NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.6366 8.3549 109.7430 45.9147 0.0000 174.3009 3 I 3.1440 7.7780 120.0339 61.7468 33.4571 169.2860 4 V 4.2804 8.9691 119.4809 61.2688 33.7280 176.2121 5 G 4.3938 7.6278 105.8455 45.3044 0.0000 172.8937 6 V 5.0817 8.2664 121.5429 59.7917 35.2117 174.3134 7 G 4.2952 9.0024 109.5904 44.6867 0.0000 171.1344 8 I 5.2688 8.2073 121.3078 59.4254 41.6255 173.5593 9 D 4.8400 8.8212 125.9641 53.0705 44.9861 173.7351 10 L 5.2709 8.5649 123.4273 53.0708 45.1191 175.8335 11 V 4.5911 8.6459 120.6224 61.3115 35.9617 174.3340 12 S 4.7586 8.6113 119.9575 57.1123 62.9068 174.5561 13 I 3.7635 8.5523 130.2152 64.0575 36.6098 176.6805 14 P 4.2089 0.0000 0.0000 65.7763 31.4250 177.8930 15 D 4.5107 8.1089 117.4034 57.6010 40.6037 179.0129 16 F 4.0357 8.6071 121.0996 61.0470 39.2209 177.0209 17 A 3.7020 8.0515 120.3179 53.9447 18.0564 178.3731 18 E 4.2743 7.3935 114.2255 56.9710 30.2771 176.8321 19 Q 4.4635 7.4134 116.5859 55.4576 30.0845 177.5202 20 V 2.2205 7.0421 118.4502 63.7793 31.5492 176.0954 21 D 4.7024 7.5338 118.0903 53.7616 41.2313 175.0446 22 Q 4.3641 7.5649 119.0159 53.8552 30.0244 173.4480 23 P 4.6733 0.0000 0.0000 63.0670 32.2996 176.5674 24 G 3.9870 8.9067 109.4529 45.5064 0.0000 174.0530 25 T 4.2813 7.1275 110.0979 60.5220 69.8796 176.1926 26 V 3.7309 7.9907 115.1633 63.5525 31.8546 178.2905 27 F 4.5392 7.8298 118.9385 60.1718 38.6288 177.0120 28 A 4.2709 7.7645 118.4454 54.0397 18.3589 178.3899 29 E 4.3448 8.0453 114.9032 57.0660 30.0637 176.4794 30 T 4.3963 8.2411 112.3096 61.2486 69.5091 173.5265 31 F 5.2833 7.7615 117.7237 55.2955 42.4568 175.4581 32 T 4.2190 9.9038 121.2370 62.8404 69.9903 174.2495 33 P 4.3598 0.0000 0.0000 66.6077 31.6461 178.1395 34 G 3.6632 8.4513 102.3444 48.5607 0.0000 174.7783 35 E 3.9282 8.1578 118.5053 58.9828 29.7362 179.8471 36 R 3.7414 7.9158 116.3738 59.1602 30.1743 178.6462 37 R 4.2353 7.9094 119.6151 58.3488 29.8014 178.1635 38 D 4.3078 7.9812 118.1597 56.9335 40.6838 177.4547 39 A 4.4600 7.6438 118.1613 52.7555 18.4847 179.0129 40 S 4.6138 7.4842 116.8804 59.5428 62.9726 173.4099 41 D 4.6352 7.9615 120.8461 54.6187 40.5968 177.9326 42 K 4.6063 7.8285 127.4978 59.1214 32.5707 177.1542 43 S 4.7266 7.7680 112.9398 57.2539 63.5823 174.0156 44 S 4.4996 7.6646 123.8706 58.8108 63.9567 175.6834 45 S 4.1228 8.6132 119.9232 60.4505 61.7904 172.0776 46 A 3.8977 7.6998 120.6418 54.9659 18.0155 179.1571 47 A 4.0175 7.5852 117.8755 55.5815 18.5740 180.1702 48 R 3.8568 7.8497 115.9827 59.5202 30.1605 178.8763 49 H 4.0829 8.2188 116.1691 58.7094 28.7048 177.8575 50 L 3.9322 8.0347 120.5288 57.4265 41.4935 178.8805 51 A 2.6175 7.7346 120.8321 55.0185 17.9600 179.5991 52 A 3.9632 7.6657 118.3601 55.2328 18.6275 180.0786 53 R 3.9530 7.9313 116.3174 58.9194 30.0584 179.1227 54 W 4.4805 9.0868 128.4856 60.5502 30.7321 177.8332 55 A 4.0899 8.3150 120.6053 55.0781 17.7576 179.0420 56 A 3.9156 8.1874 119.6348 55.5199 18.3682 179.9030 57 K 3.7262 7.9375 117.5912 59.6672 32.3180 178.7691 58 E 3.6725 8.0818 119.0313 59.1984 29.1865 179.2802 59 A 4.0111 7.8355 120.5620 54.8920 18.9297 179.5504 60 V 3.5167 8.0403 117.1364 66.3333 31.3662 178.4855 61 I 3.7880 7.7149 119.3786 64.4252 36.8100 178.5926 62 K 4.1286 7.8372 117.6470 59.3552 31.9986 179.0601 63 A 4.3588 8.3413 122.9073 54.0316 18.2574 179.6175 64 W 4.3049 8.1540 126.8520 60.6083 30.7373 178.1389 65 S 3.8933 8.5737 110.0958 58.6721 62.2647 174.1827 66 G 4.1102 7.6780 111.2933 45.4751 0.0000 172.5735 67 S 4.7334 7.4674 113.2254 55.4008 66.6950 173.9500 68 R 3.8566 8.2615 116.0860 59.0791 28.9466 177.5753 69 F 4.8460 7.1521 111.7833 56.9542 38.4409 175.8728 70 A 2.8503 7.8613 123.3082 53.7825 18.3824 177.3208 71 Q 3.7799 7.7516 115.2435 55.9910 27.0594 178.8009 72 R 3.0592 8.0733 117.0529 57.5485 31.8056 176.7786 73 P 4.1502 0.0000 0.0000 69.2951 30.1224 176.2884 74 V 3.2874 6.2497 111.5887 60.6925 33.8920 179.1686 75 L 5.0198 8.8061 126.4142 54.6697 40.1104 175.3904 76 P 4.3979 0.0000 0.0000 63.8948 32.0055 177.2655 77 E 3.9120 7.7619 115.7334 57.2645 28.0465 175.6882 78 D 4.4381 7.7775 118.8764 57.1693 41.3132 178.2922 79 I 3.5750 7.8547 112.2446 64.2712 37.2479 177.3446 80 H 3.8846 8.0337 116.4180 57.2998 28.7020 175.7327 81 R 4.5532 7.1486 112.5993 55.5230 30.6263 176.0620 82 D 4.4893 8.4517 118.4928 55.1634 41.1469 175.5047 83 I 4.7433 7.2954 119.5998 59.2363 40.2102 174.6376 84 E 4.5665 8.7817 126.1570 54.5870 33.4754 173.7851 85 V 4.7389 8.4405 126.4555 61.5924 32.8438 175.0547 86 V 4.4940 8.8857 121.6079 60.0486 35.0640 175.6231 87 T 4.7056 8.4742 120.4393 61.8534 67.7517 173.9399 88 D 4.1421 9.3057 127.5113 54.2426 42.4716 176.0209 89 M 3.5794 8.9183 117.5000 59.2724 32.9149 177.1981 90 W 4.0228 8.1423 130.9233 60.1465 31.2123 176.5965 91 G 3.9979 7.7894 105.2903 44.9644 0.0000 173.5391 92 R 4.4348 8.1309 121.2823 54.9284 31.6521 173.5478 93 P 5.0402 0.0000 0.0000 62.8341 32.3366 175.5305 94 R 4.7968 9.4877 122.3717 54.3263 34.7092 174.1108 95 V 4.7685 8.3014 120.0343 61.3776 33.9183 174.9147 96 R 4.6424 9.1160 126.3120 54.3632 32.7670 174.5581 97 L 5.1618 8.5413 123.9652 53.1043 44.1859 175.7459 98 T 4.3965 8.9986 113.8436 60.0230 72.4703 174.4995 99 G 3.5594 8.5522 108.0485 46.1859 0.0000 174.8575 100 A 3.6401 8.2780 120.8019 55.6766 18.2564 179.8883 101 I 3.3795 7.5080 116.7175 64.1421 36.8834 178.4889 102 A 3.8654 7.3664 120.5266 54.9167 17.9022 179.4612 103 E 3.8567 7.3845 116.2964 59.8074 29.6650 178.6205 104 Y 4.6555 6.9935 115.2834 60.8638 38.8485 178.5114 105 L 4.1873 8.1860 119.8872 53.8324 41.7252 178.5774 106 A 4.1533 7.9309 122.4231 54.6128 18.6768 179.4177 107 D 5.0016 7.9205 112.3847 54.0985 42.0458 175.5831 108 V 4.5746 7.6323 109.3375 59.8673 33.8977 175.4266 109 T 4.5759 8.6885 119.5589 61.9753 70.8600 173.5606 110 I 4.8591 8.2381 126.3093 59.7909 39.6726 174.5331 111 H 5.0271 9.3111 124.2288 54.1000 31.4566 173.5193 112 V 5.5931 8.3958 115.0322 58.8514 35.6660 174.7545 113 S 4.8493 8.3498 115.3992 56.9348 65.9092 172.5038 114 L 5.3685 8.3618 124.2969 54.8055 43.9933 174.6628 115 T 4.6809 8.4657 113.8065 62.0952 71.7361 171.9178 116 H 4.8545 8.2451 114.0838 54.8287 30.8750 173.2151 117 E 4.4925 9.0102 125.6755 55.9785 33.2899 173.5955 118 G 4.1149 8.6841 114.6030 46.6394 0.0000 173.3358 119 D 4.8216 8.6749 124.9627 54.3189 41.0423 175.1999 120 T 5.1680 8.0150 109.7230 60.1467 72.2491 173.0153 121 A 5.2228 8.6088 126.3604 50.8286 22.3201 175.0724 122 A 5.2286 8.9881 118.2836 52.6618 23.5248 175.2344 123 A 5.1234 8.2257 119.5785 51.4877 23.2332 175.7072 124 V 4.9818 8.7504 117.9350 60.5330 35.0975 173.7527 125 A 5.8929 8.9802 125.1131 49.5411 23.0261 174.7782 126 I 5.0299 8.0489 118.1983 59.8505 41.9802 174.2008 127 L 5.0834 9.3068 127.0592 53.3288 43.6721 175.1439 128 E 5.1190 8.9200 123.7185 54.1458 31.9597 175.5955 129 A 4.2998 8.8396 128.9511 52.0653 19.4494 176.2577 *130 P 4.1810 0.0000 0.0000 62.3375 31.5959 175.2148 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 G 8.35 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 3 I 7.78 3.14 1.89 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 1.41 0.42 0.97 0.00 0.00 4 V 8.97 4.28 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 0.72 0.00 0.00 1.30 0.00 0.00 5 G 7.63 4.39 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 0.00 6 V 8.27 5.08 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 0.82 0.00 0.00 0.98 0.00 0.00 7 G 9.00 4.30 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 0.00 8 I 8.21 5.27 1.88 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 1.23 0.95 0.92 0.00 0.00 9 D 8.82 4.84 0.00 2.75 2.42 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 0.00 10 L 8.56 5.27 0.00 1.54 1.56 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.65 4.59 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 1.01 0.00 0.00 1.19 0.00 0.00 12 S 8.61 4.76 0.00 4.00 3.82 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 13 I 8.55 3.76 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 1.52 0.69 0.94 0.00 0.00 14 P 0.00 4.21 0.00 2.04 2.11 0.00 3.69 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 2.17 2.19 0.00 15 D 8.11 4.51 0.00 2.80 2.78 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 16 F 8.61 4.04 0.00 2.99 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 17 A 8.05 3.70 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 18 E 7.39 4.27 0.00 2.05 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 2.41 2.26 0.00 19 Q 7.41 4.46 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.09 0.00 20 V 7.04 2.22 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 0.30 0.00 0.00 0.22 0.00 0.00 21 D 7.53 4.70 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 22 Q 7.56 4.36 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 23 P 0.00 4.67 0.00 2.08 1.96 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 24 G 8.91 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 25 T 7.13 4.28 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 1.31 0.00 0.00 26 V 7.99 3.73 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 0.57 0.00 0.00 0.64 0.00 0.00 27 F 7.83 4.54 0.00 3.02 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 28 A 7.76 4.27 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 29 E 8.05 4.34 0.00 1.97 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 2.29 2.30 0.00 30 T 8.24 4.40 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 1.45 0.00 0.00 31 F 7.76 5.28 0.00 3.20 3.12 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 32 T 9.90 4.22 4.49 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 1.27 0.00 0.00 33 P 0.00 4.36 0.00 2.03 2.15 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 34 G 8.45 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.93 0.00 2.19 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 2.43 2.47 0.00 36 R 7.92 3.74 0.00 1.74 2.05 0.00 3.45 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 37 R 7.91 4.24 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 38 D 7.98 4.31 0.00 2.85 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 39 A 7.64 4.46 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 40 S 7.48 4.61 0.00 3.87 3.82 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 41 D 7.96 4.64 0.00 2.76 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 42 K 7.83 4.61 0.00 1.79 1.81 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 43 S 7.77 4.73 0.00 3.96 3.82 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 44 S 7.66 4.50 0.00 3.89 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 45 S 8.61 4.12 0.00 4.00 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 46 A 7.70 3.90 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 47 A 7.59 4.02 1.45 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 0.00 0.00 0.00 48 R 7.85 3.86 0.00 1.98 1.85 0.00 3.19 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 49 H 8.22 4.08 0.00 3.20 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.03 3.93 0.00 1.60 1.30 0.16 0.54 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 51 A 7.73 2.62 1.01 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 0.00 0.00 52 A 7.67 3.96 1.45 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 0.00 0.00 0.00 53 R 7.93 3.95 0.00 2.30 2.26 0.00 3.26 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 54 W 9.09 4.48 0.00 3.59 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 55 A 8.32 4.09 1.41 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 0.00 0.00 0.00 56 A 8.19 3.92 1.41 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 0.00 0.00 0.00 57 K 7.94 3.73 0.00 1.80 1.56 0.00 1.50 0.00 0.00 1.35 0.00 0.00 2.65 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.96 1.23 7.81 58 E 8.08 3.67 0.00 2.05 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 1.67 2.27 0.00 59 A 7.84 4.01 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 60 V 8.04 3.52 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 0.97 0.00 0.00 0.94 0.00 0.00 61 I 7.71 3.79 1.94 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 1.52 0.41 0.96 0.00 0.00 62 K 7.84 4.13 0.00 1.78 1.89 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.50 1.68 7.81 63 A 8.34 4.36 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 64 W 8.15 4.30 0.00 3.37 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 3.89 0.00 3.89 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 66 G 7.68 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 67 S 7.47 4.73 0.00 4.05 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 68 R 8.26 3.86 0.00 1.76 1.96 0.00 2.65 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.59 0.00 69 F 7.15 4.85 0.00 3.16 3.38 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 70 A 7.86 2.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.75 3.78 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.70 0.00 0.00 0.00 0.00 0.00 2.22 1.88 0.00 72 R 8.07 3.06 0.00 1.84 1.79 0.00 3.39 0.00 0.00 3.33 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 73 P 0.00 4.15 0.00 2.47 2.63 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 74 V 6.25 3.29 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 0.74 0.00 0.00 0.99 0.00 0.00 75 L 8.81 5.02 0.00 1.89 1.93 0.97 0.68 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 76 P 0.00 4.40 0.00 2.29 2.17 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 77 E 7.76 3.91 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 2.09 2.25 0.00 78 D 7.78 4.44 0.00 2.75 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 79 I 7.85 3.58 1.62 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 1.41 0.66 0.45 0.00 0.00 80 H 8.03 3.88 0.00 3.26 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.15 4.55 0.00 1.79 1.96 0.00 3.04 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 82 D 8.45 4.49 0.00 2.61 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 83 I 7.30 4.74 1.79 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 1.23 0.63 0.77 0.00 0.00 84 E 8.78 4.57 0.00 1.96 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 2.18 2.21 0.00 85 V 8.44 4.74 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 0.95 0.00 0.00 0.89 0.00 0.00 86 V 8.89 4.49 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 0.78 0.00 0.00 1.01 0.00 0.00 87 T 8.47 4.71 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 1.31 0.00 0.00 88 D 9.31 4.14 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.92 3.58 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 90 W 8.14 4.02 0.00 3.21 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 91 G 7.79 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 92 R 8.13 4.43 0.00 1.98 1.89 0.00 3.19 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 93 P 0.00 5.04 0.00 2.14 2.07 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 94 R 9.49 4.80 0.00 1.71 1.81 0.00 3.09 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 95 V 8.30 4.77 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 0.79 0.00 0.00 0.90 0.00 0.00 96 R 9.12 4.64 0.00 1.67 1.75 0.00 3.13 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 97 L 8.54 5.16 0.00 1.38 1.45 0.80 0.74 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 98 T 9.00 4.40 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 1.16 0.00 0.00 99 G 8.55 3.56 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 0.00 0.00 0.00 100 A 8.28 3.64 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 0.00 101 I 7.51 3.38 1.57 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 1.57 0.69 0.49 0.00 0.00 102 A 7.37 3.87 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 0.00 103 E 7.38 3.86 0.00 1.76 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 2.19 2.39 0.00 104 Y 6.99 4.66 0.00 3.03 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 0.00 105 L 8.19 4.19 0.00 1.50 1.45 0.76 0.13 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 0.00 106 A 7.93 4.15 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 0.00 107 D 7.92 5.00 0.00 2.69 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 0.00 108 V 7.63 4.57 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 0.76 0.00 0.00 0.89 0.00 0.00 109 T 8.69 4.58 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 1.05 0.00 0.00 110 I 8.24 4.86 1.82 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 1.34 0.60 0.89 0.00 0.00 111 H 9.31 5.03 0.00 3.05 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.40 5.59 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 0.73 0.00 0.00 0.94 0.00 0.00 113 S 8.35 4.85 0.00 3.85 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 0.00 114 L 8.36 5.37 0.00 1.63 1.59 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.47 4.68 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 1.27 0.00 0.00 116 H 8.25 4.85 0.00 3.20 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.01 4.49 0.00 1.94 1.78 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 2.21 2.40 0.00 118 G 8.68 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 0.00 119 D 8.67 4.82 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 0.00 120 T 8.02 5.17 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 1.23 0.00 0.00 121 A 8.61 5.22 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 0.00 122 A 8.99 5.23 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 A 8.23 5.12 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 0.00 124 V 8.75 4.98 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 0.69 0.00 0.00 1.00 0.00 0.00 125 A 8.98 5.89 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 0.00 126 I 8.05 5.03 1.93 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 1.34 0.77 0.96 0.00 0.00 127 L 9.31 5.08 0.00 1.90 1.70 0.97 1.01 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 0.00 128 E 8.92 5.12 0.00 1.94 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 2.29 2.32 0.00 129 A 8.84 4.30 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 *130 P 0.00 4.18 0.00 1.87 1.90 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.