NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3884 8.3193 115.2875 58.0971 64.0465 175.1203 3 E 4.2438 7.8979 115.1437 55.8978 29.5322 174.1962 4 H 4.7195 8.0727 114.1162 55.9492 30.6267 175.0234 5 E 4.0764 8.0663 120.6802 57.1631 30.3186 175.8622 6 R 5.5889 8.4769 123.3952 53.7648 33.8359 174.5964 7 T 4.7747 8.2997 115.2959 60.3577 71.8144 171.8078 8 F 5.2661 8.5856 128.6048 57.0270 41.3075 174.7410 9 V 4.6990 7.9191 125.2243 61.1809 35.2853 173.8341 10 M 5.0464 8.8148 124.1493 53.4048 35.1219 174.4610 11 V 4.1903 8.9935 123.1144 62.3801 32.3813 175.5933 12 K 4.4387 9.0197 128.4897 55.7410 33.0855 176.7234 13 P 4.5295 0.0000 0.0000 65.0265 30.8744 178.7754 14 D 4.6345 8.4555 118.1441 56.4188 39.4546 178.7508 15 G 3.6064 8.1341 106.7761 47.3501 0.0000 175.8568 16 V 3.6982 7.8833 120.5754 66.0263 31.3931 178.2310 17 Q 4.0806 8.0140 116.7073 58.6543 28.6594 178.0490 18 R 4.3447 7.8504 116.0236 55.1264 31.6976 175.8432 19 G 3.6785 7.6351 106.5111 46.6556 0.0000 173.9695 20 L 4.7467 7.8207 114.3087 53.7461 44.2422 179.2782 21 I 3.7974 8.0135 121.5667 64.6300 36.9808 178.3157 22 G 3.5333 7.8989 105.7864 47.8497 0.0000 175.3398 23 D 4.3610 7.9160 120.7728 57.0539 40.7125 178.7743 24 I 3.5340 7.7000 120.2973 64.0235 37.2494 178.4865 25 V 3.9249 8.0017 119.2400 66.1741 30.9016 178.1652 26 S 4.1646 8.0238 114.8643 61.7282 62.6775 176.8364 27 R 3.9741 7.3830 119.9163 59.2540 29.7406 179.2059 28 F 4.1063 7.0457 117.4530 60.3709 38.6170 177.5487 29 E 4.1140 8.5844 118.5588 59.8154 29.1508 179.0289 30 D 4.3670 9.0201 117.9597 57.6548 40.9281 178.8961 31 R 4.0456 7.7383 118.2244 57.5389 30.1363 177.4354 32 G 3.9990 8.0770 106.0740 44.6358 0.0000 173.4143 33 L 4.4201 7.5814 119.7879 54.6805 42.4945 176.3591 34 K 4.8686 9.2875 124.8747 55.0341 34.0947 174.9302 35 M 3.8637 8.9477 127.8204 55.4875 32.6309 175.9178 36 V 4.6791 8.4084 116.3107 60.7186 34.8954 175.3098 37 G 3.9713 7.4329 107.5816 44.6602 0.0000 172.5073 38 G 4.3309 8.4575 110.0592 44.9002 0.0000 172.5587 39 K 4.6649 9.2097 127.9789 55.1183 35.4907 174.5845 40 F 5.2784 9.2542 131.4151 58.1018 40.1658 174.2407 41 M 4.6732 8.0724 122.2356 54.5092 35.2028 173.0738 42 Q 4.6915 8.2697 120.6752 54.0578 30.6298 175.1807 43 I 3.7685 8.3080 128.5329 61.2308 37.8950 176.4697 44 D 4.6729 8.3660 125.3454 52.6085 41.9730 176.7432 45 Q 3.9179 8.6393 118.2485 59.3684 28.5348 179.0912 46 E 3.9338 8.1350 117.3895 59.7628 29.3566 178.8031 47 L 3.7028 8.3426 121.6348 57.4797 41.9744 178.4712 48 A 3.9830 7.8905 120.5211 55.6821 18.0148 179.5111 49 E 4.1943 8.0525 115.5159 59.2739 29.6715 178.7590 50 E 4.1142 8.3297 119.2943 59.1564 29.7194 177.9680 51 H 4.3306 8.4250 118.3475 58.6126 30.0763 176.0260 52 Y 5.0719 7.6331 117.3256 57.8554 38.7941 177.8448 53 G 3.9246 8.4213 110.1143 48.1156 0.0000 175.6035 54 E 4.0254 8.2800 117.1888 58.5820 29.8596 177.1433 55 H 4.7962 8.4088 116.5091 55.4200 29.1691 175.9498 56 E 2.0000 7.8326 123.0736 58.9078 29.2294 177.6652 57 D 4.4634 7.6805 114.6143 54.5525 41.3158 176.0201 58 K 4.4476 7.4258 119.8740 53.7475 33.9381 175.5521 59 P 4.2438 0.0000 0.0000 65.7278 31.5483 177.7284 60 F 4.5295 7.6442 111.3499 57.9793 38.8259 177.0044 61 F 3.9827 7.6400 124.6551 61.9344 38.9098 176.8080 62 D 4.3683 8.3678 117.6748 57.3299 40.6847 179.0144 63 G 3.6192 8.0539 105.6840 47.7081 0.0000 175.3576 64 L 3.9634 7.9890 122.9237 57.6680 41.5543 179.2689 65 V 3.5527 7.7385 118.3930 66.1984 31.2864 177.6507 66 D 4.4321 8.0984 117.5443 57.3155 40.9310 178.5698 67 F 4.4944 8.3851 120.9746 61.4231 39.3910 177.0640 68 I 3.3594 7.4090 115.8224 63.1606 37.8024 176.6440 69 T 4.3899 7.0758 113.3538 64.4698 69.4536 176.2938 70 S 4.4713 7.9656 116.0193 59.8548 63.3574 173.7713 71 G 4.2064 7.2004 108.7868 42.9465 0.0000 169.9046 72 P 4.4082 0.0000 0.0000 62.5122 32.5795 176.3958 73 V 4.3989 8.1712 115.1537 59.6600 35.5654 174.6481 74 F 5.1374 8.7867 123.2774 56.6963 41.3073 173.2562 75 A 4.7947 8.4991 129.1061 50.7795 20.6193 175.7632 76 M 4.9272 8.7415 119.1251 53.7252 35.8417 173.8627 77 V 4.7184 7.9859 118.5244 60.7866 35.1177 174.1952 78 W 5.2049 8.8282 125.8826 54.7669 33.0615 173.8781 79 E 5.1156 9.5715 124.5243 54.2467 31.9506 175.0956 80 G 4.7059 8.0944 113.1711 45.7505 0.0000 172.7390 81 Q 4.1081 8.2593 118.5100 57.0098 29.4658 175.7441 82 D 4.4728 8.9048 118.4228 54.9367 40.2508 175.1736 83 A 4.0140 7.5132 119.5009 55.3671 17.8236 180.3994 84 T 3.8218 8.2831 113.8300 66.7303 68.5565 177.0860 85 R 3.6508 7.8330 120.0779 59.4532 30.2468 178.2791 86 Q 3.9884 8.1789 117.9574 59.0718 28.8020 179.1351 87 V 3.6791 7.8476 119.1937 66.0207 31.3844 178.3709 88 R 4.0068 7.7429 116.7309 59.4030 29.6664 179.1136 89 T 3.9043 7.8412 114.7388 67.0272 68.7297 176.3432 90 M 4.2097 8.1631 120.4641 58.5898 31.8816 178.7492 91 M 4.1401 8.0871 118.9342 58.9144 32.4244 175.0639 92 G 4.1079 7.9543 103.5480 44.0759 0.0000 172.5171 93 E 4.3943 8.5112 121.8974 55.1688 30.9340 177.6689 94 T 4.0097 8.6745 118.7511 66.7183 68.7084 174.4031 95 D 4.5206 7.9613 121.2658 52.9997 41.9002 174.8727 96 P 4.2097 0.0000 0.0000 65.7083 31.4939 177.9365 97 A 4.1717 8.2321 118.0494 53.6596 18.2586 177.2316 98 E 4.6186 7.9377 113.9145 55.8219 30.6279 176.0089 99 S 4.6641 8.0337 115.7040 56.7939 64.5769 174.0797 100 A 4.3090 8.1430 125.9960 50.8497 19.2291 175.4875 101 P 4.4348 0.0000 0.0000 63.8357 32.0306 175.8516 102 G 4.1372 9.5217 111.1975 46.3671 0.0000 175.4146 103 T 4.3401 7.5768 109.8804 61.0132 70.9059 175.6369 104 I 3.8362 8.3907 124.0676 64.9831 37.2249 179.0881 105 R 4.2152 8.3531 118.8355 58.9527 29.8180 179.2609 106 G 3.6153 8.3092 105.0462 47.4002 0.0000 174.8596 107 D 4.3871 7.8369 119.7905 55.5085 41.1731 176.8680 108 Y 4.7085 7.7484 114.5977 57.5250 40.3944 175.8709 109 G 4.2497 8.0199 107.5616 43.9942 0.0000 173.2157 110 L 4.6672 8.2623 115.7720 54.0067 44.9351 176.6689 111 D 4.9488 7.6969 116.7572 51.6320 43.9730 175.9758 112 L 3.9172 8.7041 127.1292 58.1116 42.1086 178.3210 113 G 3.7091 7.9587 104.7730 46.6804 0.0000 173.9385 114 R 4.3165 7.4524 118.0080 53.9258 30.4819 175.0558 115 N 4.9753 8.0435 121.9803 52.8343 38.6550 179.0896 116 V 3.4087 8.8312 114.8529 63.4355 31.8925 173.2112 117 I 5.0577 8.6637 117.4008 59.9588 41.2639 173.6286 118 H 5.1362 9.3209 128.5218 54.5809 32.7009 173.0263 119 G 4.3993 8.0269 109.5989 44.3071 0.0000 172.5588 120 S 4.6251 8.5543 119.4989 58.6230 64.0819 173.6261 121 D 4.7087 8.7395 123.2689 53.3911 41.6825 176.9792 122 H 4.4998 8.8800 122.6802 58.2874 29.1009 176.6169 123 E 3.9365 8.3971 119.9027 58.8031 29.5251 176.5810 124 D 4.4536 7.7442 117.9632 52.3050 39.7345 173.2583 125 E 4.0933 8.4100 125.0461 59.7752 29.6444 176.8574 126 G 4.0492 9.0605 114.7157 45.1948 0.0000 174.1877 127 A 4.0048 8.5413 122.7827 55.1601 18.3051 179.0020 128 N 4.2340 8.3558 115.0548 56.8403 36.9175 176.6883 129 E 3.9665 8.2385 120.9257 58.6412 29.6403 179.2954 130 R 3.8909 7.8965 118.0775 59.6318 29.7297 178.5033 131 E 4.0565 8.8151 118.6179 59.0220 29.3107 179.1889 132 I 3.8473 8.1784 120.5743 64.4514 37.0067 177.8026 133 E 3.9636 8.2800 118.6176 59.5970 29.4948 178.6571 134 L 3.9328 7.7603 118.8714 57.6196 42.2760 177.7477 135 F 4.1483 7.6904 114.9399 58.0451 39.6910 176.1482 136 F 4.9381 8.3721 118.3690 55.6331 42.4491 174.1437 137 D 4.8262 9.0125 124.6971 53.0513 41.9914 177.4609 138 E 3.9504 8.8971 121.3318 59.7424 29.7649 179.5395 139 D 4.3672 8.2187 117.5397 57.2596 40.9037 176.9729 140 E 4.4020 8.4900 115.9139 56.6092 29.8746 175.7473 141 L 4.7821 7.3998 120.3003 53.0507 43.3110 175.9755 142 V 4.2741 8.6118 124.7051 61.2810 33.0146 174.4645 143 D 4.9556 8.8271 128.5132 53.0794 41.5545 175.2079 144 W 5.2233 8.5800 121.6728 55.4510 31.0432 173.3624 145 D 4.5837 8.7136 118.9658 52.4432 42.3420 175.6299 146 Q 4.2739 8.5334 125.2979 55.9312 30.0520 177.7060 147 I 3.3367 7.6409 126.1780 64.1258 38.1232 176.1798 148 D 4.6244 8.0012 117.7920 54.9862 40.0795 177.9059 149 S 4.1708 8.8199 116.6911 61.6911 62.2046 176.2190 150 S 4.2268 8.0760 111.2358 59.5133 63.0234 174.2877 151 W 4.5555 8.1251 119.8985 56.4632 29.7919 175.9230 152 L 4.2166 7.5656 120.6357 55.9199 42.6879 176.1309 153 Y 4.6824 7.2397 116.4601 56.6969 41.9371 175.5884 *154 E 4.1179 8.8020 117.4553 56.2743 30.5237 175.7312 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 S 8.32 4.39 0.00 3.81 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 3 E 7.90 4.24 0.00 1.20 1.52 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 0.00 1.81 1.70 0.00 4 H 8.07 4.72 0.00 3.07 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.07 4.08 0.00 2.03 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 0.00 2.39 2.37 0.00 6 R 8.48 5.59 0.00 1.69 1.77 0.00 3.24 0.00 0.00 3.77 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 7 T 8.30 4.77 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 1.19 0.00 0.00 8 F 8.59 5.27 0.00 3.16 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 9 V 7.92 4.70 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 1.08 0.00 0.00 0.78 0.00 0.00 10 M 8.81 5.05 0.00 1.42 1.91 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 11 V 8.99 4.19 2.30 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 1.01 0.00 0.00 1.17 0.00 0.00 12 K 9.02 4.44 0.00 2.10 1.81 0.00 2.01 0.00 0.00 2.03 0.00 0.00 3.06 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.56 7.81 13 P 0.00 4.53 0.00 1.93 2.00 0.00 3.12 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 14 D 8.46 4.63 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 15 G 8.13 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 16 V 7.88 3.70 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 1.28 0.00 0.00 1.15 0.00 0.00 17 Q 8.01 4.08 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 18 R 7.85 4.34 0.00 1.90 1.98 0.00 3.30 0.00 0.00 3.38 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 19 G 7.64 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 0.00 0.00 0.00 20 L 7.82 4.75 0.00 1.44 1.18 0.64 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.01 3.80 1.74 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 1.62 0.61 0.48 0.00 0.00 22 G 7.90 3.53 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 23 D 7.92 4.36 0.00 2.57 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 24 I 7.70 3.53 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.77 0.00 0.00 25 V 8.00 3.92 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 1.44 0.00 0.00 1.36 0.00 0.00 26 S 8.02 4.16 0.00 4.12 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 27 R 7.38 3.97 0.00 1.57 1.65 0.00 3.14 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 28 F 7.05 4.11 0.00 1.80 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 29 E 8.58 4.11 0.00 2.31 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 2.62 2.81 0.00 30 D 9.02 4.37 0.00 2.83 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 31 R 7.74 4.05 0.00 1.97 2.14 0.00 3.29 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 32 G 8.08 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 33 L 7.58 4.42 0.00 1.63 1.79 0.75 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 K 9.29 4.87 0.00 1.73 1.80 0.00 0.61 0.00 0.00 0.81 0.00 0.00 2.57 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.02 7.81 35 M 8.95 3.86 0.00 1.94 0.89 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 36 V 8.41 4.68 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 0.75 0.00 0.00 0.81 0.00 0.00 37 G 7.43 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 38 G 8.46 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 0.00 0.00 0.00 0.00 39 K 9.21 4.66 0.00 1.86 1.53 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.39 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.42 7.81 40 F 9.25 5.28 0.00 3.32 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 41 M 8.07 4.67 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.60 0.00 42 Q 8.27 4.69 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 43 I 8.31 3.77 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.90 0.00 0.00 44 D 8.37 4.67 0.00 2.90 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 45 Q 8.64 3.92 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 46 E 8.13 3.93 0.00 2.11 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 0.00 2.55 2.29 0.00 47 L 8.34 3.70 0.00 1.71 1.73 0.45 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.89 3.98 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 49 E 8.05 4.19 0.00 2.21 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 2.69 2.32 0.00 50 E 8.33 4.11 0.00 1.89 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 2.27 2.28 0.00 51 H 8.42 4.33 0.00 2.99 3.23 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 7.63 5.07 0.00 3.14 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 53 G 8.42 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 0.00 0.00 0.00 54 E 8.28 4.03 0.00 2.04 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 0.00 1.80 2.17 0.00 55 H 8.41 4.80 0.00 3.58 3.16 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.83 2.00 0.00 1.65 1.67 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 1.90 1.69 0.00 57 D 7.68 4.46 0.00 2.59 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 58 K 7.43 4.45 0.00 1.23 1.15 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.29 1.23 7.81 59 P 0.00 4.24 0.00 2.15 2.19 0.00 3.63 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 2.09 2.11 0.00 60 F 7.64 4.53 0.00 3.21 3.27 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 0.00 61 F 7.64 3.98 0.00 3.10 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 62 D 8.37 4.37 0.00 2.77 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 63 G 8.05 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 64 L 7.99 3.96 0.00 1.88 1.44 0.78 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.74 3.55 1.95 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 0.90 0.00 0.00 0.24 0.00 0.00 66 D 8.10 4.43 0.00 2.87 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 67 F 8.39 4.49 0.00 3.10 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 68 I 7.41 3.36 2.19 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.78 1.07 0.00 0.00 69 T 7.08 4.39 4.57 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 1.27 0.00 0.00 70 S 7.97 4.47 0.00 4.09 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 71 G 7.20 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 0.00 0.00 0.00 72 P 0.00 4.41 0.00 1.49 1.50 0.00 3.57 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 2.25 2.13 0.00 73 V 8.17 4.40 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 0.85 0.00 0.00 0.92 0.00 0.00 74 F 8.79 5.14 0.00 3.33 3.07 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 0.00 0.00 0.00 75 A 8.50 4.79 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 76 M 8.74 4.93 0.00 1.47 1.70 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 77 V 7.99 4.72 1.68 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 0.93 0.00 0.00 0.44 0.00 0.00 78 W 8.83 5.20 0.00 3.08 2.93 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 79 E 9.57 5.12 0.00 1.94 1.74 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 2.13 2.49 0.00 80 G 8.09 4.71 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 0.00 0.00 0.00 81 Q 8.26 4.11 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.30 0.00 0.00 0.00 0.00 0.00 2.79 2.46 0.00 82 D 8.90 4.47 0.00 2.93 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 83 A 7.51 4.01 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 84 T 8.28 3.82 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 1.33 0.00 0.00 85 R 7.83 3.65 0.00 1.71 1.99 0.00 3.13 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.33 0.00 86 Q 8.18 3.99 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 87 V 7.85 3.68 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 0.94 0.00 0.00 0.59 0.00 0.00 88 R 7.74 4.01 0.00 2.15 2.03 0.00 3.47 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 89 T 7.84 3.90 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 1.21 0.00 0.00 90 M 8.16 4.21 0.00 2.11 2.36 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.59 0.00 91 M 8.09 4.14 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.04 2.66 0.00 92 G 7.95 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 93 E 8.51 4.39 0.00 1.88 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 2.30 2.33 0.00 94 T 8.67 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 1.23 0.00 0.00 95 D 7.96 4.52 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.22 2.29 0.00 3.64 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 97 A 8.23 4.17 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 98 E 7.94 4.62 0.00 2.06 1.94 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 2.42 2.37 0.00 99 S 8.03 4.66 0.00 3.98 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 0.00 100 A 8.14 4.31 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 0.00 101 P 0.00 4.43 0.00 2.01 1.93 0.00 3.62 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 1.99 2.04 0.00 102 G 9.52 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 0.00 103 T 7.58 4.34 4.46 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 1.24 0.00 0.00 104 I 8.39 3.84 1.92 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 1.00 0.00 0.00 105 R 8.35 4.22 0.00 2.02 2.00 0.00 3.35 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 106 G 8.31 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 0.00 107 D 7.84 4.39 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 0.00 0.00 0.00 108 Y 7.75 4.71 0.00 3.03 2.91 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 0.00 109 G 8.02 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 0.00 0.00 0.00 0.00 110 L 8.26 4.67 0.00 1.58 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.70 4.95 0.00 2.66 2.40 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 0.00 112 L 8.70 3.92 0.00 1.57 1.63 0.88 0.95 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 0.00 113 G 7.96 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 0.00 0.00 0.00 114 R 7.45 4.32 0.00 1.59 1.83 0.00 2.78 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 115 N 8.04 4.98 0.00 2.89 3.02 0.00 0.00 6.21 7.68 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 0.00 116 V 8.83 3.41 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 1.10 0.00 0.00 1.01 0.00 0.00 117 I 8.66 5.06 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.94 1.05 0.00 0.00 118 H 9.32 5.14 0.00 3.45 3.20 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 0.00 119 G 8.03 4.40 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 0.00 120 S 8.55 4.63 0.00 3.88 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 0.00 121 D 8.74 4.71 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 0.00 122 H 8.88 4.50 0.00 3.34 3.44 0.00 5.58 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 0.00 123 E 8.40 3.94 0.00 2.04 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 0.00 2.30 1.99 0.00 124 D 7.74 4.45 0.00 2.85 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 0.00 125 E 8.41 4.09 0.00 1.96 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 2.31 2.40 0.00 126 G 9.06 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 0.00 127 A 8.54 4.00 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.36 4.23 0.00 3.21 3.19 0.00 0.00 6.18 7.66 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 0.00 129 E 8.24 3.97 0.00 2.02 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 2.42 2.33 0.00 130 R 7.90 3.89 0.00 1.91 2.13 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 131 E 8.82 4.06 0.00 2.23 1.80 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 2.43 2.55 0.00 132 I 8.18 3.85 2.05 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 1.85 0.97 0.94 0.00 0.00 133 E 8.28 3.96 0.00 2.10 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 0.00 2.61 2.46 0.00 134 L 7.76 3.93 0.00 1.59 1.76 0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.69 4.15 0.00 2.95 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 0.00 136 F 8.37 4.94 0.00 3.10 2.91 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 0.00 137 D 9.01 4.83 0.00 2.75 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 0.00 138 E 8.90 3.95 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 2.43 2.38 0.00 139 D 8.22 4.37 0.00 2.70 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 0.00 140 E 8.49 4.40 0.00 2.39 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 0.00 2.41 2.35 0.00 141 L 7.40 4.78 0.00 1.59 1.54 0.90 0.44 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 0.00 142 V 8.61 4.27 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 0.88 0.00 0.00 143 D 8.83 4.96 0.00 2.76 2.63 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 0.00 144 W 8.58 5.22 0.00 3.59 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 0.00 145 D 8.71 4.58 0.00 2.68 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 0.00 146 Q 8.53 4.27 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.41 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 147 I 7.64 3.34 1.99 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 1.57 0.57 1.00 0.00 0.00 148 D 8.00 4.62 0.00 2.93 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 0.00 149 S 8.82 4.17 0.00 3.87 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 0.00 150 S 8.08 4.23 0.00 3.71 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 0.00 151 W 8.13 4.56 0.00 3.28 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 0.00 152 L 7.57 4.22 0.00 1.57 0.95 0.76 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.24 4.68 0.00 2.91 2.71 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 *154 E 8.80 4.12 0.00 1.68 1.73 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 2.12 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.