NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 C 4.5447 8.3331 117.6336 57.4569 30.4795 173.7695 3 G 4.0855 7.5191 106.9755 43.3004 0.0000 170.4161 4 L 4.0647 8.7009 120.7947 55.9532 43.4877 175.5118 5 V 4.7624 8.4009 124.2776 60.9611 34.0299 174.1926 6 A 4.8817 9.1602 129.9067 50.2233 21.9201 175.0273 7 S 5.1973 8.0822 115.6951 57.0117 66.8784 173.3836 8 N 4.2539 8.8095 114.0701 54.5360 35.5156 174.5060 9 L 4.4036 7.5000 117.5998 53.6531 43.8420 176.3350 10 N 5.3728 7.7115 116.9393 52.7998 38.3947 173.9166 11 L 4.6234 8.8256 122.6182 54.4874 43.7951 177.9930 12 K 5.2869 10.7800 121.7437 53.8724 36.6239 173.5950 13 P 3.8426 0.0000 0.0000 64.4096 31.3947 176.5410 14 G 4.0549 9.0987 111.2520 45.3834 0.0000 173.8782 15 E 4.4968 8.3693 122.0738 55.4976 30.7348 174.0850 *17 L 4.2316 8.2626 123.1190 56.0566 43.2393 177.4545 18 R 4.7799 8.4111 124.9035 54.3469 33.1288 175.0771 19 V 4.6047 8.6390 123.0297 61.1259 34.7185 174.2629 20 R 5.2259 8.5898 126.0884 54.7472 33.5292 174.9775 21 G 3.7357 9.3729 108.7231 45.3032 0.0000 171.1922 22 E 5.0766 8.1325 119.7620 54.3767 31.4672 175.8488 23 V 4.4479 9.6723 125.7970 61.8437 33.0813 175.3808 24 A 4.0474 9.0042 129.8313 52.1107 19.0291 178.2802 25 A 3.8540 8.9022 125.5244 55.8688 18.5625 179.2575 26 D 4.7184 7.8687 111.3757 52.7138 40.0736 177.8728 27 A 4.1530 7.1082 122.2196 53.9841 18.7511 178.3084 28 K 4.6323 9.4204 121.0283 57.8461 35.1609 176.1767 29 S 5.2446 8.2528 111.5253 57.8735 65.8366 173.7408 30 F 5.5576 8.2200 117.5941 55.9284 41.6128 172.8212 31 L 5.0038 8.9691 118.8034 54.4877 44.5540 174.7905 32 L 5.2944 8.9419 119.3110 53.3473 44.9516 175.1463 33 N 5.5623 9.4759 122.3811 51.5558 41.1273 174.0397 34 L 5.0533 9.1955 123.6066 52.6055 45.3641 176.1752 35 G 4.1657 8.4451 111.1684 46.7384 0.0000 174.2748 36 K 4.0021 9.2415 122.4021 58.0604 33.0922 176.5128 37 D 3.9785 7.1418 115.4289 51.9297 41.6840 175.0264 38 D 4.0420 7.7451 117.7528 55.4208 39.2633 176.5370 39 N 4.5816 7.9980 116.1174 53.1997 39.5899 173.7612 40 N 5.2167 7.9232 115.7436 51.0527 40.9491 171.5839 41 L 5.1964 8.7516 123.1956 52.8743 43.6052 177.0584 42 C 4.3916 8.9540 119.4374 60.3003 31.1026 173.7476 43 L 4.6686 8.4503 122.3207 53.8393 45.4295 174.1795 44 H 5.5138 9.5247 127.4368 53.8947 32.0752 172.6770 45 F 4.7616 9.2590 130.3434 56.6816 41.1789 173.7559 46 N 5.3381 8.3052 125.7720 49.1118 39.8190 169.6729 47 P 4.2131 0.0000 0.0000 62.1144 32.8117 174.8870 48 R 4.5533 9.1221 125.3224 54.6572 31.7711 177.1461 49 F 3.8545 9.3816 124.2391 60.2101 39.8964 175.8512 50 N 5.1958 8.1077 118.8770 52.1385 39.6862 172.4465 51 A 4.3801 9.1618 124.6017 52.0512 22.6003 176.1623 52 H 4.0512 9.4804 115.6454 56.8681 26.3307 176.2225 53 G 3.8965 8.4497 104.9548 45.6577 0.0000 173.6008 54 D 4.9374 8.2768 119.5751 52.1415 43.3166 175.5127 55 V 4.5736 7.6872 120.2015 62.5816 34.4640 175.3250 56 N 3.1400 8.2796 125.1184 54.1676 36.6854 174.2342 57 T 4.7331 7.1008 113.1564 61.7612 73.1959 174.4126 58 I 4.3458 8.9574 126.4990 60.0026 39.0119 174.7098 59 V 4.6431 8.0739 127.4511 61.2266 33.8398 174.0400 60 C 5.2203 9.1472 125.4283 58.1257 31.4048 172.6157 61 N 5.5338 8.8081 120.6342 52.6767 43.2172 172.4231 62 S 5.4766 9.0568 114.0535 56.4360 67.1477 172.9262 63 K 4.8045 9.0051 120.9721 54.9025 35.4413 174.2064 64 D 4.8724 8.8759 126.9428 52.2823 43.8655 175.4288 65 A 3.7310 9.3382 130.6044 53.2649 16.5565 177.9790 66 G 3.7411 8.5202 108.1046 46.1708 0.0000 173.9636 67 A 4.6261 7.6791 123.2497 49.3965 21.3272 176.0032 68 W 4.9003 8.6430 122.1545 57.4245 29.8275 177.0765 69 G 4.2949 8.7166 111.4418 45.7729 0.0000 172.2341 70 A 4.5480 8.6383 123.8290 51.1869 19.2051 178.3091 71 E 4.4346 8.8897 122.4212 56.8493 30.9149 176.4393 72 Q 4.5800 9.0354 122.2443 54.7773 32.4535 173.8248 73 R 5.1910 8.7876 124.8250 54.4581 33.2312 175.1112 74 E 4.6563 9.2248 121.9508 54.6976 32.2693 177.1013 75 S 4.4411 8.7868 118.0156 59.2052 64.1482 174.5923 76 A 3.7560 8.3181 125.1402 52.7021 18.7359 178.0566 77 F 4.8278 8.0931 124.6487 56.5535 39.7812 172.6132 78 P 4.5089 0.0000 0.0000 63.0360 31.7092 177.1544 79 F 4.9974 7.5498 115.8243 56.6924 42.2883 174.7156 80 Q 4.9322 8.7760 124.6255 53.4134 31.6317 173.3816 81 P 4.1048 0.0000 0.0000 63.6426 31.9800 175.9389 82 G 3.8285 8.5548 108.1972 47.3921 0.0000 172.6789 83 S 4.8202 7.8023 112.3039 56.2709 67.6943 172.5834 84 V 4.7340 8.4156 119.2508 61.4739 32.8165 174.8597 85 V 4.7444 9.2082 121.0962 59.4945 35.7590 174.2076 86 E 5.1675 8.7855 121.8798 54.8794 32.5597 174.8776 87 V 4.9643 8.1442 125.6213 60.2082 35.5360 173.1367 *89 I 4.3423 8.2299 119.1682 61.6040 38.2726 175.3671 90 S 4.8026 8.8997 123.3671 56.7545 65.5220 172.8766 91 F 5.3015 8.7343 127.2262 56.9676 40.8026 174.5688 92 N 5.0090 9.3297 126.2368 51.5566 41.6208 175.5872 *93 Q 4.1325 8.6156 119.2522 59.2047 28.3844 175.6443 94 T 4.2990 7.8852 110.9138 62.7146 69.3206 175.1681 95 D 5.2309 7.5882 118.8735 52.6333 43.0664 173.8666 96 L 5.3810 9.1816 117.8216 53.4940 45.1073 176.0082 97 T 4.8752 8.6073 118.9049 61.7893 71.5304 173.1787 98 I 4.3087 8.1833 127.1256 59.2116 39.6132 174.3443 99 K 4.8546 8.3399 128.7277 54.6124 33.6291 175.5367 100 L 4.5744 8.7732 127.8569 53.0792 42.8316 176.0871 101 P 4.4638 0.0000 0.0000 65.4816 31.2672 177.0168 102 D 4.6172 7.8677 114.8738 52.9188 39.7917 176.7146 103 G 4.0710 9.3334 109.5820 45.6431 0.0000 173.9489 104 Y 4.3247 9.0415 122.1283 58.0631 39.6895 175.0248 105 E 5.2656 8.1349 124.5431 54.6030 33.5326 174.7077 106 F 5.0340 8.6267 116.1352 55.5300 41.9585 173.2697 107 K 5.1842 8.8707 118.1146 54.7859 35.2139 175.4753 108 F 5.0889 9.1768 124.2703 55.9412 42.9200 172.2807 109 P 4.7422 0.0000 0.0000 62.5777 31.3482 175.9666 110 N 4.7970 8.9927 121.4794 52.7821 37.8693 175.6428 111 R 4.0867 8.4824 123.7257 57.8669 30.8593 178.2435 112 L 4.1142 7.5149 117.1586 55.5416 42.0947 176.4247 113 N 4.2820 8.1184 113.6836 54.2077 35.7972 174.6384 114 L 4.2976 8.2658 119.1043 55.4857 42.7299 178.1001 *115 E 4.4615 8.7206 116.1847 56.2559 30.9296 175.1741 116 A 5.3226 7.7383 116.6512 52.0770 22.7037 175.5137 117 I 4.3812 8.8556 120.6873 59.9177 39.1762 176.1366 118 N 5.3169 9.4770 123.4299 52.0327 40.8777 173.4909 119 Y 5.1777 7.8253 120.0873 55.7808 42.8930 173.3810 120 L 5.2802 8.3342 127.2553 53.3899 45.9325 175.0942 121 S 5.1719 9.2384 119.3819 56.6834 67.0205 172.5877 122 A 5.3340 8.8475 122.1885 50.7382 22.7899 175.2348 123 G 4.2759 9.3055 106.3323 46.6470 0.0000 173.4012 124 G 4.2802 8.6784 106.7983 45.3373 0.0000 173.1829 125 D 4.8867 8.7877 116.2566 53.3082 39.2913 176.4870 126 F 5.1633 7.7970 119.2316 56.4547 43.4700 174.1586 127 K 4.2733 8.4842 127.5622 54.2713 33.7449 175.3268 128 I 3.6630 8.1518 128.9459 61.7597 37.1607 176.2500 129 K 4.2528 8.5753 124.7005 56.5594 33.7441 176.5245 *131 V 3.9368 7.6766 119.2153 62.5931 32.4080 174.2412 132 A 4.6148 8.6127 128.1269 50.0723 23.0840 174.4106 133 F 5.1713 8.6182 117.7451 55.7042 41.2940 175.8566 134 E 4.2715 8.6875 122.1942 56.7814 30.4576 175.0162 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 C 8.33 4.54 0.00 2.75 2.91 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 3 G 7.52 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 4 L 8.70 4.06 0.00 1.77 1.58 0.91 0.70 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 5 V 8.40 4.76 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 0.84 0.00 0.00 1.03 0.00 0.00 6 A 9.16 4.88 1.18 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 0.00 0.00 7 S 8.08 5.20 0.00 3.91 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 8 N 8.81 4.25 0.00 2.89 2.96 0.00 0.00 6.80 7.85 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 9 L 7.50 4.40 0.00 1.81 1.50 1.02 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.71 5.37 0.00 2.65 2.65 0.00 0.00 7.03 7.78 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 11 L 8.83 4.62 0.00 1.73 1.73 1.10 1.27 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 12 K 10.78 5.29 0.00 1.82 2.00 0.00 1.36 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.41 7.81 13 P 0.00 3.84 0.00 1.78 1.43 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.46 0.00 14 G 9.10 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 15 E 8.37 4.50 0.00 2.16 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 2.33 2.45 0.00 *17 L 8.26 4.23 0.00 1.66 1.54 0.89 0.52 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 18 R 8.41 4.78 0.00 1.70 1.73 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.82 0.00 19 V 8.64 4.60 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 1.13 0.00 0.00 0.89 0.00 0.00 20 R 8.59 5.23 0.00 1.74 1.73 0.00 3.17 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 21 G 9.37 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 0.00 0.00 0.00 22 E 8.13 5.08 0.00 1.72 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 0.00 2.18 2.13 0.00 23 V 9.67 4.45 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 1.15 0.00 0.00 1.12 0.00 0.00 24 A 9.00 4.05 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 25 A 8.90 3.85 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 26 D 7.87 4.72 0.00 2.70 2.54 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 27 A 7.11 4.15 0.72 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 0.00 0.00 28 K 9.42 4.63 0.00 1.88 1.88 0.00 1.62 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 29 S 8.25 5.24 0.00 3.90 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 30 F 8.22 5.56 0.00 3.27 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 31 L 8.97 5.00 0.00 1.72 1.70 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.94 5.29 0.00 1.74 1.62 0.91 0.65 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 33 N 9.48 5.56 0.00 2.76 2.94 0.00 0.00 6.33 6.50 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 34 L 9.20 5.05 0.00 1.52 1.46 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.45 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 36 K 9.24 4.00 0.00 1.66 1.77 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.36 7.81 37 D 7.14 3.98 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.75 4.04 0.00 2.70 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 39 N 8.00 4.58 0.00 2.78 2.80 0.00 0.00 6.58 6.20 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 40 N 7.92 5.22 0.00 2.64 2.64 0.00 0.00 6.77 6.02 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 41 L 8.75 5.20 0.00 1.58 1.72 0.98 1.23 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 42 C 8.95 4.39 0.00 3.19 3.10 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 0.00 0.00 0.00 0.00 43 L 8.45 4.67 0.00 1.79 1.51 0.59 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.52 5.51 0.00 3.59 3.61 0.00 5.84 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.26 4.76 0.00 3.02 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 46 N 8.31 5.34 0.00 2.29 2.45 0.00 0.00 7.06 8.14 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 47 P 0.00 4.21 0.00 0.59 0.81 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.76 0.00 48 R 9.12 4.55 0.00 1.56 1.77 0.00 3.06 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 49 F 9.38 3.85 0.00 3.17 3.15 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 50 N 8.11 5.20 0.00 2.66 2.70 0.00 0.00 6.71 7.96 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 51 A 9.16 4.38 1.18 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 0.00 0.00 52 H 9.48 4.05 0.00 3.29 3.35 0.00 5.75 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 53 G 8.45 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 54 D 8.28 4.94 0.00 2.69 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 4.57 1.97 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 0.77 0.00 0.00 0.87 0.00 0.00 56 N 8.28 3.14 0.00 2.34 1.88 0.00 0.00 6.82 7.51 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 57 T 7.10 4.73 4.08 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 1.15 0.00 0.00 58 I 8.96 4.35 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.84 0.71 0.00 0.00 59 V 8.07 4.64 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 0.90 0.00 0.00 0.80 0.00 0.00 60 C 9.15 5.22 0.00 2.72 1.84 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 61 N 8.81 5.53 0.00 2.70 2.83 0.00 0.00 6.49 7.18 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 62 S 9.06 5.48 0.00 4.16 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 0.00 63 K 9.01 4.80 0.00 1.00 1.29 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.04 0.99 7.81 64 D 8.88 4.87 0.00 2.72 2.49 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 65 A 9.34 3.73 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 66 G 8.52 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 0.00 0.00 0.00 67 A 7.68 4.63 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 68 W 8.64 4.90 0.00 3.20 3.02 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 69 G 8.72 4.29 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 0.00 70 A 8.64 4.55 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 71 E 8.89 4.43 0.00 1.85 1.87 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 2.20 2.25 0.00 72 Q 9.04 4.58 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 73 R 8.79 5.19 0.00 1.67 1.73 0.00 3.16 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 74 E 9.22 4.66 0.00 1.35 1.51 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 1.78 1.47 0.00 75 S 8.79 4.44 0.00 3.89 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 76 A 8.32 3.76 0.69 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 0.00 0.00 77 F 8.09 4.83 0.00 3.01 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 78 P 0.00 4.51 0.00 1.86 2.06 0.00 2.62 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.77 0.00 79 F 7.55 5.00 0.00 2.46 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 80 Q 8.78 4.93 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 81 P 0.00 4.10 0.00 2.03 1.53 0.00 3.95 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.63 0.00 82 G 8.55 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 0.00 0.00 0.00 83 S 7.80 4.82 0.00 3.93 4.18 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 84 V 8.42 4.73 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 0.83 0.00 0.00 0.91 0.00 0.00 85 V 9.21 4.74 2.38 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 0.88 0.00 0.00 1.25 0.00 0.00 86 E 8.79 5.17 0.00 1.96 1.81 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 2.18 2.28 0.00 87 V 8.14 4.96 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 0.79 0.00 0.00 1.19 0.00 0.00 *89 I 8.23 4.34 1.78 0.00 0.00 0.55 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 0.46 0.82 0.00 0.00 90 S 8.90 4.80 0.00 3.74 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 91 F 8.73 5.30 0.00 2.98 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 92 N 9.33 5.01 0.00 2.62 2.65 0.00 0.00 6.96 7.70 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 *93 Q 8.62 4.13 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 7.03 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 94 T 7.89 4.30 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 95 D 7.59 5.23 0.00 3.06 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 96 L 9.18 5.38 0.00 1.75 1.62 1.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.61 4.88 4.19 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 1.11 0.00 0.00 98 I 8.18 4.31 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.29 0.54 0.00 0.00 99 K 8.34 4.85 0.00 1.74 1.60 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.42 7.81 100 L 8.77 4.57 0.00 2.04 1.49 1.18 1.20 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 0.00 101 P 0.00 4.46 0.00 1.98 2.18 0.00 3.32 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.22 0.00 102 D 7.87 4.62 0.00 2.77 2.70 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 0.00 103 G 9.33 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.04 4.32 0.00 3.06 3.03 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 0.00 105 E 8.13 5.27 0.00 1.69 1.65 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 2.11 2.38 0.00 106 F 8.63 5.03 0.00 3.06 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 0.00 107 K 8.87 5.18 0.00 1.70 1.78 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.67 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.41 7.81 108 F 9.18 5.09 0.00 3.23 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 0.00 109 P 0.00 4.74 0.00 1.96 1.88 0.00 2.52 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 110 N 8.99 4.80 0.00 3.02 2.99 0.00 0.00 7.44 8.32 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 0.00 111 R 8.48 4.09 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.02 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 112 L 7.51 4.11 0.00 1.88 1.76 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.12 4.28 0.00 2.96 2.97 0.00 0.00 7.06 7.38 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 0.00 114 L 8.27 4.30 0.00 1.78 1.87 0.97 0.95 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 *115 E 8.72 4.46 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 2.15 1.85 0.00 116 A 7.74 5.32 1.35 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 0.00 0.00 0.00 117 I 8.86 4.38 1.64 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.11 0.88 0.00 0.00 118 N 9.48 5.32 0.00 2.70 2.84 0.00 0.00 6.23 7.13 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 0.00 119 Y 7.83 5.18 0.00 3.08 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 0.00 120 L 8.33 5.28 0.00 1.70 1.33 0.90 0.66 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 0.00 121 S 9.24 5.17 0.00 3.86 3.68 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 0.00 0.00 0.00 122 A 8.85 5.33 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 0.00 123 G 9.31 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 0.00 124 G 8.68 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 0.00 125 D 8.79 4.89 0.00 2.84 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 0.00 126 F 7.80 5.16 0.00 2.58 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 0.00 127 K 8.48 4.27 0.00 1.60 1.53 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.42 7.81 128 I 8.15 3.66 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.83 0.00 0.00 129 K 8.58 4.25 0.00 1.49 1.73 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.33 7.81 *131 V 7.68 3.94 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 0.31 0.00 0.00 0.86 0.00 0.00 132 A 8.61 4.61 1.09 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 0.00 133 F 8.62 5.17 0.00 2.90 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 0.00 134 E 8.69 4.27 0.00 1.90 1.79 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 2.23 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.