NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2339 8.1133 119.0325 55.5029 31.2050 174.7406 7 V 3.5914 7.9498 116.3946 61.4614 31.9876 174.4529 8 G 4.0755 8.7928 113.4118 45.2045 0.0000 173.5774 9 E 4.2652 8.0052 118.7839 56.3363 30.7050 176.4324 10 R 5.2726 8.6799 121.9620 54.6487 32.9711 175.2009 11 F 5.1149 9.3744 123.4770 56.8283 43.1178 173.5983 12 T 4.9684 7.4370 120.6021 61.8594 71.5806 172.8447 13 H 4.7572 8.8508 119.8810 54.0173 32.4790 171.7656 14 D 5.3392 8.3372 118.5117 52.8602 43.8523 176.1661 15 F 4.5220 8.5595 124.0798 56.9925 42.6023 173.4778 16 V 3.8282 7.8134 127.5438 62.4535 32.2495 175.5441 17 V 3.4686 8.3441 129.4395 62.0589 32.3971 174.0034 18 P 4.7133 0.0000 0.0000 60.8564 32.6619 175.1120 19 P 4.2341 0.0000 0.0000 65.7193 31.2440 177.0269 20 H 4.1575 7.8775 111.6290 55.2977 28.7849 175.3431 21 K 3.6799 7.7997 118.6254 56.5016 32.5213 176.3300 22 T 5.6300 7.6360 109.0837 59.3810 70.7760 175.4900 23 V 3.3676 8.6690 121.5446 66.1350 30.8981 178.2862 24 R 4.1162 8.0083 114.7646 58.6653 29.6257 177.7374 25 H 4.5539 8.1288 115.2141 57.5350 29.3891 176.5788 26 L 3.8208 7.9668 121.0892 57.6008 42.0492 176.8842 27 Y 4.8061 7.8179 117.7664 53.7343 38.4674 173.9389 28 P 4.5882 0.0000 0.0000 64.4541 31.7289 177.9375 29 E 4.1283 8.3192 115.7493 56.8865 29.9832 175.7107 30 S 4.6890 7.8199 115.6673 56.3163 62.3004 171.8540 31 P 4.4561 0.0000 0.0000 65.4987 31.3925 178.9689 32 E 4.0328 8.0557 116.5293 58.6041 29.7633 177.5457 33 F 4.8834 7.7089 116.3653 57.9601 39.8253 177.6593 34 A 4.1661 8.0863 125.6943 54.8267 18.1967 178.4988 35 E 4.6824 8.1790 109.3516 55.3631 30.9355 181.4662 36 F 4.2451 8.1428 117.2157 57.7285 39.5737 173.4709 37 P 4.3260 0.0000 0.0000 63.4873 31.6609 177.6044 38 E 4.4622 8.5559 122.2064 55.6952 27.8140 176.0413 39 V 4.8221 7.5045 114.4757 58.5984 36.6871 174.4840 40 F 5.0007 9.4436 125.7595 59.1803 39.6277 175.0293 41 A 4.1664 8.8253 127.9776 52.0256 19.0286 178.4293 42 T 3.6362 8.6843 117.8741 66.6429 69.0849 176.1715 43 G 3.6187 7.9643 109.8454 48.6785 0.0000 174.7849 44 F 4.3111 7.2812 117.8272 57.8278 38.7016 177.8297 *46 V 3.9246 8.0556 121.3248 62.9248 33.0566 176.7739 47 G 3.7499 7.8691 108.5275 48.5437 0.0000 175.2003 48 L 4.1480 8.0838 120.2151 55.6124 41.8350 178.4171 *50 E 4.1142 8.3514 117.7710 55.6218 31.4646 177.9182 51 W 4.4061 8.2270 127.7272 60.5856 30.6063 177.7714 52 A 3.7758 7.8811 120.0926 55.3274 17.5772 179.4546 53 C 2.8919 7.5641 113.6266 62.4106 28.1919 175.9964 54 V 3.6711 7.8474 119.2592 66.0889 31.1999 178.0434 55 R 3.9679 7.8921 116.6550 58.7908 29.8156 179.1940 56 A 3.7757 7.0850 116.9552 52.4408 18.3072 178.1534 *58 A 4.3715 7.9473 125.2496 53.3904 20.3231 178.2458 59 P 4.2550 0.0000 0.0000 64.6600 31.3786 176.5775 60 Y 4.5545 7.8156 114.0703 57.4818 38.5677 175.1633 61 L 4.5276 7.4523 121.1579 53.2950 43.0527 176.7064 62 E 4.1844 9.2899 123.3951 55.2929 30.1270 174.8744 63 P 4.3871 0.0000 0.0000 64.4718 32.1360 176.7903 64 G 3.9550 8.9938 109.0056 45.8700 0.0000 172.2730 65 E 5.0667 8.0137 118.0705 54.6851 32.5013 175.6852 66 G 4.2897 9.0218 108.5705 45.5431 0.0000 171.1860 67 S 5.3116 8.3961 112.7338 56.7407 66.6563 173.3835 68 L 4.7250 8.6200 119.5146 52.6329 45.7002 176.3873 69 G 4.1780 8.8245 110.7458 46.6483 0.0000 173.2527 70 T 4.8106 8.7083 113.5022 61.3975 70.8271 173.8727 71 A 4.6745 7.6158 122.1465 51.1024 22.7139 174.9918 72 I 4.9742 8.2706 120.2936 59.7330 41.2341 174.3603 73 C 4.7191 9.3691 129.4135 57.8321 33.4585 172.6216 74 V 5.1437 8.1835 117.5067 59.4981 35.3697 175.2627 75 T 4.4952 8.5669 113.4052 61.1061 71.3564 173.5418 76 H 5.3700 8.7090 121.9274 55.1380 31.3933 172.5672 77 T 4.6397 9.0740 115.3195 61.4603 69.7032 174.3250 78 A 4.4911 7.8487 122.5769 51.3503 21.9278 175.0250 79 A 4.8602 8.3802 121.6445 50.7009 21.6998 176.9163 80 T 4.6501 8.3554 116.3965 60.9928 72.1281 172.0828 81 P 4.9384 0.0000 0.0000 61.4657 33.1226 174.2347 82 P 4.3597 0.0000 0.0000 64.4796 31.6957 176.4667 83 G 4.0020 8.9001 110.4094 45.3413 0.0000 174.1980 84 L 4.3099 7.3181 118.0648 54.6237 43.7273 176.0866 85 T 4.6058 8.1908 118.0404 62.2614 70.5580 173.8309 86 V 4.4407 8.7589 127.7759 62.1947 33.2192 174.5795 87 T 4.8199 8.7161 125.7158 61.9947 70.4631 173.6387 88 V 4.7635 8.7462 127.5188 61.5427 33.9379 174.3503 89 T 4.9757 8.8743 124.5913 61.7825 70.9321 173.0758 90 A 5.2412 9.2949 128.8292 50.1425 21.7487 174.5185 91 E 5.1321 9.5955 124.4881 54.1178 32.6699 174.7655 92 L 3.5860 8.4864 129.5869 55.2974 42.3347 177.1979 93 R 4.4760 8.7355 126.2017 57.7100 31.8388 177.2183 94 S 4.5038 7.3858 111.1039 57.0758 66.1825 173.8222 95 V 4.5342 8.2231 122.7555 61.2542 33.2287 175.5237 96 E 4.5304 9.0984 128.3047 54.2147 30.9857 175.3845 97 G 4.1086 8.2324 118.5878 45.9957 0.0000 172.4461 98 R 4.4651 8.7103 123.8449 56.3449 29.6135 175.0591 99 R 5.1465 7.5609 119.7727 55.9983 32.8516 177.3439 100 L 4.9441 8.8253 124.8814 51.8572 44.8374 175.5294 101 S 5.1034 8.8267 118.5616 56.2808 64.9624 172.5646 102 W 5.1801 9.3875 127.2109 54.8897 32.3410 174.6741 103 R 4.9141 9.2815 124.8343 55.6328 31.0653 175.4870 104 V 5.1181 8.9175 119.3767 59.8899 35.4715 174.5998 105 S 5.1412 8.8209 116.8567 57.0893 66.3205 172.5765 106 A 5.3817 9.4082 126.8970 50.7423 22.8814 174.6792 107 H 5.3710 8.9919 115.1438 53.6349 32.6330 173.3381 108 D 5.3275 8.4909 117.6051 52.4597 39.4250 178.5254 109 G 4.1174 8.7472 108.3703 46.1894 0.0000 174.6175 110 V 4.2125 7.7033 115.6562 63.7630 33.5148 175.1783 111 D 5.0047 8.5513 118.0142 51.9210 44.5033 174.8179 112 E 4.5150 8.7614 121.4761 56.6581 30.1243 176.9112 113 I 4.4905 8.5689 116.3336 60.6944 40.2715 175.3825 114 G 4.5753 7.8860 108.5029 46.6963 0.0000 172.3348 115 S 5.0902 7.2481 114.4695 56.6643 66.5490 174.6250 116 G 4.2886 8.0781 109.2287 46.7937 0.0000 172.0537 117 T 5.2710 8.5266 119.3133 62.1034 73.2450 172.6821 118 H 5.4490 9.7090 124.4798 54.6271 33.4131 171.7636 119 E 5.3498 8.9765 124.5531 54.8816 32.5370 175.2280 120 R 5.2235 9.0612 120.3697 54.5381 35.5031 173.8494 121 A 5.1525 8.9348 122.5953 49.9346 22.1030 175.7382 122 V 4.2453 8.8448 124.4252 62.8230 32.2885 175.3375 123 I 4.5982 8.8180 121.7441 59.0475 40.6758 174.7950 124 H 4.6821 8.6601 122.1299 55.7791 29.0321 175.9326 125 L 4.3561 8.6963 125.0984 56.2097 41.4335 177.2888 126 E 4.4547 7.9336 117.8983 58.4627 30.8765 177.0469 127 K 4.2084 8.1035 115.9790 57.7943 32.5395 176.9216 128 F 4.5968 7.9980 119.4538 61.1118 40.5867 177.0407 129 N 4.2873 7.9655 114.0709 55.4871 38.2692 176.9737 130 A 4.1284 7.4909 120.9137 54.2109 19.2876 178.9186 131 K 3.6554 8.0242 116.5052 60.0417 32.1131 178.3844 132 V 3.5566 7.3156 118.0152 65.7306 30.9581 178.3018 133 R 4.0077 7.8487 119.7071 59.4556 29.6338 179.1100 134 Q 3.9316 7.8495 119.1484 58.0089 28.3928 180.7279 135 K 4.6694 7.4220 115.4075 57.1408 33.5781 176.6383 136 T 4.1248 7.1602 110.4275 60.8069 69.5675 172.9274 137 P 4.3964 0.0000 0.0000 62.9888 31.3401 176.3369 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 6 R 8.11 4.23 0.00 1.75 1.88 0.00 3.22 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 7 V 7.95 3.59 2.07 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 0.69 0.00 0.00 0.86 0.00 0.00 8 G 8.79 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 0.00 0.00 0.00 0.00 9 E 8.01 4.27 0.00 2.11 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 0.00 2.46 2.36 0.00 10 R 8.68 5.27 0.00 1.77 1.95 0.00 3.18 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 11 F 9.37 5.11 0.00 3.03 2.86 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 12 T 7.44 4.97 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 1.09 0.00 0.00 13 H 8.85 4.76 0.00 2.90 2.88 0.00 5.24 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.34 5.34 0.00 2.45 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 15 F 8.56 4.52 0.00 2.84 2.72 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 16 V 7.81 3.83 1.76 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 0.58 0.00 0.00 0.76 0.00 0.00 17 V 8.34 3.47 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 0.68 0.00 0.00 0.26 0.00 0.00 18 P 0.00 4.71 0.00 1.95 1.97 0.00 3.64 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 19 P 0.00 4.23 0.00 2.06 2.18 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 20 H 7.88 4.16 0.00 3.09 3.21 0.00 5.48 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.80 3.68 0.00 1.87 1.84 0.00 0.81 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.10 1.66 7.81 22 T 7.64 5.63 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 1.35 0.00 0.00 23 V 8.67 3.37 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 -0.12 0.00 0.00 1.00 0.00 0.00 24 R 8.01 4.12 0.00 2.07 2.41 0.00 3.03 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.49 0.00 25 H 8.13 4.55 0.00 3.59 3.60 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.97 3.82 0.00 1.14 1.63 -0.29 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.82 4.81 0.00 3.32 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 28 P 0.00 4.59 0.00 2.21 2.22 0.00 3.34 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 29 E 8.32 4.13 0.00 2.20 2.29 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 2.57 2.37 0.00 30 S 7.82 4.69 0.00 3.84 4.21 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 31 P 0.00 4.46 0.00 2.21 2.09 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 32 E 8.06 4.03 0.00 1.59 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 2.34 0.00 33 F 7.71 4.88 0.00 3.11 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 34 A 8.09 4.17 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 35 E 8.18 4.68 0.00 1.98 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 2.13 1.86 0.00 36 F 8.14 4.25 0.00 3.24 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 37 P 0.00 4.33 0.00 2.09 2.03 0.00 3.49 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 38 E 8.56 4.46 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 2.38 2.32 0.00 39 V 7.50 4.82 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 0.82 0.00 0.00 1.08 0.00 0.00 40 F 9.44 5.00 0.00 3.03 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 41 A 8.83 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.68 3.64 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 1.18 0.00 0.00 43 G 7.96 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.28 4.31 0.00 2.78 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 *46 V 8.06 3.92 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 0.71 0.00 0.00 0.90 0.00 0.00 47 G 7.87 3.75 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 0.00 0.00 0.00 48 L 8.08 4.15 0.00 2.06 1.74 1.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *50 E 8.35 4.11 0.00 2.24 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 1.93 2.39 0.00 51 W 8.23 4.41 0.00 3.49 3.35 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 52 A 7.88 3.78 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 53 C 7.56 2.89 0.00 2.76 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 0.00 0.00 0.00 0.00 54 V 7.85 3.67 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 0.85 0.00 0.00 0.97 0.00 0.00 55 R 7.89 3.97 0.00 1.51 1.41 0.00 3.21 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 56 A 7.09 3.78 1.26 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 *58 A 7.95 4.37 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 59 P 0.00 4.26 0.00 1.41 1.87 0.00 3.84 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 1.89 1.99 0.00 60 Y 7.82 4.55 0.00 2.98 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 L 7.45 4.53 0.00 1.77 1.61 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.29 4.18 0.00 2.10 1.89 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 2.46 2.45 0.00 63 P 0.00 4.39 0.00 2.05 2.01 0.00 3.76 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 2.04 2.10 0.00 64 G 8.99 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 0.00 0.00 0.00 0.00 65 E 8.01 5.07 0.00 2.12 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 2.11 2.21 0.00 66 G 9.02 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 67 S 8.40 5.31 0.00 3.88 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 68 L 8.62 4.72 0.00 1.42 1.42 0.31 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.82 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 0.00 0.00 0.00 70 T 8.71 4.81 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 1.26 0.00 0.00 71 A 7.62 4.67 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 72 I 8.27 4.97 1.91 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 1.20 0.84 0.92 0.00 0.00 73 C 9.37 4.72 0.00 3.01 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 74 V 8.18 5.14 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 0.82 0.00 0.00 0.92 0.00 0.00 75 T 8.57 4.50 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 1.24 0.00 0.00 76 H 8.71 5.37 0.00 3.11 3.22 0.00 5.72 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 77 T 9.07 4.64 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 1.25 0.00 0.00 78 A 7.85 4.49 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 79 A 8.38 4.86 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 80 T 8.36 4.65 4.41 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 1.15 0.00 0.00 81 P 0.00 4.94 0.00 2.11 2.19 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.36 0.00 2.03 1.96 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 2.04 2.10 0.00 83 G 8.90 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 84 L 7.32 4.31 0.00 1.83 1.51 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.19 4.61 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 1.11 0.00 0.00 86 V 8.76 4.44 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 1.00 0.00 0.00 0.71 0.00 0.00 87 T 8.72 4.82 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 1.17 0.00 0.00 88 V 8.75 4.76 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 1.09 0.00 0.00 0.96 0.00 0.00 89 T 8.87 4.98 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 1.24 0.00 0.00 90 A 9.29 5.24 1.17 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 91 E 9.60 5.13 0.00 2.07 1.88 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 2.21 2.26 0.00 92 L 8.49 3.59 0.00 0.85 1.17 -0.09 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.74 4.48 0.00 1.75 1.90 0.00 3.39 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 94 S 7.39 4.50 0.00 3.77 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 95 V 8.22 4.53 1.96 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 0.69 0.00 0.00 0.71 0.00 0.00 96 E 9.10 4.53 0.00 1.96 1.71 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 2.17 2.25 0.00 97 G 8.23 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 98 R 8.71 4.47 0.00 1.74 1.89 0.00 3.19 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 99 R 7.56 5.15 0.00 1.29 1.79 0.00 3.19 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 100 L 8.83 4.94 0.00 1.71 1.24 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.83 5.10 0.00 3.85 3.60 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 0.00 102 W 9.39 5.18 0.00 3.40 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 0.00 103 R 9.28 4.91 0.00 1.90 1.87 0.00 3.06 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 104 V 8.92 5.12 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 0.75 0.00 0.00 0.99 0.00 0.00 105 S 8.82 5.14 0.00 3.92 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 0.00 106 A 9.41 5.38 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 0.00 107 H 8.99 5.37 0.00 3.42 3.56 0.00 5.43 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.49 5.33 0.00 2.87 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 G 8.75 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 0.00 0.00 0.00 0.00 110 V 7.70 4.21 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 0.84 0.00 0.00 0.93 0.00 0.00 111 D 8.55 5.00 0.00 2.71 2.51 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 0.00 112 E 8.76 4.51 0.00 1.99 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 2.33 2.26 0.00 113 I 8.57 4.49 2.16 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 1.28 1.36 1.07 0.00 0.00 114 G 7.89 4.58 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 0.00 0.00 0.00 115 S 7.25 5.09 0.00 3.81 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 0.00 116 G 8.08 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 0.00 117 T 8.53 5.27 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 1.32 0.00 0.00 118 H 9.71 5.45 0.00 3.18 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.98 5.35 0.00 1.92 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 2.27 2.42 0.00 120 R 9.06 5.22 0.00 1.84 1.78 0.00 3.00 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 121 A 8.93 5.15 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 0.00 122 V 8.84 4.25 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 0.78 0.00 0.00 0.93 0.00 0.00 123 I 8.82 4.60 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.83 0.76 0.00 0.00 124 H 8.66 4.68 0.00 3.32 3.31 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.70 4.36 0.00 1.79 1.69 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.93 4.45 0.00 2.09 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 0.00 2.22 2.33 0.00 127 K 8.10 4.21 0.00 1.83 1.90 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.53 7.81 128 F 8.00 4.60 0.00 3.21 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 0.00 129 N 7.97 4.29 0.00 2.85 2.86 0.00 0.00 6.92 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 0.00 130 A 7.49 4.13 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 0.00 131 K 8.02 3.66 0.00 1.82 1.77 0.00 1.98 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.48 7.81 132 V 7.32 3.56 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 0.87 0.00 0.00 0.15 0.00 0.00 133 R 7.85 4.01 0.00 2.04 1.93 0.00 3.14 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 134 Q 7.85 3.93 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 135 K 7.42 4.67 0.00 1.75 1.87 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.28 7.81 136 T 7.16 4.12 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 1.21 0.00 0.00 137 P 0.00 4.40 0.00 2.05 2.00 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.