NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.6755 8.4549 118.1664 56.9172 41.2117 173.5167 5 D 4.4406 7.9084 119.6327 53.3875 41.5101 175.4399 6 T 3.9442 9.2540 120.6492 61.9462 69.2126 173.8933 7 V 4.0947 7.9663 121.0320 60.6108 32.9365 175.8695 8 S 4.4005 9.0810 116.6894 57.9810 63.9940 175.4676 9 A 3.9070 8.7203 122.0961 55.0329 17.9337 179.7691 10 W 4.2564 8.1670 126.3015 60.9103 30.9184 178.1057 11 Q 3.6467 8.2091 117.9246 58.6378 27.7985 178.9018 12 S 3.8190 7.9010 113.7677 61.1033 62.5617 175.3565 13 L 3.9313 7.5565 121.8808 58.4489 42.0767 178.7900 14 R 3.1313 7.5151 118.6585 58.4159 30.0387 176.8238 15 G 4.2213 7.9803 107.6261 45.8303 0.0000 172.4888 16 P 4.1858 0.0000 0.0000 63.5933 31.5006 177.3406 17 G 3.7476 8.7567 107.3513 45.2265 0.0000 173.0704 18 T 4.7021 7.0013 107.7103 60.7177 72.4119 175.2822 19 G 3.7561 9.3757 109.5124 45.8731 0.0000 171.2335 20 G 4.1855 7.6355 105.6404 45.9408 0.0000 171.4214 21 Y 5.2435 9.1423 116.8829 56.4172 41.3951 174.8047 22 Y 5.3055 9.1693 121.3725 56.2099 40.3965 174.8364 23 L 3.0889 8.7953 126.1736 55.2352 42.6628 176.6414 24 F 4.6200 9.2293 129.7753 60.0849 40.4848 175.3102 25 K 4.9054 7.2690 116.6490 54.8993 36.3752 174.7146 26 T 5.3580 8.6665 116.4309 61.0615 70.9047 174.4268 27 T 4.3589 8.7351 115.8595 63.3484 69.5482 174.2898 28 E 4.2289 8.3371 124.8715 55.3611 30.2450 176.3593 29 G 3.4971 8.4389 114.9359 45.9437 0.0000 173.9437 30 G 3.9773 8.6118 106.6253 45.7015 0.0000 174.1756 31 K 4.1689 7.2435 119.1055 56.0021 32.7723 177.2808 32 T 4.1096 8.3431 119.7692 63.0930 69.1664 174.0589 33 D 4.6592 8.5635 125.3260 56.3849 41.4339 177.1402 34 C 4.2716 9.0474 117.5990 58.0609 37.8387 173.0188 35 T 4.5702 7.3997 115.7375 64.9664 69.1767 172.7796 36 Y 5.6837 9.0557 123.0272 56.0220 42.2725 174.1009 37 V 4.6887 9.2168 112.4684 59.5896 36.5202 174.8647 38 K 4.6881 8.7867 124.4785 54.9440 35.2809 175.5747 39 G 4.5254 8.8996 115.0378 46.0255 0.0000 172.2722 40 S 4.0528 8.5427 115.8919 56.2077 67.1897 172.9262 41 N 4.1338 8.2735 115.1469 54.5610 36.8515 173.8483 42 F 4.7700 7.9576 115.6445 57.4194 40.2508 175.2547 43 N 4.9294 9.5308 125.0201 51.7158 39.2022 174.6214 44 D 4.2341 8.8156 126.5289 57.1372 41.4689 178.3523 45 A 3.9278 8.0826 120.8031 55.0887 18.4635 178.4347 46 A 3.9138 8.0086 116.6631 52.7169 18.9753 177.1918 47 Q 2.0000 7.1324 114.9255 56.8523 26.6857 172.8133 48 T 5.0415 6.7990 106.1245 60.2534 73.2212 173.8571 49 A 5.2499 8.8120 123.0339 51.3253 23.6752 175.1132 50 T 4.7221 8.7194 116.5377 63.1578 70.1925 173.8342 51 Y 5.3248 9.3139 124.4218 56.7475 40.6261 174.6717 52 T 5.1762 8.8904 121.3065 62.0618 70.9714 173.2735 53 Y 4.5036 8.9747 123.8571 54.8965 42.1435 175.5664 54 G 4.1366 6.9259 104.5189 46.9623 0.0000 170.6378 55 N 5.5080 7.8482 116.6633 54.7390 45.7800 176.4327 *57 G 3.9123 7.5678 110.3654 44.8257 0.0000 172.1357 58 S 4.5029 8.4961 118.5505 58.2607 64.3397 174.0421 59 G 3.9770 9.0084 107.9177 46.4338 0.0000 173.1390 60 N 4.2986 8.3245 114.1170 54.4108 38.2977 174.7026 61 Q 4.5536 7.4127 115.6804 55.6052 28.5759 176.6250 *63 T 4.3086 8.1876 115.7409 62.8979 70.5854 172.7231 64 Q 4.9478 8.4019 120.3316 54.5558 32.5642 174.1916 65 Q 4.5273 8.6959 124.4521 54.3939 32.8869 173.7806 66 T 5.2659 8.2583 113.7352 60.5160 71.7740 172.8493 67 A 4.7052 8.7581 122.5287 51.1427 23.4056 175.5177 68 S 4.8346 8.6827 115.7107 58.1864 63.8392 173.7812 69 A 4.8208 9.0958 127.3706 50.5673 21.2927 176.0384 70 S 5.2927 8.5893 114.8365 56.4402 67.3870 172.3049 71 I 4.9803 8.2249 119.3500 59.6408 40.0101 175.7499 72 S 4.4226 8.6799 120.4739 57.0402 65.2487 173.8847 73 G 3.7610 8.3233 119.0633 47.2351 0.0000 173.1215 74 N 4.8779 8.7086 118.8721 52.3105 37.8965 173.4489 75 A 5.2026 7.8683 120.0901 51.0625 22.4661 176.2751 76 I 4.3762 8.5649 122.9054 60.5260 38.8539 175.0030 77 V 4.5772 8.7371 128.1138 61.1239 33.6441 174.6737 78 V 4.3405 8.4126 127.7738 60.5530 34.2932 175.3818 79 G 3.6956 8.8903 119.2619 47.4250 0.0000 174.7493 80 T 4.2397 8.5585 114.3889 61.8506 69.3974 174.0917 81 D 4.5507 8.2176 124.5404 54.5622 41.9214 175.0883 82 H 5.0163 8.9170 121.6715 54.2758 30.4120 174.4906 83 S 4.7198 9.0201 122.1981 56.9948 63.8118 173.5266 84 E 4.5017 8.9556 127.8294 55.9093 30.4294 176.6608 85 V 4.1009 8.4569 127.4416 62.6728 33.0086 174.4124 *87 Y 4.4433 8.1631 123.9968 57.5877 40.1652 173.5729 88 S 4.8737 7.8217 119.9053 56.6336 66.0808 173.8703 89 D 4.4784 8.7117 124.0726 52.6906 40.2341 178.0029 90 G 3.8479 8.2824 108.5766 46.3135 0.0000 175.0528 91 S 4.3537 8.2555 113.9307 59.5925 66.2588 175.1427 92 T 4.7593 9.2628 107.9429 61.9102 71.1272 171.1990 93 C 5.6730 8.3404 114.2108 54.8022 42.5441 172.6704 94 D 5.2987 9.4425 119.2854 52.7250 45.2045 174.5619 95 V 5.1475 9.3634 122.5295 61.4830 33.4043 175.1324 96 V 4.9138 9.1950 120.2954 59.6136 36.5342 174.2579 97 R 5.1569 8.8925 122.4979 54.6286 32.6801 174.4378 98 L 4.7886 8.8567 127.7668 54.2049 45.9010 175.5776 99 N 4.2724 9.9291 123.7711 54.5016 36.1783 175.1181 100 G 3.9295 8.4337 102.6372 46.0280 0.0000 173.9461 101 Q 4.6428 8.1248 119.0475 54.0503 30.9787 174.3402 102 I 4.9797 8.4493 122.1404 59.9077 39.3486 174.5591 103 E 5.2733 9.5455 126.5733 54.4098 33.3193 174.6070 104 L 5.1493 8.9873 126.4060 53.3610 44.1765 174.9388 105 W 5.4504 9.6653 127.3416 55.0260 32.0173 175.3045 106 I 5.2162 9.0946 116.5621 59.1774 40.4341 174.5490 107 H 3.8970 9.0889 125.2561 55.6544 30.4113 176.4344 108 S 4.2707 7.8864 118.4040 61.1037 62.8203 175.8326 109 S 4.1805 7.8940 113.7042 59.7152 63.4737 174.3009 110 A 4.7658 8.2863 123.6516 51.3515 19.1420 178.2718 111 T 3.6517 7.6054 106.7151 63.3320 69.1552 175.3486 112 S 4.7270 7.8240 116.0157 57.8755 63.1258 174.0666 113 N 5.0204 7.7488 117.9656 52.5867 36.9681 176.4421 114 T 3.5310 8.0374 116.0375 66.7931 68.8547 175.7544 115 G 4.0503 7.8924 108.1192 45.5649 0.0000 173.1271 116 N 5.0892 8.0026 117.3057 52.5420 39.5141 174.6631 117 L 4.2701 7.8688 116.8087 53.5770 43.2141 176.7042 118 N 4.1205 8.8021 118.1743 54.2575 39.1268 175.7792 119 S 4.1946 8.8838 120.9245 61.8647 63.0415 177.2420 120 C 3.9674 8.5806 120.2444 59.6543 40.6474 175.4908 121 C 4.4556 8.0746 118.5139 60.3137 40.0088 176.2269 122 T 3.9337 7.8849 110.9412 64.8525 68.3843 176.0803 123 D 4.3425 8.3915 122.0569 57.0657 40.8054 178.7579 124 K 4.1123 7.9697 119.7681 59.3388 32.2281 178.5862 125 F 4.1291 8.5444 121.0945 61.5791 39.1600 176.9573 126 N 4.2914 8.3806 114.9436 56.1563 38.1343 177.3218 127 Q 4.0903 8.3565 119.8297 59.1637 28.6904 178.6153 128 E 4.0419 8.1279 118.2545 58.6141 29.8210 178.9630 129 K 3.9316 7.9921 118.6549 57.3600 32.9096 178.2236 130 G 3.6396 7.7781 108.3321 47.2474 0.0000 174.5052 131 S 4.5613 8.6233 119.7859 57.8118 63.2154 174.1453 132 R 4.1608 7.6585 121.0673 55.1532 30.4179 174.8657 133 P 4.2842 0.0000 0.0000 62.8334 31.9254 175.7742 134 E 4.7700 8.3952 119.9566 55.9860 31.6574 175.0990 135 H 4.9072 9.0886 117.2354 54.0673 32.9596 172.5637 136 V 4.4579 8.4430 122.3603 61.7126 32.2193 175.1791 137 V 4.2320 8.9847 127.9513 63.9250 33.8915 175.2487 138 Y 4.6135 7.7538 122.3393 56.8263 39.5854 174.2060 139 R 4.3871 6.7564 121.0393 53.7358 32.6735 176.2632 140 S 3.9662 8.5424 113.5560 60.7423 63.0376 175.1871 141 T 4.1437 7.4557 108.6493 61.8447 69.0899 175.4986 142 C 4.2511 7.5456 120.7510 56.6696 40.6817 172.0465 143 P 4.6843 0.0000 0.0000 62.4012 32.9366 179.8324 144 N 5.1177 8.4715 119.6450 52.1988 37.6976 177.0379 *146 P 4.1366 0.0000 0.0000 63.4834 32.2809 176.2192 147 Q 4.2023 8.4344 117.5103 56.2198 29.2092 175.5538 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 4 C 8.45 4.68 0.00 2.89 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 5 D 7.91 4.44 0.00 2.82 2.68 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 6 T 9.25 3.94 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 1.22 0.00 0.00 7 V 7.97 4.09 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 0.64 0.00 0.00 0.83 0.00 0.00 8 S 9.08 4.40 0.00 3.94 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 9 A 8.72 3.91 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 10 W 8.17 4.26 0.00 3.35 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 11 Q 8.21 3.65 0.00 2.29 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 12 S 7.90 3.82 0.00 3.68 3.92 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 13 L 7.56 3.93 0.00 1.66 1.51 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.52 3.13 0.00 0.67 1.03 0.00 2.92 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 15 G 7.98 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 0.00 0.00 0.00 0.00 16 P 0.00 4.19 0.00 1.95 2.00 0.00 3.71 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 1.54 1.98 0.00 17 G 8.76 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 18 T 7.00 4.70 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 19 G 9.38 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.64 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 0.00 0.00 0.00 0.00 21 Y 9.14 5.24 0.00 2.83 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 22 Y 9.17 5.31 0.00 2.75 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 23 L 8.80 3.09 0.00 0.27 1.14 -0.01 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.23 4.62 0.00 2.94 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 25 K 7.27 4.91 0.00 0.79 1.09 0.00 1.42 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.52 0.21 7.81 26 T 8.67 5.36 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 1.27 0.00 0.00 27 T 8.74 4.36 4.26 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 1.15 0.00 0.00 28 E 8.34 4.23 0.00 1.97 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 2.28 2.25 0.00 29 G 8.44 3.50 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 0.00 0.00 0.00 30 G 8.61 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 31 K 7.24 4.17 0.00 1.74 1.74 0.00 1.74 0.00 0.00 2.01 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.52 7.81 32 T 8.34 4.11 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 33 D 8.56 4.66 0.00 2.67 2.62 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 34 C 9.05 4.27 0.00 3.32 3.42 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 35 T 7.40 4.57 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 1.30 0.00 0.00 36 Y 9.06 5.68 0.00 2.98 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 37 V 9.22 4.69 0.99 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 0.44 0.00 0.00 0.38 0.00 0.00 38 K 8.79 4.69 0.00 1.82 1.66 0.00 1.57 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.60 7.81 39 G 8.90 4.53 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 0.00 0.00 0.00 40 S 8.54 4.05 0.00 3.73 3.84 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 41 N 8.27 4.13 0.00 2.89 2.74 0.00 0.00 6.90 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 42 F 7.96 4.77 0.00 3.25 3.26 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 43 N 9.53 4.93 0.00 2.68 2.77 0.00 0.00 6.84 8.41 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 44 D 8.82 4.23 0.00 2.78 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 45 A 8.08 3.93 1.21 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 0.00 0.00 46 A 8.01 3.91 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 47 Q 7.13 2.00 0.00 1.86 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.64 0.00 0.00 0.00 0.00 0.00 1.16 1.71 0.00 48 T 6.80 5.04 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 1.13 0.00 0.00 49 A 8.81 5.25 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 50 T 8.72 4.72 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 1.23 0.00 0.00 51 Y 9.31 5.32 0.00 2.93 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 52 T 8.89 5.18 4.32 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 1.28 0.00 0.00 53 Y 8.97 4.50 0.00 2.89 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 54 G 6.93 4.14 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 0.00 55 N 7.85 5.51 0.00 3.08 2.93 0.00 0.00 6.85 6.31 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 *57 G 7.57 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 0.00 0.00 0.00 58 S 8.50 4.50 0.00 3.90 3.79 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 59 G 9.01 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 60 N 8.32 4.30 0.00 2.82 2.86 0.00 0.00 7.03 7.08 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 61 Q 7.41 4.55 0.00 2.09 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.28 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 *63 T 8.19 4.31 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 1.28 0.00 0.00 64 Q 8.40 4.95 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 65 Q 8.70 4.53 0.00 1.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 66 T 8.26 5.27 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 1.20 0.00 0.00 67 A 8.76 4.71 1.40 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 0.00 0.00 68 S 8.68 4.83 0.00 3.76 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 69 A 9.10 4.82 0.59 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 0.00 0.00 70 S 8.59 5.29 0.00 3.79 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 71 I 8.22 4.98 1.85 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.95 0.00 0.00 72 S 8.68 4.42 0.00 3.76 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 73 G 8.32 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.71 4.88 0.00 2.87 3.03 0.00 0.00 5.62 7.53 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 75 A 7.87 5.20 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 76 I 8.56 4.38 1.73 0.00 0.00 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 1.02 0.49 0.65 0.00 0.00 77 V 8.74 4.58 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 0.80 0.00 0.00 0.54 0.00 0.00 78 V 8.41 4.34 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 0.79 0.00 0.00 0.66 0.00 0.00 79 G 8.89 3.70 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 0.00 0.00 0.00 80 T 8.56 4.24 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 1.22 0.00 0.00 81 D 8.22 4.55 0.00 2.79 2.62 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 82 H 8.92 5.02 0.00 2.96 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.02 4.72 0.00 3.66 3.79 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 84 E 8.96 4.50 0.00 2.08 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 2.33 2.39 0.00 85 V 8.46 4.10 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 0.69 0.00 0.00 0.87 0.00 0.00 *87 Y 8.16 4.44 0.00 3.28 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 88 S 7.82 4.87 0.00 3.70 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 89 D 8.71 4.48 0.00 2.90 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 90 G 8.28 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 91 S 8.26 4.35 0.00 3.89 3.81 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 92 T 9.26 4.76 4.26 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 1.21 0.00 0.00 93 C 8.34 5.67 0.00 3.26 3.33 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 94 D 9.44 5.30 0.00 2.63 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 95 V 9.36 5.15 2.31 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 1.02 0.00 0.00 1.26 0.00 0.00 96 V 9.19 4.91 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 0.65 0.00 0.00 1.15 0.00 0.00 97 R 8.89 5.16 0.00 1.90 1.79 0.00 3.08 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 98 L 8.86 4.79 0.00 1.83 1.54 1.00 0.49 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 99 N 9.93 4.27 0.00 2.91 2.88 0.00 0.00 7.13 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 0.00 100 G 8.43 3.93 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 0.00 101 Q 8.12 4.64 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.60 2.48 0.00 102 I 8.45 4.98 1.76 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.00 0.89 0.00 0.00 103 E 9.55 5.27 0.00 2.25 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 2.29 2.38 0.00 104 L 8.99 5.15 0.00 1.17 0.96 1.10 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 W 9.67 5.45 0.00 3.47 3.34 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 0.00 106 I 9.09 5.22 1.78 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.21 0.94 0.00 0.00 107 H 9.09 3.90 0.00 2.59 2.98 0.00 5.59 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.89 4.27 0.00 3.99 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 0.00 109 S 7.89 4.18 0.00 4.00 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 0.00 110 A 8.29 4.77 1.21 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 0.00 0.00 111 T 7.61 3.65 3.81 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 0.64 0.00 0.00 112 S 7.82 4.73 0.00 3.95 3.93 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 0.00 113 N 7.75 5.02 0.00 2.81 2.93 0.00 0.00 7.01 6.91 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 0.00 114 T 8.04 3.53 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 1.09 0.00 0.00 115 G 7.89 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 0.00 116 N 8.00 5.09 0.00 2.61 2.75 0.00 0.00 6.97 8.43 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 0.00 117 L 7.87 4.27 0.00 1.70 1.65 1.04 0.98 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 0.00 118 N 8.80 4.12 0.00 2.80 2.87 0.00 0.00 6.66 7.77 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 0.00 119 S 8.88 4.19 0.00 4.07 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 0.00 120 C 8.58 3.97 0.00 2.31 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 0.00 0.00 0.00 121 C 8.07 4.46 0.00 3.28 3.30 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 0.00 122 T 7.88 3.93 4.33 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 1.30 0.00 0.00 123 D 8.39 4.34 0.00 2.68 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 0.00 124 K 7.97 4.11 0.00 2.04 1.95 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.61 7.81 125 F 8.54 4.13 0.00 3.30 3.25 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 0.00 126 N 8.38 4.29 0.00 2.79 2.87 0.00 0.00 7.14 8.52 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 0.00 127 Q 8.36 4.09 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 128 E 8.13 4.04 0.00 1.92 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 2.50 2.48 0.00 129 K 7.99 3.93 0.00 1.66 1.38 0.00 1.49 0.00 0.00 1.09 0.00 0.00 3.30 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 1.23 7.81 130 G 7.78 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 0.00 131 S 8.62 4.56 0.00 3.96 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 0.00 132 R 7.66 4.16 0.00 1.92 1.88 0.00 3.16 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 133 P 0.00 4.28 0.00 1.98 1.93 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 134 E 8.40 4.77 0.00 2.09 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 0.00 2.24 2.31 0.00 135 H 9.09 4.91 0.00 3.11 3.17 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.44 4.46 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 0.92 0.00 0.00 0.85 0.00 0.00 137 V 8.98 4.23 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 0.91 0.00 0.00 0.88 0.00 0.00 138 Y 7.75 4.61 0.00 3.48 2.95 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 0.00 139 R 6.76 4.39 0.00 1.72 1.75 0.00 2.91 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.31 0.00 140 S 8.54 3.97 0.00 3.94 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 0.00 141 T 7.46 4.14 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 1.15 0.00 0.00 142 C 7.55 4.25 0.00 2.77 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 0.00 143 P 0.00 4.68 0.00 2.03 1.99 0.00 3.74 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 2.11 0.00 144 N 8.47 5.12 0.00 2.70 1.92 0.00 0.00 7.26 8.02 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 *146 P 0.00 4.14 0.00 2.18 2.04 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.99 0.00 147 Q 8.43 4.20 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.68 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.