NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4815 8.1744 115.2492 62.1576 69.3848 173.4933 3 T 4.6054 7.5562 113.2654 60.6056 70.0499 171.5032 4 R 4.3761 8.7429 125.3694 56.8481 32.1687 176.1545 5 L 4.6358 7.5916 118.8482 53.5461 45.0436 176.2786 6 E 4.3130 8.6607 126.9688 55.1841 28.0385 177.0181 7 W 4.3404 8.3345 121.1805 59.2499 28.4975 178.2868 8 A 3.3869 6.6175 120.3168 54.4248 17.6617 179.2410 9 K 3.9761 7.6010 115.8493 59.1805 32.3513 178.9827 10 A 4.3860 7.7437 119.9166 53.8055 19.4098 177.7837 11 S 4.5662 8.3389 114.7397 54.8794 62.9270 172.2108 12 P 4.4758 0.0000 0.0000 65.2195 31.2282 177.6666 13 D 4.3780 8.2071 117.1341 57.3529 40.5752 178.4873 14 A 4.0958 7.8264 119.7144 55.2946 18.4863 178.7934 15 Y 4.3836 7.8927 116.3724 60.8767 39.2417 177.5613 16 A 4.0633 8.4064 121.8091 55.0363 18.4011 179.8904 17 A 3.8481 7.9130 115.8098 53.0790 18.0987 179.2207 *19 L 4.4392 8.0133 122.9739 56.1812 43.9799 179.6601 20 G 3.6114 7.8943 105.3142 47.5770 0.0000 175.7262 21 L 4.0387 7.5963 119.7976 57.9174 41.6105 179.5072 22 E 4.1441 8.2638 117.9889 59.1439 29.2378 179.1017 23 K 3.9049 8.2263 118.9971 59.4495 32.4400 178.3240 24 A 4.1645 7.9801 120.9255 55.2872 18.4008 179.6531 25 L 3.9640 8.0595 117.2751 57.8791 41.4753 179.5050 26 A 4.0303 8.1749 120.1054 54.8892 18.3605 179.1154 27 K 4.1628 7.5999 114.6400 56.6492 32.8456 177.4886 28 A 4.3209 7.1338 122.4746 51.7166 18.8715 178.1475 29 G 3.6651 8.8245 109.6878 47.8230 0.0000 174.3482 30 L 3.9563 7.7471 121.7663 55.2585 42.4770 177.1836 31 E 4.1433 8.7425 124.5123 56.2657 31.4494 177.9173 32 R 3.8392 8.5340 121.7647 59.2453 30.2934 177.1225 33 P 4.2299 0.0000 0.0000 65.2840 31.3004 178.3686 34 L 3.9958 7.8705 118.9366 58.1483 42.0650 178.7809 35 I 3.7236 7.5611 119.5348 64.5085 37.0295 178.2544 36 E 3.8989 8.3537 119.4566 59.2390 29.2683 179.2961 37 L 3.9947 7.9403 119.0626 57.8385 41.7316 179.6642 38 V 3.5926 7.9232 117.9790 66.3043 31.4734 177.6579 39 Y 3.9578 8.5935 116.7162 60.9606 37.7162 178.3851 40 L 4.0132 8.6005 121.5135 58.2142 42.2936 178.9228 41 R 4.1026 8.4784 119.0459 59.8382 29.9411 178.5487 42 T 3.8951 8.0661 115.5037 66.8505 68.3450 176.8549 43 S 4.4723 8.0961 118.3795 60.9721 62.8069 176.6955 44 Q 4.0235 8.2896 120.8541 59.1674 28.3095 179.0045 45 I 3.7586 7.6013 119.1798 64.4040 37.3025 177.6814 46 N 4.6417 8.3840 114.5292 52.8324 38.8080 175.1878 47 G 3.7748 7.6648 108.0434 47.0795 0.0000 174.9051 48 C 4.4721 8.1769 121.4784 57.4900 31.6127 172.3700 49 A 4.0294 8.4105 130.7744 54.9025 17.9244 178.1581 50 Y 3.9707 8.0762 116.8380 61.3394 39.0515 177.8939 51 C 4.3451 8.2728 115.5958 62.5823 28.5727 175.6734 52 V 3.8431 8.0729 120.1337 66.0283 31.0519 177.9836 53 N 4.4717 7.8832 112.3694 55.1535 38.3837 175.7756 *55 H 4.6871 8.1904 117.4687 55.3470 31.3039 175.5372 56 A 4.0520 8.2220 121.5986 55.0924 18.2237 179.4165 57 N 4.2631 8.1051 115.0234 56.6869 38.6642 177.5051 58 D 4.3503 8.0247 119.5146 57.0361 40.9144 178.5464 59 A 3.9903 8.3790 121.9429 55.2440 18.4042 179.7344 60 R 3.8796 7.8791 116.2611 59.5462 29.9114 179.4641 61 K 4.0067 7.7541 116.5877 58.9419 32.0149 178.1842 62 A 4.4578 7.6309 119.0276 51.9233 18.6361 178.1172 63 G 3.9114 8.0149 107.3184 45.7562 0.0000 174.5098 64 E 4.1013 7.9238 119.2988 56.4240 30.2646 177.2896 65 T 4.4414 7.8736 112.7434 60.7066 71.7985 176.0641 66 E 3.9671 8.4956 121.4558 59.3526 29.3511 179.2616 67 Q 3.7806 7.9288 119.2652 59.3895 28.9260 178.7666 68 R 3.8280 7.5847 118.3224 59.1893 29.8583 179.0957 69 L 4.1366 7.8401 118.1409 57.7326 41.6975 179.2143 70 Q 4.1890 8.3841 116.6199 58.3898 29.1032 177.3517 71 A 4.5647 7.9045 121.7731 53.0238 19.0078 178.7386 72 L 4.0277 7.8345 119.0738 58.2626 42.2709 178.3966 73 C 4.6335 8.2072 112.1574 59.9741 29.8967 174.0140 74 V 4.4935 7.8773 115.8407 60.4774 32.8492 177.7047 75 W 4.5493 8.5168 119.8659 59.7417 28.0285 177.8467 76 Q 3.3131 6.8784 116.8532 58.1602 27.9947 177.2666 77 E 4.6264 7.5858 115.7697 56.2627 29.9994 175.6159 78 T 4.5403 7.6526 107.5515 59.3909 71.6888 171.5618 79 P 4.6368 0.0000 0.0000 62.9898 31.4872 176.0627 80 Y 4.3968 7.0367 115.6316 59.2297 38.1975 175.3843 81 F 5.0985 7.8679 118.5891 55.3955 41.6190 176.0635 82 T 4.2183 8.8635 115.7069 60.7532 70.7482 173.7874 83 P 4.2352 0.0000 0.0000 66.0814 31.3081 178.8868 84 R 3.5512 7.7887 116.5634 59.3735 30.0338 178.2656 85 E 4.0309 8.3780 118.5159 59.4937 29.3687 179.5741 86 R 3.5489 8.5658 118.3555 58.8778 30.1344 178.8988 87 A 4.0421 8.0847 120.3959 55.2807 18.3672 179.5986 88 A 3.9692 8.1640 119.2651 55.3227 18.3550 179.9120 89 L 3.6482 8.0753 117.7406 57.3438 41.3518 179.5430 90 A 4.3146 8.1930 121.2322 54.9355 18.3283 179.2389 91 W 4.3227 8.3727 126.8876 61.1304 30.6931 178.0939 92 T 3.8395 8.3583 115.7894 66.8424 68.0688 176.4411 93 E 4.0217 8.5530 120.5402 59.5470 29.3074 179.5027 94 Q 3.9749 8.0272 116.9208 59.0479 28.8691 178.6009 95 L 3.8967 7.7297 118.7282 57.2636 41.6339 178.8219 96 A 4.1214 8.0946 120.6972 54.5765 18.5844 179.0340 97 R 4.5320 7.6343 115.1719 55.9878 31.2822 178.6697 98 L 3.9002 7.8983 123.6574 58.0006 42.3141 178.5886 99 S 4.0329 7.9272 111.2525 59.9748 63.2028 174.5268 100 Q 4.2398 8.7323 119.3024 55.5475 29.0607 175.7486 101 G 3.9749 6.5729 104.6761 44.2754 0.0000 172.0471 102 A 4.1387 7.8167 122.3951 51.7155 18.9125 177.4372 103 L 4.2123 8.1838 121.2933 53.2931 42.7898 175.6295 104 P 4.4351 0.0000 0.0000 63.3327 31.7811 176.5585 105 H 4.0525 9.5076 119.0355 59.3024 28.8215 176.5731 106 G 4.0320 8.0941 105.5308 45.6089 0.0000 175.0409 107 L 4.0539 8.1194 123.0008 58.0935 42.1407 178.8007 108 L 3.8112 8.1518 119.8036 58.2407 41.8452 178.3746 109 D 4.3784 8.0935 117.4313 57.4456 41.1319 177.9807 110 E 4.1069 8.4633 119.8458 59.1017 29.6695 178.5541 111 L 4.0832 8.0845 120.5111 58.1902 41.8870 179.0243 112 R 4.3320 7.8037 117.8943 57.9796 30.0174 178.2646 113 E 4.0877 7.8241 117.2884 58.3415 29.5393 177.0031 114 H 4.6470 8.0324 113.9664 55.3205 31.0456 174.2871 115 F 5.0213 7.7083 117.2149 54.7284 42.6398 174.2000 116 D 4.6939 9.1024 124.7402 52.8572 41.6903 177.4403 117 D 4.3415 8.5344 119.4665 57.3019 40.7509 178.9780 118 K 3.9540 8.0806 119.7396 59.5911 32.2999 178.5537 119 E 4.1750 9.0073 119.2908 59.4622 29.2769 179.4411 120 I 3.3480 7.8251 119.6828 64.0255 37.0227 178.2479 121 A 3.9945 8.0145 121.5872 55.3240 18.1526 179.5841 122 E 3.9082 8.2154 117.0329 59.4118 29.4446 179.3258 123 L 3.9066 8.3104 120.7505 58.5501 42.0174 179.2608 124 T 4.0977 8.2972 115.9623 66.3067 68.3573 176.5154 125 L 3.9497 8.3288 122.4891 58.0598 42.1561 178.7118 126 A 4.2272 8.3308 120.9535 55.4158 18.3696 179.6221 127 V 3.5417 8.0799 116.6824 66.4529 31.5617 178.4091 128 S 4.0771 8.4595 114.8654 61.4102 62.5776 176.6397 129 A 3.9271 8.4829 123.8816 55.2682 18.1805 179.5996 130 I 3.4942 7.5847 117.1587 64.0451 37.7473 177.6723 131 N 4.2598 8.2295 117.2715 56.1882 38.4018 177.1751 132 A 3.8824 8.0914 121.9595 55.0793 18.4669 179.5750 133 W 4.5537 8.4057 117.8368 60.3395 29.0097 178.5143 134 N 4.4812 8.8253 116.7018 56.4390 37.9457 177.7270 135 R 3.8596 7.7345 119.6779 59.0672 29.8759 179.1097 136 F 3.8010 7.7957 116.4618 60.1528 38.8977 177.6463 137 G 3.8895 8.3620 104.5761 47.9757 0.0000 175.6692 138 V 3.9599 8.0005 120.4251 65.2457 31.6437 178.9304 139 G 3.8756 7.6606 101.4227 44.4316 0.0000 173.2013 *141 G 3.5711 7.7537 108.8254 45.0161 0.0000 173.0899 *143 Q 4.1687 8.3822 124.0702 54.5906 29.8694 173.7525 144 P 4.3763 0.0000 0.0000 62.9356 32.5108 175.9879 145 E 4.0751 8.2519 118.0010 56.5219 30.4777 174.9099 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 T 8.17 4.48 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 1.23 0.00 0.00 3 T 7.56 4.61 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 1.21 0.00 0.00 4 R 8.74 4.38 0.00 1.86 1.98 0.00 3.25 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 5 L 7.59 4.64 0.00 1.60 1.61 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.66 4.31 0.00 2.04 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 2.34 2.27 0.00 7 W 8.33 4.34 0.00 3.71 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 8 A 6.62 3.39 -0.01 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 9 K 7.60 3.98 0.00 1.78 1.81 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.32 7.81 10 A 7.74 4.39 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 11 S 8.34 4.57 0.00 3.93 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 12 P 0.00 4.48 0.00 2.23 2.12 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 13 D 8.21 4.38 0.00 2.74 2.76 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 14 A 7.83 4.10 1.58 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 15 Y 7.89 4.38 0.00 2.62 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 16 A 8.41 4.06 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 17 A 7.91 3.85 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 *19 L 8.01 4.44 0.00 1.75 1.70 0.57 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.89 3.61 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 0.00 0.00 0.00 21 L 7.60 4.04 0.00 1.85 1.82 0.82 0.87 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 22 E 8.26 4.14 0.00 2.26 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 2.90 2.63 0.00 23 K 8.23 3.90 0.00 1.75 2.02 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 24 A 7.98 4.16 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 25 L 8.06 3.96 0.00 1.94 1.75 1.14 1.21 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 26 A 8.17 4.03 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 27 K 7.60 4.16 0.00 1.83 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.69 7.81 28 A 7.13 4.32 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 29 G 8.82 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 0.00 0.00 0.00 30 L 7.75 3.96 0.00 1.85 1.64 1.02 0.75 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 31 E 8.74 4.14 0.00 2.21 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 2.40 2.34 0.00 32 R 8.53 3.84 0.00 1.91 1.94 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 33 P 0.00 4.23 0.00 2.21 2.09 0.00 3.60 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 2.11 2.14 0.00 34 L 7.87 4.00 0.00 1.81 1.88 0.97 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.56 3.72 1.88 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 1.52 0.64 0.53 0.00 0.00 36 E 8.35 3.90 0.00 2.10 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 2.45 2.46 0.00 37 L 7.94 3.99 0.00 1.88 1.68 1.13 1.02 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 38 V 7.92 3.59 2.39 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 1.14 0.00 0.00 0.97 0.00 0.00 39 Y 8.59 3.96 0.00 3.13 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 40 L 8.60 4.01 0.00 1.85 1.77 1.00 0.92 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 41 R 8.48 4.10 0.00 1.91 1.93 0.00 3.50 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 42 T 8.07 3.90 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 1.18 0.00 0.00 43 S 8.10 4.47 0.00 4.08 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 44 Q 8.29 4.02 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 45 I 7.60 3.76 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.62 0.92 0.00 0.00 46 N 8.38 4.64 0.00 2.92 2.87 0.00 0.00 7.06 8.21 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 47 G 7.66 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 0.00 0.00 0.00 48 C 8.18 4.47 0.00 3.06 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 49 A 8.41 4.03 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 50 Y 8.08 3.97 0.00 3.04 3.11 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 51 C 8.27 4.35 0.00 3.13 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 52 V 8.07 3.84 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 1.02 0.00 0.00 1.04 0.00 0.00 53 N 7.88 4.47 0.00 3.01 2.58 0.00 0.00 7.25 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 *55 H 8.19 4.69 0.00 3.43 3.46 0.00 5.67 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.22 4.05 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 57 N 8.11 4.26 0.00 2.75 2.82 0.00 0.00 7.05 8.21 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 58 D 8.02 4.35 0.00 2.67 2.69 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 59 A 8.38 3.99 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 60 R 7.88 3.88 0.00 2.07 1.99 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 61 K 7.75 4.01 0.00 1.95 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.21 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.61 7.81 62 A 7.63 4.46 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 63 G 8.01 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 64 E 7.92 4.10 0.00 2.02 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 2.36 2.43 0.00 65 T 7.87 4.44 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 1.15 0.00 0.00 66 E 8.50 3.97 0.00 1.96 2.02 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 2.38 2.29 0.00 67 Q 7.93 3.78 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 1.70 1.40 0.00 68 R 7.58 3.83 0.00 1.91 1.98 0.00 2.92 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.27 0.00 69 L 7.84 4.14 0.00 1.65 1.77 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.38 4.19 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.85 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 71 A 7.90 4.56 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 0.00 0.00 0.00 0.00 0.00 72 L 7.83 4.03 0.00 1.95 1.85 0.58 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.21 4.63 0.00 3.23 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 74 V 7.88 4.49 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 1.05 0.00 0.00 1.07 0.00 0.00 75 W 8.52 4.55 0.00 2.91 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 76 Q 6.88 3.31 0.00 1.48 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.58 0.00 0.00 0.00 0.00 0.00 1.53 1.16 0.00 77 E 7.59 4.63 0.00 1.83 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 2.14 2.29 0.00 78 T 7.65 4.54 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 1.43 0.00 0.00 79 P 0.00 4.64 0.00 2.06 2.04 0.00 2.38 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.70 0.00 80 Y 7.04 4.40 0.00 2.33 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.87 5.10 0.00 3.19 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 82 T 8.86 4.22 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 1.23 0.00 0.00 83 P 0.00 4.24 0.00 2.20 2.23 0.00 3.61 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 84 R 7.79 3.55 0.00 1.65 1.79 0.00 2.82 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 0.00 85 E 8.38 4.03 0.00 2.36 2.02 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 2.40 2.41 0.00 86 R 8.57 3.55 0.00 2.04 2.28 0.00 3.47 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 87 A 8.08 4.04 1.42 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 0.00 0.00 88 A 8.16 3.97 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 89 L 8.08 3.65 0.00 0.27 0.13 -0.37 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.19 4.31 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 0.00 0.00 0.00 0.00 0.00 91 W 8.37 4.32 0.00 3.50 3.28 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 92 T 8.36 3.84 4.38 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 1.20 0.00 0.00 93 E 8.55 4.02 0.00 2.17 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 2.52 2.93 0.00 94 Q 8.03 3.97 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 95 L 7.73 3.90 0.00 1.36 1.46 -0.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.09 4.12 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 97 R 7.63 4.53 0.00 1.87 1.90 0.00 3.14 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 98 L 7.90 3.90 0.00 1.82 1.58 0.80 0.76 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 99 S 7.93 4.03 0.00 3.98 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 0.00 100 Q 8.73 4.24 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 101 G 6.57 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.82 4.14 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 0.00 103 L 8.18 4.21 0.00 1.62 1.61 0.61 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.44 0.00 2.30 2.26 0.00 3.74 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 2.16 2.06 0.00 105 H 9.51 4.05 0.00 3.13 3.48 0.00 5.88 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 0.00 106 G 8.09 4.03 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 0.00 0.00 0.00 107 L 8.12 4.05 0.00 2.05 1.94 1.13 0.68 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 0.00 108 L 8.15 3.81 0.00 2.00 1.74 0.69 1.31 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 0.00 109 D 8.09 4.38 0.00 2.89 2.74 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 0.00 110 E 8.46 4.11 0.00 2.10 2.18 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 2.42 2.42 0.00 111 L 8.08 4.08 0.00 1.69 1.52 0.72 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.80 4.33 0.00 2.01 1.97 0.00 3.16 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 113 E 7.82 4.09 0.00 1.86 1.86 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 2.31 2.61 0.00 114 H 8.03 4.65 0.00 2.86 2.76 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.71 5.02 0.00 2.92 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 0.00 116 D 9.10 4.69 0.00 2.96 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 0.00 117 D 8.53 4.34 0.00 2.78 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 0.00 118 K 8.08 3.95 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.62 1.54 7.81 119 E 9.01 4.18 0.00 2.36 2.18 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 2.43 2.57 0.00 120 I 7.83 3.35 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.59 0.00 0.00 121 A 8.01 3.99 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 0.00 122 E 8.22 3.91 0.00 2.17 2.02 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 2.34 2.48 0.00 123 L 8.31 3.91 0.00 1.38 1.56 0.85 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.30 4.10 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 125 L 8.33 3.95 0.00 1.86 1.90 0.95 1.49 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 0.00 126 A 8.33 4.23 1.56 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 0.00 127 V 8.08 3.54 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 0.93 0.00 0.00 1.04 0.00 0.00 128 S 8.46 4.08 0.00 4.07 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 0.00 129 A 8.48 3.93 1.56 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 0.00 130 I 7.58 3.49 0.56 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 1.35 1.21 0.75 0.00 0.00 131 N 8.23 4.26 0.00 2.95 2.79 0.00 0.00 6.88 6.61 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 0.00 132 A 8.09 3.88 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 0.00 133 W 8.41 4.55 0.00 3.53 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 0.00 134 N 8.83 4.48 0.00 2.92 2.90 0.00 0.00 7.04 7.20 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 0.00 135 R 7.73 3.86 0.00 1.72 1.70 0.00 3.16 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 136 F 7.80 3.80 0.00 3.04 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.36 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 0.00 0.00 0.00 138 V 8.00 3.96 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 0.85 0.00 0.00 1.02 0.00 0.00 139 G 7.66 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 *141 G 7.75 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 *143 Q 8.38 4.17 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 144 P 0.00 4.38 0.00 2.17 2.07 0.00 3.84 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 2.02 1.98 0.00 145 E 8.25 4.08 0.00 2.02 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 0.00 2.24 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.