NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8576 8.2833 119.1782 53.0177 40.3276 175.2025 2 L 4.0955 8.4191 124.9229 57.1383 41.5409 179.0523 3 F 4.4686 10.4036 122.9650 61.4477 39.6838 176.9641 4 Q 3.9037 7.9840 117.3369 58.7331 28.5521 178.1935 5 F 4.3765 8.3283 121.5589 61.4420 39.4028 177.1170 6 A 3.7360 8.2399 120.4013 54.6607 17.9856 179.5808 7 K 3.7386 7.7793 118.4633 59.7538 32.2879 179.0111 8 M 4.3992 8.1585 119.0061 58.5585 31.9369 178.6340 9 I 3.6728 7.5355 119.7671 64.7439 37.2380 178.3849 10 N 4.7328 8.3539 117.2975 56.1861 38.0783 177.7806 11 G 3.1762 8.1646 106.5563 46.8750 0.0000 175.2281 12 K 4.4090 7.9812 119.4714 57.5639 32.8023 177.9139 13 L 4.7349 8.2646 116.7937 52.4150 43.7224 175.8963 14 G 3.8596 7.5426 105.6028 43.8820 0.0000 172.7858 *16 A 4.0492 8.1681 121.3950 52.9964 19.6725 176.9752 17 F 4.1461 8.3562 118.3666 58.3914 37.2909 177.2565 18 S 4.2284 8.1526 119.2123 61.6111 62.4522 176.6524 19 V 3.6703 8.4545 122.2578 64.9147 30.5496 178.3360 20 W 4.1636 8.2089 117.7583 58.7556 28.9569 177.4077 21 N 4.4635 8.3012 115.7810 54.4742 38.0723 175.1112 22 Y 4.2619 7.3138 116.3119 57.4374 38.5535 175.8844 23 I 3.9620 7.4514 121.7897 60.8922 37.0333 173.0353 24 S 3.9302 8.8855 121.7394 58.2116 59.6783 166.4870 25 Y 4.8985 8.7344 123.1898 56.1458 42.6758 174.9371 26 G 3.4236 7.7747 115.7290 46.9135 0.0000 173.4988 27 C 4.6019 8.9813 115.7854 57.2600 39.9317 174.3533 28 Y 4.3022 8.6826 115.6228 57.5407 39.7459 174.5524 29 C 4.7710 8.4119 117.9137 60.0541 39.8430 171.3439 30 G 3.4220 8.5826 113.9962 43.7607 0.0000 171.6203 31 W 4.0968 8.5947 121.9618 57.6784 29.5438 177.0213 32 G 3.9837 8.8673 114.0798 45.0509 0.0000 172.6875 33 G 3.8626 8.1542 102.1803 44.7052 0.0000 172.8468 34 Q 4.4546 7.1744 120.5279 56.2803 32.0825 175.2098 35 G 4.1275 8.5890 104.7167 45.3614 0.0000 172.2058 36 T 4.6173 8.2090 110.5278 58.6880 71.1429 172.3089 37 P 4.5278 0.0000 0.0000 63.5335 31.6967 176.5622 38 K 4.0020 9.1646 121.7377 57.4970 32.5465 176.0082 39 D 4.3599 7.3265 116.1662 51.7524 42.0187 176.0470 40 A 4.0235 8.5306 120.0123 56.0692 17.7774 179.6771 41 T 4.0663 8.1724 113.4690 67.2119 68.6397 176.2039 42 D 4.6405 9.7660 120.6598 57.3418 41.1675 178.2054 43 R 4.0144 8.4254 119.7266 59.2157 29.9404 177.7010 44 C 4.2490 8.2843 116.7085 60.3687 37.3268 175.5170 45 C 4.3075 8.2454 117.5370 59.6986 40.9528 175.9260 46 F 3.8260 8.1758 122.4388 61.1742 38.8960 177.2856 47 V 3.3707 8.1899 118.2596 66.2260 31.3055 177.4034 48 H 3.7965 8.2806 118.0869 59.1019 29.6350 176.6360 49 D 4.1006 8.3251 120.1668 57.5680 41.1820 177.6803 50 C 4.0998 7.8268 116.9396 60.0209 39.9044 175.1167 51 C 4.0498 8.0630 119.4567 59.9295 43.3213 175.1222 52 Y 4.3144 7.9800 118.4092 61.0198 37.3068 178.2375 53 G 3.6936 7.9822 105.4395 47.5844 0.0000 174.8892 54 R 4.2661 7.5722 117.0150 55.5100 30.7878 176.6351 55 V 3.9149 7.3227 120.2264 62.1832 32.4120 175.3524 56 R 4.5303 8.0889 124.3906 54.5275 33.9116 176.2648 *59 G 4.1749 8.3369 107.4064 45.7613 0.0000 173.3223 *61 C 4.6639 7.6198 115.8633 56.8193 38.1721 172.3320 *67 N 4.9398 8.5030 117.5368 52.7668 38.5153 173.0151 68 P 4.1269 0.0000 0.0000 65.0986 31.4986 177.4451 69 K 4.3788 8.0954 117.0820 56.7535 32.7191 177.9641 70 L 4.4450 7.8179 116.8810 55.2507 43.8406 177.1030 71 A 4.0524 8.2719 121.3905 52.2752 18.7748 176.5003 72 I 4.3136 8.2026 122.9905 59.6725 38.6651 174.7951 73 Y 4.8634 7.6552 122.9850 54.9944 40.8877 174.0400 74 A 5.1032 8.6257 120.9494 50.8015 21.5911 175.5817 75 Y 5.2832 8.0128 118.3521 56.9796 41.0983 172.6574 76 S 4.2700 8.4458 112.9815 58.0295 66.8538 174.2481 77 F 5.1015 8.9005 118.8701 55.5483 41.0186 175.6593 78 K 4.3005 9.2114 125.1704 55.0229 33.2412 175.9778 79 K 4.1265 9.5694 128.7857 57.6419 29.1770 176.7827 80 G 4.0650 8.4402 103.5390 45.6391 0.0000 172.4940 81 N 5.1372 7.7621 116.9852 50.9126 41.5950 174.3261 82 I 3.4501 8.1534 123.9871 61.4163 38.3640 176.2206 83 V 4.1816 8.8166 125.8945 61.3184 34.2317 173.4229 84 C 4.5871 8.8208 126.5721 56.9987 40.2277 174.0290 85 G 3.9307 8.4708 118.0435 45.6249 0.0000 175.4687 86 K 4.0775 8.7656 118.2261 57.2707 30.8039 175.0309 *88 N 5.1890 7.9834 121.8304 53.8431 39.9055 173.9290 89 N 4.9984 8.1500 118.1609 52.3859 43.4954 176.2109 90 G 3.7866 8.5733 109.0724 46.4802 0.0000 174.5921 91 C 4.1400 8.9313 114.7258 58.8319 42.5886 175.7932 92 L 3.8046 8.0428 121.3401 57.5336 41.1463 179.5024 93 R 3.7949 7.8605 117.6585 59.4780 30.0599 178.0924 94 D 4.2473 7.7816 118.3254 57.3610 40.8392 178.7645 95 I 3.5365 8.3914 121.3159 64.6177 37.0928 177.6044 96 C 2.9481 7.7382 119.0442 59.2428 40.7724 175.2363 97 E 3.6884 7.9242 120.8559 59.1803 29.2240 178.1687 98 C 4.1276 8.1261 116.7972 60.1120 37.3882 175.9094 99 D 3.8419 7.7902 120.2908 57.0734 40.4276 178.5857 100 R 3.7426 8.0447 119.6472 59.5736 29.9968 178.6854 101 V 3.4686 7.6273 117.5570 65.8239 31.5047 177.8371 102 A 3.5485 7.7642 120.1153 54.8723 18.2185 179.4465 103 A 3.8212 8.3560 119.6478 55.4800 18.5114 179.7086 104 N 4.3088 8.1057 114.9609 56.4118 38.6244 176.8972 105 C 4.2980 8.0651 120.1371 59.4519 43.4298 175.6929 106 F 4.4141 7.5321 118.4846 60.9320 38.9091 176.6600 107 H 4.2747 8.2189 117.7627 59.5195 29.4269 176.9596 108 Q 4.1237 8.5981 120.3758 58.4722 29.0486 177.0848 109 N 5.0002 7.8634 115.6915 52.9960 39.1395 176.5394 110 Q 4.1332 7.8854 122.7945 59.5327 28.2928 178.2980 111 N 4.4735 8.3146 116.5559 54.7005 37.3624 175.2584 112 T 4.5612 7.7377 107.6060 61.1454 69.2572 173.4915 113 Y 3.9589 8.0799 124.0563 58.2464 39.1934 175.0208 114 N 4.7368 9.0462 126.5835 51.4524 39.4817 174.8279 115 K 4.1316 8.7566 126.7906 59.7316 32.3028 179.0252 116 N 4.3896 8.2503 114.8877 55.4336 38.6176 175.3225 117 Y 4.4614 7.9894 115.7998 58.4307 38.4604 175.7273 118 K 4.2383 7.7941 120.6846 57.5717 32.6823 176.9681 119 F 4.3507 8.1890 122.4956 57.0676 36.9903 175.8943 120 L 4.0692 7.8092 120.4321 54.8214 43.0492 176.2278 121 S 4.2214 8.6451 119.4379 58.4834 63.2883 175.0146 122 S 3.9945 8.7583 121.2740 61.2551 62.3222 176.0062 *124 S 4.4586 7.8484 112.4296 58.0040 64.4335 174.2825 125 R 4.4375 7.8107 118.6085 56.5606 29.8519 175.7212 126 C 5.0532 7.8668 114.6518 56.8204 41.2847 175.4808 127 R 3.8172 8.0872 119.4821 58.0536 30.3127 176.6591 128 Q 4.3489 7.9303 117.5212 55.8110 30.1624 175.8839 129 T 4.2026 8.2830 110.6533 61.9200 69.5387 174.6007 130 S 4.6774 8.7459 121.2051 58.2262 62.9446 173.6162 131 E 3.9198 8.4199 126.6442 56.5214 29.8578 176.7088 132 Q 4.5733 8.4032 122.9362 55.1964 30.3005 176.4097 133 C 4.4456 8.6943 115.9160 57.4914 41.2345 173.7072 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 1 N 8.28 4.86 0.00 2.76 2.76 0.00 0.00 7.08 5.78 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 2 L 8.42 4.10 0.00 1.84 1.83 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 F 10.40 4.47 0.00 3.01 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 7.98 3.90 0.00 2.08 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.49 2.34 0.00 5 F 8.33 4.38 0.00 3.25 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 6 A 8.24 3.74 1.28 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 0.00 0.00 7 K 7.78 3.74 0.00 1.89 1.98 0.00 1.36 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.58 1.56 7.81 8 M 8.16 4.40 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.21 0.00 9 I 7.54 3.67 1.78 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.25 0.77 0.00 0.00 10 N 8.35 4.73 0.00 2.75 2.76 0.00 0.00 7.00 7.31 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 11 G 8.16 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 0.00 0.00 0.00 12 K 7.98 4.41 0.00 2.11 1.96 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.68 1.67 7.81 13 L 8.26 4.73 0.00 1.69 1.70 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.54 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 A 8.17 4.05 1.28 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 0.00 0.00 17 F 8.36 4.15 0.00 3.43 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 18 S 8.15 4.23 0.00 4.04 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 19 V 8.45 3.67 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 0.61 0.00 0.00 0.61 0.00 0.00 20 W 8.21 4.16 0.00 3.55 3.43 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 0.00 0.00 0.00 0.00 21 N 8.30 4.46 0.00 2.11 1.71 0.00 0.00 6.81 7.32 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 22 Y 7.31 4.26 0.00 2.66 2.51 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 23 I 7.45 3.96 1.90 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.43 1.06 0.00 0.00 24 S 8.89 3.93 0.00 4.33 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 25 Y 8.73 4.90 0.00 3.02 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 26 G 7.77 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 0.00 0.00 0.00 27 C 8.98 4.60 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 Y 8.68 4.30 0.00 3.30 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 29 C 8.41 4.77 0.00 3.46 3.45 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 30 G 8.58 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 0.00 0.00 0.00 31 W 8.59 4.10 0.00 3.35 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 32 G 8.87 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 33 G 8.15 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.17 4.45 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 35 G 8.59 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 0.00 0.00 0.00 36 T 8.21 4.62 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 1.20 0.00 0.00 37 P 0.00 4.53 0.00 1.91 1.99 0.00 3.42 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 38 K 9.16 4.00 0.00 0.94 0.92 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.05 7.81 39 D 7.33 4.36 0.00 2.95 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 40 A 8.53 4.02 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.17 4.07 4.63 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 1.26 0.00 0.00 42 D 9.77 4.64 0.00 2.93 2.89 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 43 R 8.43 4.01 0.00 1.98 2.13 0.00 3.16 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 44 C 8.28 4.25 0.00 3.39 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 45 C 8.25 4.31 0.00 3.42 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 46 F 8.18 3.83 0.00 2.65 3.05 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 47 V 8.19 3.37 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 0.92 0.00 0.00 1.04 0.00 0.00 48 H 8.28 3.80 0.00 3.08 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.33 4.10 0.00 2.82 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 50 C 7.83 4.10 0.00 2.86 2.88 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 51 C 8.06 4.05 0.00 2.95 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 52 Y 7.98 4.31 0.00 3.06 2.88 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 53 G 7.98 3.69 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 0.00 0.00 0.00 54 R 7.57 4.27 0.00 1.79 1.94 0.00 3.12 0.00 0.00 3.11 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 55 V 7.32 3.91 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 0.65 0.00 0.00 0.86 0.00 0.00 56 R 8.09 4.53 0.00 1.79 1.74 0.00 3.35 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 *59 G 8.34 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 0.00 0.00 0.00 0.00 *61 C 7.62 4.66 0.00 2.97 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 *67 N 8.50 4.94 0.00 2.72 2.73 0.00 0.00 7.42 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 68 P 0.00 4.13 0.00 0.49 1.38 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 69 K 8.10 4.38 0.00 2.02 1.95 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.66 1.50 7.81 70 L 7.82 4.45 0.00 1.57 1.68 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.27 4.05 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 72 I 8.20 4.31 1.85 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 1.43 0.63 0.86 0.00 0.00 73 Y 7.66 4.86 0.00 3.21 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 74 A 8.63 5.10 1.32 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 0.00 0.00 0.00 75 Y 8.01 5.28 0.00 2.95 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 76 S 8.45 4.27 0.00 3.82 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 77 F 8.90 5.10 0.00 2.90 3.03 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 78 K 9.21 4.30 0.00 1.74 1.67 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.42 7.81 79 K 9.57 4.13 0.00 1.96 1.87 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 80 G 8.44 4.07 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 0.00 0.00 0.00 81 N 7.76 5.14 0.00 2.83 2.67 0.00 0.00 6.99 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 82 I 8.15 3.45 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.13 0.68 0.00 0.00 83 V 8.82 4.18 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 0.93 0.00 0.00 0.96 0.00 0.00 84 C 8.82 4.59 0.00 2.82 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 85 G 8.47 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 86 K 8.77 4.08 0.00 2.00 2.02 0.00 1.44 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.54 7.81 *88 N 7.98 5.19 0.00 2.73 2.91 0.00 0.00 7.05 8.00 0.00 0.00 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 N 8.15 5.00 0.00 2.64 2.65 0.00 0.00 7.00 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 90 G 8.57 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 0.00 0.00 0.00 91 C 8.93 4.14 0.00 3.10 3.45 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 92 L 8.04 3.80 0.00 1.87 1.85 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.86 3.79 0.00 1.90 2.13 0.00 3.29 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 1.64 1.62 0.00 94 D 7.78 4.25 0.00 2.88 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 95 I 8.39 3.54 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.85 0.90 0.00 0.00 96 C 7.74 2.95 0.00 2.01 2.79 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 97 E 7.92 3.69 0.00 2.17 1.98 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 2.22 2.29 0.00 98 C 8.13 4.13 0.00 3.22 2.97 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 99 D 7.79 3.84 0.00 2.61 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.04 3.74 0.00 1.70 1.85 0.00 2.98 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 101 V 7.63 3.47 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 0.85 0.00 0.00 0.92 0.00 0.00 102 A 7.76 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 103 A 8.36 3.82 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 0.00 104 N 8.11 4.31 0.00 2.68 2.83 0.00 0.00 6.70 7.12 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 0.00 105 C 8.07 4.30 0.00 3.02 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 0.00 106 F 7.53 4.41 0.00 2.96 2.52 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 0.00 107 H 8.22 4.27 0.00 3.27 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.60 4.12 0.00 2.13 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 109 N 7.86 5.00 0.00 3.04 2.90 0.00 0.00 6.70 7.25 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 0.00 110 Q 7.89 4.13 0.00 2.31 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 111 N 8.31 4.47 0.00 2.87 3.03 0.00 0.00 5.82 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 0.00 112 T 7.74 4.56 4.34 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 1.28 0.00 0.00 113 Y 8.08 3.96 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 9.05 4.74 0.00 2.62 2.34 0.00 0.00 6.79 6.43 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 0.00 115 K 8.76 4.13 0.00 1.89 1.95 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.82 1.67 7.81 116 N 8.25 4.39 0.00 2.45 2.68 0.00 0.00 7.01 7.91 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 0.00 117 Y 7.99 4.46 0.00 2.11 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 0.00 0.00 0.00 118 K 7.79 4.24 0.00 1.86 1.43 0.00 2.11 0.00 0.00 1.93 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.63 7.81 119 F 8.19 4.35 0.00 3.25 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 0.00 120 L 7.81 4.07 0.00 1.76 1.65 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.65 4.22 0.00 3.92 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 0.00 122 S 8.76 3.99 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *124 S 7.85 4.46 0.00 4.05 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 0.00 125 R 7.81 4.44 0.00 1.98 1.99 0.00 3.13 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 126 C 7.87 5.05 0.00 2.89 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 0.00 127 R 8.09 3.82 0.00 1.80 1.98 0.00 3.39 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 128 Q 7.93 4.35 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 129 T 8.28 4.20 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 1.22 0.00 0.00 130 S 8.75 4.68 0.00 3.87 4.07 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 0.00 131 E 8.42 3.92 0.00 1.66 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 2.21 2.16 0.00 132 Q 8.40 4.57 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 133 C 8.69 4.45 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.