NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.6047 8.4449 117.3762 54.3301 28.8391 171.9932 *2 S 4.3508 7.7932 119.8095 57.9797 64.4284 173.6833 3 N 4.9998 8.5333 119.9672 50.7311 41.5735 173.4579 4 P 4.0783 0.0000 0.0000 65.8053 31.3321 178.4902 5 L 4.0647 7.9750 118.4771 57.4967 41.7400 179.4566 6 G 3.6269 8.2748 105.4050 47.8738 0.0000 175.6363 7 E 4.0734 8.3656 120.9874 59.1903 29.4047 179.4619 8 L 4.0303 8.0889 119.1097 57.5617 41.6492 179.5932 9 V 3.5851 8.0272 118.4334 66.0894 31.4807 178.2657 10 K 3.9788 8.0121 117.5452 59.3581 31.9806 179.2439 11 A 3.9856 8.0882 121.0533 55.1940 18.1014 179.7273 12 L 4.0011 7.9956 116.7003 57.7541 42.0683 179.0438 13 E 4.0620 8.3215 119.3822 59.2210 29.3959 178.8242 14 K 3.9674 7.9574 118.4316 58.7416 32.2783 177.7200 15 L 4.4546 7.3475 116.2815 53.3514 42.0999 176.7773 16 S 4.2815 7.0596 113.9951 58.1909 63.6506 173.3935 17 F 4.9433 8.2732 119.3127 55.3881 41.4174 176.0112 18 K 4.3448 8.8141 124.2283 55.5505 32.9224 176.3763 19 P 4.3094 0.0000 0.0000 66.3070 31.1288 179.2316 20 S 4.2994 8.2312 113.1723 61.5809 62.7079 176.2370 21 D 4.4236 8.1562 121.8258 57.3649 40.4983 178.9686 22 V 3.5352 7.8001 118.1825 66.0538 31.5909 178.1393 23 R 3.9461 8.0046 117.7060 59.2390 29.9174 179.1310 24 I 3.7038 8.0450 119.6691 64.5422 37.1116 177.6498 25 Y 4.0345 8.2529 120.4609 61.0914 38.6184 178.5966 26 S 4.0201 8.5015 116.2030 61.2529 62.8112 176.3566 27 L 3.9012 8.0233 123.0947 58.2263 41.8029 179.1442 28 L 4.0395 7.8806 118.8012 57.6893 41.3286 179.1708 29 L 3.7246 7.4325 119.3392 57.9936 41.9747 178.4655 30 E 4.0128 7.9358 118.2497 59.0177 29.7825 178.2230 31 R 4.3547 8.1368 115.8262 55.6896 31.1187 176.6510 32 G 3.8042 8.1163 104.2798 43.9393 0.0000 172.7221 33 G 4.2027 8.0228 107.6555 45.6518 0.0000 173.4646 *35 R 4.3073 8.0583 117.1175 55.4349 32.3788 176.8422 36 V 3.6353 8.6285 120.3570 66.6401 31.3919 178.6330 37 S 4.1198 8.0442 113.1335 61.4402 62.7571 176.2194 38 E 3.9157 8.0088 121.6734 59.1513 29.3496 179.0520 39 I 3.6769 7.8738 119.6088 64.2924 37.1728 178.2569 40 A 4.0874 8.2186 121.6837 55.3778 17.7206 179.9817 41 R 3.8583 7.9945 116.5195 59.3551 29.9295 178.9190 42 E 3.9626 8.3202 118.2845 58.6751 29.7812 177.9328 43 L 4.3927 7.9213 115.7208 53.2421 43.2776 175.5106 44 D 4.3542 7.6582 116.9893 55.6990 39.8561 172.3896 45 L 4.9090 7.7363 117.3785 52.2899 45.7203 177.9838 46 S 4.3988 8.3647 115.2400 58.1027 65.1194 175.1340 47 A 4.0030 8.5855 125.5005 55.4166 18.1329 180.1571 48 R 3.8363 7.9935 116.6821 59.5865 30.2183 178.3891 49 F 4.1547 8.2834 120.4604 61.1868 39.3233 177.1963 50 V 3.4501 8.0879 117.9550 66.0755 31.3349 178.1064 51 R 3.7663 8.1818 118.0021 59.3646 29.6823 178.7525 52 D 4.2643 8.1163 118.5733 57.5472 40.7513 179.2088 53 R 3.8801 7.7328 118.4979 58.9575 29.9384 178.9798 54 L 3.8863 8.0835 119.3059 57.6256 41.5304 179.5988 55 K 3.8762 7.9256 118.3995 59.4726 32.0308 179.4905 56 V 3.5295 7.3229 116.8861 66.1215 31.4790 178.1692 57 L 4.1311 8.1964 118.8448 57.4851 41.4167 179.5973 58 L 4.3413 8.2251 120.8886 57.4477 41.4335 179.7394 59 K 3.9911 7.7856 116.8610 59.2658 32.0444 179.1032 60 R 3.8948 7.7352 116.4866 56.5280 29.9915 177.4343 61 G 3.8723 7.5587 106.7365 45.8458 0.0000 174.1774 62 F 5.1680 8.2109 119.7315 57.8065 40.7535 175.9665 63 V 5.2666 7.9468 117.7613 60.9751 35.2872 174.2622 64 R 4.9185 9.2897 122.2679 54.3673 33.0117 174.2524 65 R 5.1337 8.4704 115.6886 54.6200 32.3261 174.8268 66 E 4.8980 8.8735 117.3122 54.7724 33.3123 174.3263 67 I 3.7210 8.5440 122.4217 61.0589 39.3010 174.9367 68 V 4.3348 8.5705 128.4409 61.1597 34.3025 173.8863 69 E 4.4329 8.8367 128.2475 53.4014 30.1950 175.6560 70 K 4.5376 8.6824 129.4110 54.7437 32.7956 175.4448 71 G 4.0048 7.6131 113.0520 45.7305 0.0000 172.4756 72 W 4.2639 7.8444 127.9036 56.4869 31.8419 175.5432 73 V 4.6874 6.9562 117.2257 57.6643 34.3849 175.4285 74 G 2.9965 6.7397 109.5765 46.5559 0.0000 170.2527 75 Y 5.2561 8.4681 117.0693 56.2339 39.9505 175.6157 76 I 4.6416 8.5801 116.0407 59.3305 41.6294 173.6090 77 Y 5.1113 8.4183 118.8664 56.2375 41.3362 174.8150 78 S 5.0776 9.2254 117.8867 56.0204 66.2197 172.8255 79 A 4.5006 8.5447 128.0856 51.7823 18.5788 177.3598 80 E 4.2739 9.0282 122.6448 56.1953 30.5609 177.5870 81 K 4.3369 8.6667 121.2992 55.5504 33.2533 176.4119 82 P 4.3022 0.0000 0.0000 65.9453 31.1608 178.7282 83 E 3.9604 8.2328 115.8175 59.3603 29.3370 179.1427 84 K 3.9765 7.9983 119.9902 59.1814 32.3847 178.6864 85 V 3.7907 7.9034 118.5454 66.3156 31.3023 178.0707 86 L 4.0555 8.1986 118.7139 57.3716 41.4389 179.3371 87 K 3.9767 8.1932 119.7925 59.6255 32.1681 178.7895 88 E 4.0474 8.5365 118.8697 59.3567 29.3760 179.0552 89 F 4.1818 8.7851 120.9304 61.1690 39.4800 176.8976 90 K 3.8981 8.5083 119.4355 59.7454 32.0139 178.5860 91 S 4.0721 8.1490 113.2153 61.4656 62.2651 176.3480 92 S 4.0086 8.0942 117.8647 61.5964 62.5466 176.5565 93 I 3.5530 7.5333 121.4254 63.8168 37.6008 177.8698 94 L 4.0634 8.1016 120.2120 57.6211 41.4534 179.6836 95 G 3.5712 8.1489 105.6977 47.8341 0.0000 175.6422 96 E 3.9644 8.1118 121.0843 59.2029 29.3951 179.5497 97 I 3.7563 7.9166 119.9122 64.4021 36.9187 178.3180 98 E 4.2552 8.0893 119.9789 58.9090 29.5819 179.4026 99 R 4.0754 7.9800 118.0009 59.3554 29.9383 179.1653 100 I 3.8198 7.6611 118.4692 64.4009 36.0413 177.8169 101 E 4.2706 8.6421 119.8527 59.1046 29.3855 179.9014 102 K 4.3499 7.6723 119.4410 56.1083 30.8917 177.6608 *104 F 4.7102 8.0470 114.4168 57.0576 40.6655 175.9142 105 T 4.0094 7.3079 111.5303 61.8398 68.8810 173.4334 106 D 4.8132 8.4881 122.9641 51.8727 42.6213 178.3352 107 G 3.6411 8.3620 108.0109 46.9557 0.0000 173.5099 108 S 4.1917 8.5189 117.3010 58.3264 62.7707 173.5153 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 *0 H 8.44 4.60 0.00 2.95 2.96 0.00 7.20 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 *2 S 7.79 4.35 0.00 3.80 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 3 N 8.53 5.00 0.00 2.75 2.69 0.00 0.00 6.76 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 4 P 0.00 4.08 0.00 1.97 1.27 0.00 3.62 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 5 L 7.97 4.06 0.00 1.82 1.74 0.90 0.86 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 6 G 8.27 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.07 0.00 2.27 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 2.73 2.76 0.00 8 L 8.09 4.03 0.00 1.86 1.72 0.89 0.57 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 9 V 8.03 3.59 2.26 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 1.04 0.00 0.00 1.00 0.00 0.00 10 K 8.01 3.98 0.00 2.01 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.70 1.62 7.81 11 A 8.09 3.99 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 12 L 8.00 4.00 0.00 1.79 1.79 0.95 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.32 4.06 0.00 2.11 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 0.00 2.31 2.46 0.00 14 K 7.96 3.97 0.00 1.87 1.95 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 15 L 7.35 4.45 0.00 1.69 1.66 0.63 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.06 4.28 0.00 4.03 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 17 F 8.27 4.94 0.00 3.06 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 18 K 8.81 4.34 0.00 2.13 1.86 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.49 7.81 19 P 0.00 4.31 0.00 2.21 2.16 0.00 3.69 0.00 0.00 3.85 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 20 S 8.23 4.30 0.00 4.15 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 21 D 8.16 4.42 0.00 3.05 2.92 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 22 V 7.80 3.54 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 1.10 0.00 0.00 0.82 0.00 0.00 23 R 8.00 3.95 0.00 2.14 2.00 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 24 I 8.05 3.70 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.95 0.94 0.00 0.00 25 Y 8.25 4.03 0.00 3.11 3.01 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 0.00 0.00 0.00 0.00 26 S 8.50 4.02 0.00 3.91 3.89 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 27 L 8.02 3.90 0.00 1.81 1.90 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.88 4.04 0.00 1.70 1.63 1.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.43 3.72 0.00 1.06 1.57 0.84 1.20 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 30 E 7.94 4.01 0.00 1.98 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 0.00 2.29 2.32 0.00 31 R 8.14 4.35 0.00 1.89 1.94 0.00 3.33 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 32 G 8.12 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 0.00 0.00 0.00 33 G 8.02 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 0.00 0.00 0.00 0.00 *35 R 8.06 4.31 0.00 1.79 1.85 0.00 2.60 0.00 0.00 2.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.49 0.00 36 V 8.63 3.64 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 1.19 0.00 0.00 0.93 0.00 0.00 37 S 8.04 4.12 0.00 4.05 4.10 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 38 E 8.01 3.92 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 2.28 0.00 39 I 7.87 3.68 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.93 0.00 0.00 40 A 8.22 4.09 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.99 3.86 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 42 E 8.32 3.96 0.00 2.02 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 2.32 2.40 0.00 43 L 7.92 4.39 0.00 1.78 1.72 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.66 4.35 0.00 2.78 2.67 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 45 L 7.74 4.91 0.00 1.76 1.72 1.14 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.36 4.40 0.00 4.09 4.01 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 0.00 0.00 0.00 0.00 47 A 8.59 4.00 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.99 3.84 0.00 1.97 2.00 0.00 3.40 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.82 0.00 49 F 8.28 4.15 0.00 3.18 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 50 V 8.09 3.45 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 0.98 0.00 0.00 1.03 0.00 0.00 51 R 8.18 3.77 0.00 2.01 1.92 0.00 3.20 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 52 D 8.12 4.26 0.00 2.65 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 53 R 7.73 3.88 0.00 1.56 1.95 0.00 2.89 0.00 0.00 2.64 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.33 0.00 54 L 8.08 3.89 0.00 1.58 1.39 0.21 0.67 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 55 K 7.93 3.88 0.00 1.93 1.82 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.60 7.81 56 V 7.32 3.53 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 1.02 0.00 0.00 0.94 0.00 0.00 57 L 8.20 4.13 0.00 1.80 1.88 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.23 4.34 0.00 1.87 1.73 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.79 3.99 0.00 1.67 1.80 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.58 7.81 60 R 7.74 3.89 0.00 1.15 0.78 0.00 3.11 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 61 G 7.56 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 0.00 0.00 0.00 62 F 8.21 5.17 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 63 V 7.95 5.27 2.24 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 1.29 0.00 0.00 1.17 0.00 0.00 64 R 9.29 4.92 0.00 1.89 2.24 0.00 2.81 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 65 R 8.47 5.13 0.00 1.45 1.84 0.00 2.32 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.00 66 E 8.87 4.90 0.00 2.04 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 2.19 2.27 0.00 67 I 8.54 3.72 1.72 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.41 0.86 0.00 0.00 68 V 8.57 4.33 2.37 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 1.08 0.00 0.00 1.06 0.00 0.00 69 E 8.84 4.43 0.00 1.86 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 2.13 2.21 0.00 70 K 8.68 4.54 0.00 1.82 1.74 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 71 G 7.61 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 72 W 7.84 4.26 0.00 3.36 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 73 V 6.96 4.69 1.72 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 0.93 0.00 0.00 0.63 0.00 0.00 74 G 6.74 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 0.00 0.00 0.00 75 Y 8.47 5.26 0.00 2.86 2.53 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 0.00 76 I 8.58 4.64 1.92 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 1.41 0.92 1.08 0.00 0.00 77 Y 8.42 5.11 0.00 2.99 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 78 S 9.23 5.08 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 79 A 8.54 4.50 0.80 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 0.00 0.00 80 E 9.03 4.27 0.00 2.22 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 2.51 2.84 0.00 81 K 8.67 4.34 0.00 1.88 1.92 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.43 7.81 82 P 0.00 4.30 0.00 2.17 2.12 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 83 E 8.23 3.96 0.00 2.18 2.24 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 2.40 2.35 0.00 84 K 8.00 3.98 0.00 1.96 2.13 0.00 1.71 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.78 1.69 7.81 85 V 7.90 3.79 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 0.22 0.00 0.00 0.87 0.00 0.00 86 L 8.20 4.06 0.00 1.74 1.73 0.91 0.87 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 87 K 8.19 3.98 0.00 1.99 2.06 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.53 7.81 88 E 8.54 4.05 0.00 2.54 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 2.64 2.58 0.00 89 F 8.79 4.18 0.00 3.44 3.18 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 90 K 8.51 3.90 0.00 2.10 2.04 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 91 S 8.15 4.07 0.00 3.96 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 92 S 8.09 4.01 0.00 3.79 3.71 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 93 I 7.53 3.55 1.33 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 1.49 1.16 0.85 0.00 0.00 94 L 8.10 4.06 0.00 1.75 1.68 0.92 0.70 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 95 G 8.15 3.57 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 0.00 0.00 0.00 96 E 8.11 3.96 0.00 2.10 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 0.00 2.36 2.42 0.00 97 I 7.92 3.76 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.84 0.91 0.00 0.00 98 E 8.09 4.26 0.00 2.14 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 0.00 2.35 2.26 0.00 99 R 7.98 4.08 0.00 2.04 1.96 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 100 I 7.66 3.82 2.07 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 1.59 0.63 1.13 0.00 0.00 101 E 8.64 4.27 0.00 2.22 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 0.00 2.38 2.59 0.00 102 K 7.67 4.35 0.00 1.88 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.59 7.81 *104 F 8.05 4.71 0.00 3.12 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 0.00 105 T 7.31 4.01 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 0.00 106 D 8.49 4.81 0.00 2.81 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 0.00 107 G 8.36 3.64 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 0.00 108 S 8.52 4.19 0.00 3.78 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 * Residues marked with a * may have inaccurate shift predictions.