7228 176.3222 92 Y 4.4050 8.0835 117.0869 57.3099 36.0485 174.6423 93 R 4.6030 8.1875 121.6010 56.0131 34.4048 174.9689 94 A 4.6879 7.8336 122.9584 49.1688 17.3924 176.7963 95 K 5.0184 7.2278 128.1013 56.7113 33.8752 176.0419 96 L 4.5659 7.4398 121.5561 56.4695 43.1907 177.5957 97 K 4.1914 7.9816 118.2339 57.8502 32.9652 176.3392 98 P 4.2820 0.0000 0.0000 64.4797 31.2926 176.5412 99 L 4.4257 7.7720 117.0118 53.4218 44.0590 175.2588 100 G 3.7793 8.0522 107.3251 46.5904 0.0000 173.0340 101 F 4.8136 11.0585 116.6928 57.1957 41.7240 176.1882 102 L 4.6272 7.7886 122.3511 53.0442 41.0647 173.9535 103 T 4.5327 7.8873 117.7670 61.4473 72.0210 173.1855 104 R 3.4674 8.0513 126.0181 57.0965 31.1524 175.6444 105 D 4.9254 8.3912 114.8076 54.3341 38.8509 176.2023 106 A 3.9132 7.8503 122.7346 54.5810 18.9524 176.7098 107 R 3.9442 7.4237 114.5298 56.3776 29.7160 176.0855 108 V 4.4508 7.7717 114.4659 58.6515 35.5812 176.0240 109 V 3.5193 8.4479 122.2195 63.3007 31.4914 175.4717 110 E 4.1120 8.6058 128.3999 55.3494 30.2658 176.0939 111 R 3.9689 8.4145 125.5843 56.5947 30.6469 174.9586 112 K 4.5324 8.3745 121.9810 54.4984 33.9344 175.8030 113 K 4.5854 8.3476 125.2276 54.5669 34.3381 175.5900 114 Y 4.3270 8.5128 118.7158 58.0530 38.6154 177.0895 115 G 3.9559 8.9535 107.6888 45.5594 0.0000 173.7802 116 K 4.5640 7.5632 117.7958 54.5411 35.7598 177.0247 117 H 4.5313 8.7659 121.3799 58.9415 29.1001 176.6033 118 K 4.5114 7.4305 118.4465 55.2032 33.1534 176.1732 119 A 4.3027 8.4402 127.6543 52.4304 17.3116 179.7192 120 R 4.2417 7.6703 111.2430 57.6548 31.7227 176.8472 121 R 3.9419 7.7601 119.2966 55.9242 29.1068 175.5701 122 A 4.5521 8.1637 128.4389 50.4711 19.4991 175.0277 123 P 4.6627 0.0000 0.0000 61.9683 32.2921 176.4660 124 Q 4.0497 8.6043 118.5550 56.4864 29.0479 176.2908 125 Y 4.5440 8.6485 124.0580 57.9090 39.6937 174.8120 126 S 4.4032 9.0325 122.4186 59.2470 66.0776 177.1439 127 K 3.5810 8.0479 119.1567 56.9292 31.4534 174.8254 128 R 4.0290 8.8920 112.2718 56.1508 29.1250 176.5172 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 E 8.44 4.34 0.00 2.04 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 0.00 2.24 2.39 0.00 3 Q 8.02 4.53 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.62 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 4 Y 8.94 4.89 0.00 2.74 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 5 Y 8.47 5.56 0.00 3.24 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 6 G 7.95 4.11 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 0.00 0.00 0.00 7 T 8.65 4.18 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 1.34 0.00 0.00 8 G 9.05 4.64 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 0.00 0.00 0.00 9 R 8.26 4.89 0.00 1.80 1.79 0.00 3.22 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 10 R 8.87 4.37 0.00 1.73 1.79 0.00 3.53 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 11 K 8.74 3.58 0.00 1.95 1.80 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.44 7.81 12 E 8.54 3.23 0.00 2.28 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 2.30 2.24 0.00 13 A 8.68 5.01 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 14 V 8.82 4.78 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 1.02 0.00 0.00 0.94 0.00 0.00 15 A 8.95 5.07 1.14 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 0.00 0.00 16 R 8.78 4.44 0.00 1.32 1.42 0.00 3.47 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 17 V 7.18 4.12 1.75 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 0.85 0.00 0.00 0.74 0.00 0.00 18 F 8.70 5.78 0.00 3.41 2.99 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 0.00 0.00 0.00 0.00 19 L 8.65 4.98 0.00 0.91 0.91 0.62 0.18 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 20 R 8.22 4.81 0.00 1.74 1.73 0.00 3.26 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 21 P 0.00 3.73 0.00 1.75 1.56 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.91 0.00 22 G 10.51 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.35 3.67 0.00 3.06 2.81 0.00 0.00 6.96 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 24 G 8.37 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 0.00 0.00 0.00 25 K 8.01 3.87 0.00 1.80 1.94 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.68 7.81 26 V 8.29 4.96 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 1.10 0.00 0.00 0.95 0.00 0.00 27 T 8.21 5.11 4.42 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 0.00 0.00 0.00 1.36 0.00 0.00 28 V 9.09 4.49 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 0.97 0.00 0.00 0.91 0.00 0.00 29 N 9.41 3.92 0.00 2.17 2.51 0.00 0.00 7.16 8.38 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 30 G 8.22 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 31 Q 7.79 4.20 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 32 D 8.12 5.23 0.00 2.79 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 33 F 8.40 4.06 0.00 3.12 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 34 N 8.21 4.99 0.00 2.82 2.71 0.00 0.00 6.77 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 35 E 7.84 4.71 0.00 1.89 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 2.36 2.14 0.00 36 Y 8.00 4.64 0.00 2.58 2.33 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 37 F 7.14 5.10 0.00 3.01 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 38 Q 8.00 4.08 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 39 G 8.71 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 0.00 0.00 0.00 40 L 6.95 4.42 0.00 1.51 1.42 0.81 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.19 3.59 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 0.91 0.00 0.00 42 R 7.75 4.10 0.00 1.74 1.83 0.00 3.24 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 43 A 7.99 3.73 0.93 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 0.00 0.00 44 V 7.60 4.49 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 0.72 0.00 0.00 0.98 0.00 0.00 45 A 9.80 4.54 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 46 A 7.66 3.87 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 47 L 7.58 4.26 0.00 1.48 1.52 0.20 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.25 4.18 0.00 2.32 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 0.00 2.36 2.43 0.00 49 P 0.00 3.12 0.00 1.82 1.57 0.00 3.53 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 50 L 7.21 3.89 0.00 1.82 1.76 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.88 4.13 0.00 1.87 2.01 0.00 3.22 0.00 0.00 3.45 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 52 A 7.77 4.17 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 53 V 7.96 3.78 1.14 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 0.32 0.00 0.00 0.70 0.00 0.00 54 D 7.39 4.37 0.00 2.62 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 55 A 7.80 3.87 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.98 4.49 0.00 1.61 1.66 0.93 1.07 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 57 G 7.92 5.16 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 0.00 *58 H 7.72 4.45 0.00 2.61 3.08 0.00 7.16 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 F 8.55 5.31 0.00 2.74 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 60 D 9.05 4.33 0.00 2.62 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 61 A 8.19 4.09 1.24 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 62 Y 9.15 4.51 0.00 3.10 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 63 I 8.62 4.65 1.67 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 0.97 1.03 0.81 0.00 0.00 64 T 7.78 4.74 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 0.92 0.00 0.00 65 V 8.34 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 0.78 0.00 0.00 1.00 0.00 0.00 66 R 8.98 4.62 0.00 1.75 1.84 0.00 3.20 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 67 G 8.43 4.65 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 0.00 68 G 8.44 4.16 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 0.00 69 G 8.02 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 0.00 0.00 0.00 70 K 8.48 3.80 0.00 1.74 1.80 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.44 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.46 7.81 71 S 8.10 4.02 0.00 3.78 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 72 G 8.16 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 73 Q 8.04 4.11 0.00 2.48 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 74 I 7.44 3.87 1.83 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.49 0.54 0.00 0.00 75 D 8.68 4.67 0.00 2.55 2.65 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 76 A 7.81 4.10 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 77 I 7.70 3.57 1.91 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.13 0.88 0.00 0.00 78 K 8.06 3.51 0.00 1.84 2.15 0.00 1.80 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 3.59 0.00 0.00 0.00 0.00 1.65 1.66 7.81 79 L 8.04 3.96 0.00 1.75 1.75 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 G 7.74 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 0.00 0.00 0.00 81 I 8.17 3.63 1.70 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.66 0.00 0.00 82 A 6.99 4.43 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 83 R 8.29 3.55 0.00 1.85 2.01 0.00 3.48 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 84 A 8.25 4.63 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 85 L 7.57 4.50 0.00 1.64 1.58 0.74 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.35 4.33 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 0.86 0.00 0.00 1.06 0.00 0.00 87 Q 8.72 4.03 0.00 2.12 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.52 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 88 Y 8.66 4.45 0.00 2.95 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 89 N 7.98 5.20 0.00 3.13 3.28 0.00 0.00 6.82 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 90 P 0.00 4.86 0.00 2.23 2.25 0.00 3.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 91 D 7.35 4.32 0.00 2.63 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 92 Y 8.08 4.41 0.00 3.20 2.93 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 93 R 8.19 4.60 0.00 2.01 1.86 0.00 3.27 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 94 A 7.83 4.69 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 95 K 7.23 5.02 0.00 1.99 2.04 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.43 7.81 96 L 7.44 4.57 0.00 1.87 1.93 1.07 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.98 4.19 0.00 1.85 1.79 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 98 P 0.00 4.28 0.00 2.12 2.14 0.00 3.87 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 99 L 7.77 4.43 0.00 1.62 1.86 0.61 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 100 G 8.05 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 11.06 4.81 0.00 3.05 2.96 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 0.00 102 L 7.79 4.63 0.00 1.65 1.62 0.95 0.91 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 0.00 103 T 7.89 4.53 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 0.00 104 R 8.05 3.47 0.00 1.75 1.86 0.00 3.26 0.00 0.00 3.16 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 105 D 8.39 4.93 0.00 2.80 2.97 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 0.00 106 A 7.85 3.91 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 0.00 107 R 7.42 3.94 0.00 1.88 1.98 0.00 3.09 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 108 V 7.77 4.45 2.08 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 0.73 0.00 0.00 0.98 0.00 0.00 109 V 8.45 3.52 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 110 E 8.61 4.11 0.00 1.97 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 2.29 2.30 0.00 111 R 8.41 3.97 0.00 1.80 1.85 0.00 3.22 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 112 K 8.37 4.53 0.00 1.74 1.67 0.00 2.04 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 113 K 8.35 4.59 0.00 1.88 1.95 0.00 1.72 0.00 0.00 1.92 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.49 7.81 114 Y 8.51 4.33 0.00 3.10 2.99 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 0.00 0.00 0.00 0.00 115 G 8.95 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 0.00 0.00 0.00 116 K 7.56 4.56 0.00 1.87 1.66 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.73 7.81 117 H 8.77 4.53 0.00 3.31 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 K 7.43 4.51 0.00 1.89 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 119 A 8.44 4.30 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.67 4.24 0.00 1.81 1.98 0.00 3.22 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 121 R 7.76 3.94 0.00 1.86 1.89 0.00 3.19 0.00 0.00 3.40 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 122 A 8.16 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 0.00 123 P 0.00 4.66 0.00 2.22 1.93 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 124 Q 8.60 4.05 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 125 Y 8.65 4.54 0.00 2.83 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 0.00 126 S 9.03 4.40 0.00 3.88 3.83 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 0.00 127 K 8.05 3.58 0.00 0.79 1.03 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.40 7.81 128 R 8.89 4.03 0.00 1.91 1.83 0.00 3.18 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.