NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3675 0.0000 0.0000 62.3999 32.5609 175.9187 9 A 4.1264 8.2833 121.2022 54.5939 19.0742 178.1777 10 N 4.5025 8.8662 113.9322 55.9080 39.4000 175.8619 11 S 4.1676 8.0896 116.3711 61.3468 62.6868 176.6209 12 T 4.0384 7.5884 118.0154 66.5112 68.4671 177.4429 13 V 3.4704 7.5744 120.5752 64.7289 31.3934 178.2218 14 L 3.8260 8.2169 120.0929 57.4182 41.2255 179.3229 15 S 4.2876 7.7224 112.2308 60.8017 62.3598 175.3526 16 F 4.6440 7.6860 122.7321 60.6664 39.6059 176.7831 17 C 3.7538 7.7929 116.1306 62.0615 27.8537 175.0586 18 A 3.6094 7.8374 121.6138 55.5097 17.9089 178.4060 19 F 4.3164 7.4799 112.5553 57.7429 39.4053 176.2095 20 A 4.1395 7.4861 125.3912 51.6682 18.6671 179.1730 21 V 3.3993 8.4958 115.7502 64.1138 32.0047 176.1731 22 D 4.6819 7.5124 118.2933 50.1142 41.5400 173.2052 23 P 4.1153 0.0000 0.0000 65.1632 31.4917 177.4187 24 A 3.9247 7.9560 118.6005 55.1055 18.3933 179.3847 25 K 3.8469 8.0150 117.9521 59.4618 32.1794 178.5217 26 A 4.0260 7.9100 121.0668 55.6991 18.2771 179.0225 27 Y 4.3169 8.0508 117.6447 60.7562 38.7336 178.3199 28 K 3.8345 8.0487 120.7726 59.4941 32.3266 178.6423 29 D 4.3906 8.5526 119.7227 57.2623 40.7185 178.0122 30 Y 4.0941 8.5711 120.5136 60.7041 38.7948 178.2716 31 L 3.8536 7.9338 119.5254 57.8314 41.5404 179.2590 32 A 3.9651 7.6095 119.1430 55.0760 18.1745 178.7805 33 S 4.4838 7.4772 111.6364 58.3661 62.9697 175.2503 34 G 3.7910 8.3912 109.9618 45.2343 0.0000 174.6796 35 G 2.5818 7.2431 108.3968 44.8851 0.0000 173.5595 36 Q 4.1946 8.3298 123.3133 54.4547 29.8838 174.1558 37 P 4.6548 0.0000 0.0000 62.6231 32.0170 176.2655 38 I 3.8810 8.4758 123.2750 61.9053 37.2996 175.8998 39 T 4.5713 9.4734 115.4904 60.6310 71.2865 172.9590 40 N 4.4335 8.8056 114.9814 54.4196 34.6875 174.4684 41 C 4.7200 7.9318 114.5980 58.0705 30.3284 174.5863 42 V 3.8700 8.2131 118.5186 61.4269 32.4216 174.9117 43 K 4.5139 8.3544 125.4428 54.6887 33.9092 175.6970 44 M 4.2481 8.5472 127.3027 55.1059 33.1133 176.6206 45 L 4.4377 8.3089 123.4058 53.0506 41.1513 174.9268 46 C 4.7650 7.6337 118.3963 55.4967 32.4593 175.5982 47 T 3.7982 8.2890 108.9359 62.5625 68.6639 174.2223 48 H 4.1707 7.7663 118.9175 57.1630 26.9971 174.9156 49 T 4.8687 7.6079 106.7599 61.4193 68.8056 173.4660 50 G 4.0761 7.8268 111.2298 44.6273 0.0000 174.0567 51 T 3.7941 8.2265 109.1609 63.1161 68.2999 175.6197 52 G 4.2708 8.5955 108.6851 45.3340 0.0000 173.6263 53 Q 4.1623 7.5393 117.9733 55.4411 29.5653 176.4486 54 A 3.8099 8.6252 122.3912 54.6528 18.8834 177.5522 55 I 5.1140 7.3661 114.6055 59.7796 40.2435 174.7231 56 T 4.8289 9.2344 116.7469 59.9174 72.2693 175.2715 57 V 4.1661 8.6235 114.2617 62.9484 32.1673 176.5868 58 T 4.5381 7.5380 108.2777 58.7073 71.5665 171.6609 59 P 4.0041 0.0000 0.0000 63.7642 31.6626 176.0637 60 E 4.6522 10.4500 123.8578 55.7828 31.1195 175.7829 61 A 4.5109 7.5867 121.5769 52.2354 19.1946 177.8530 62 N 5.5672 8.3046 117.1537 50.2841 40.0374 175.2468 63 M 4.2006 8.5795 116.5457 58.1421 32.2064 177.1274 64 D 4.6865 8.7443 117.9653 54.8429 41.9327 175.2531 65 Q 5.1404 8.1690 118.0777 54.2824 33.3693 173.6682 66 E 5.0533 8.9916 117.1791 55.3611 34.2301 175.0913 67 S 5.3949 8.4689 118.0328 57.1418 65.6677 173.2019 68 F 5.3165 9.5797 122.0369 55.4661 43.7159 174.0655 69 G 3.8853 8.9252 108.0030 45.7076 0.0000 174.4570 70 G 3.9916 9.0337 114.9649 48.9438 0.0000 175.0858 71 A 4.1381 8.2344 122.7373 54.6437 18.4133 179.6294 72 S 4.3922 7.7361 107.1993 60.0813 63.0276 174.3586 73 C 4.5595 9.4846 118.2905 59.3700 29.8791 172.4924 74 C 4.7339 7.9885 120.8562 55.1545 44.4648 173.0270 75 L 3.4895 8.4564 130.8759 58.6448 41.4719 178.4968 76 Y 3.7330 7.5641 115.5757 61.3463 37.4658 179.0440 77 C 4.3670 8.2106 116.7822 60.0318 40.0652 176.2778 78 R 3.7302 7.9065 119.2181 58.7796 29.7840 177.9042 79 C 4.0983 7.6953 113.9756 59.1142 29.7374 172.7164 80 H 3.9677 7.4124 116.2088 56.0714 25.4115 172.3568 81 I 4.5295 7.5445 111.6409 59.3730 41.2948 174.6937 82 D 4.6650 8.2272 119.6923 54.0566 42.1165 175.2781 83 H 4.3939 8.2496 115.4148 53.8853 32.2059 171.6453 84 P 4.4483 0.0000 0.0000 64.7125 31.9502 177.2812 85 N 3.1400 6.5036 109.4127 55.1004 39.7217 173.9520 *89 F 3.8997 7.6879 120.0935 57.3198 40.9709 174.3804 90 C 3.7948 8.3778 121.4929 59.7210 27.1179 174.5189 91 D 4.6065 8.7927 122.8650 54.2656 39.2704 176.7237 92 L 4.4297 7.9076 121.0591 56.1114 43.2025 176.9669 93 K 3.8764 7.9066 118.4271 58.3363 32.1544 176.5312 94 G 3.8797 8.9761 114.3047 44.9763 0.0000 172.3343 95 K 4.5613 8.0432 119.1603 54.6703 36.0186 174.0731 96 Y 5.2030 9.0473 117.7610 56.7042 41.1889 175.2251 97 V 4.8573 8.7925 124.6517 61.7627 33.5746 174.3237 98 Q 5.3290 9.2795 127.5001 54.5371 30.5529 175.1929 99 I 4.2304 8.8027 124.2158 58.3042 41.3733 173.2123 100 P 4.6046 0.0000 0.0000 63.4108 31.7542 177.3218 101 T 3.9306 8.8691 121.0881 67.1901 68.5635 176.0119 102 T 4.2228 7.8748 108.1599 63.1625 69.1911 174.2483 103 C 5.2137 8.7620 118.0983 58.1572 29.7903 175.1217 104 A 4.0928 7.5809 122.8811 53.5479 18.1904 178.4007 105 N 4.5839 7.9398 113.7418 54.8123 38.7125 174.6737 106 D 4.8404 8.0354 118.5617 51.3648 42.4747 173.2978 107 P 3.9838 0.0000 0.0000 65.1003 31.6478 178.1886 108 V 4.0460 7.1618 117.9388 65.5355 31.4595 178.1541 109 G 4.1474 8.4116 106.2441 47.1643 0.0000 175.0047 110 F 3.7137 8.1797 122.5944 61.2639 39.5349 176.9210 111 T 3.7905 7.7997 108.9478 64.9053 68.2079 176.1996 112 L 4.0497 7.4668 120.9025 57.2341 41.7623 178.8147 113 R 4.3174 7.8922 115.1269 55.4556 30.3806 175.4435 114 N 4.9932 7.0554 115.6721 51.6097 42.5778 173.2606 115 T 4.9629 8.3653 114.6279 61.9252 72.8130 173.3743 116 V 4.4522 8.1894 123.0348 60.9462 33.5947 175.3870 117 C 4.0281 8.8235 128.4617 57.4694 43.6943 174.9533 118 T 3.7476 8.7667 116.5268 63.7592 69.1804 175.8849 119 V 3.8831 7.8844 121.5386 64.8508 31.9339 175.3175 120 C 4.6092 8.1107 110.7020 54.3122 42.5570 173.8115 121 G 3.8553 8.4732 109.4493 46.7885 0.0000 172.6511 122 M 4.9407 7.5515 117.4238 52.2121 36.2763 175.1832 123 W 5.1037 8.7536 121.1152 57.6318 30.4417 175.4354 124 K 4.4057 9.2903 125.6206 58.1708 31.2395 176.6873 125 G 4.0996 9.3519 114.3979 46.1255 0.0000 173.2253 126 Y 4.8528 9.1220 116.2725 55.7629 38.6917 173.8080 127 G 3.9068 8.5940 117.6150 46.0952 0.0000 172.5513 128 C 3.9591 7.7975 121.0304 59.6535 32.0944 173.3877 129 S 4.0658 8.6041 116.4733 58.8850 62.9445 171.7784 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 8 P 0.00 4.37 0.00 2.06 2.09 0.00 3.65 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 1.93 2.10 0.00 9 A 8.28 4.13 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 10 N 8.87 4.50 0.00 2.72 2.82 0.00 0.00 7.16 7.57 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 11 S 8.09 4.17 0.00 3.87 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 T 7.59 4.04 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 1.25 0.00 0.00 13 V 7.57 3.47 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 0.73 0.00 0.00 0.01 0.00 0.00 14 L 8.22 3.83 0.00 1.70 1.62 0.85 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.72 4.29 0.00 4.02 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 0.00 16 F 7.69 4.64 0.00 2.98 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 17 C 7.79 3.75 0.00 2.76 2.65 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 18 A 7.84 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.48 4.32 0.00 3.04 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 20 A 7.49 4.14 1.05 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 21 V 8.50 3.40 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.51 4.68 0.00 2.46 2.47 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 23 P 0.00 4.12 0.00 1.93 1.87 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 24 A 7.96 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.01 3.85 0.00 1.92 1.96 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.66 1.48 7.81 26 A 7.91 4.03 0.97 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 27 Y 8.05 4.32 0.00 2.92 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 28 K 8.05 3.83 0.00 2.05 1.95 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.42 7.81 29 D 8.55 4.39 0.00 3.00 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 30 Y 8.57 4.09 0.00 3.33 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 31 L 7.93 3.85 0.00 1.68 1.52 0.52 0.76 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 32 A 7.61 3.97 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 33 S 7.48 4.48 0.00 3.85 3.78 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 34 G 8.39 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 35 G 7.24 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 0.00 0.00 0.00 36 Q 8.33 4.19 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 37 P 0.00 4.65 0.00 2.25 2.29 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 38 I 8.48 3.88 1.75 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.81 0.00 0.00 39 T 9.47 4.57 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 1.30 0.00 0.00 40 N 8.81 4.43 0.00 2.90 3.16 0.00 0.00 6.81 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 41 C 7.93 4.72 0.00 3.31 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 42 V 8.21 3.87 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 0.86 0.00 0.00 1.03 0.00 0.00 43 K 8.35 4.51 0.00 1.32 1.47 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.53 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.02 0.78 7.81 44 M 8.55 4.25 0.00 1.82 1.89 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 2.68 2.78 0.00 45 L 8.31 4.44 0.00 1.51 1.52 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.63 4.77 0.00 2.99 2.87 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 47 T 8.29 3.80 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 1.19 0.00 0.00 48 H 7.77 4.17 0.00 3.17 3.42 0.00 5.55 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.61 4.87 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 1.29 0.00 0.00 50 G 7.83 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 0.00 0.00 0.00 51 T 8.23 3.79 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 1.27 0.00 0.00 52 G 8.60 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 0.00 0.00 0.00 0.00 53 Q 7.54 4.16 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 54 A 8.63 3.81 -0.18 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 55 I 7.37 5.11 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.41 0.91 0.00 0.00 56 T 9.23 4.83 4.35 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 1.22 0.00 0.00 57 V 8.62 4.17 2.15 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 0.77 0.00 0.00 0.97 0.00 0.00 58 T 7.54 4.54 4.12 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 1.23 0.00 0.00 59 P 0.00 4.00 0.00 1.81 1.83 0.00 3.22 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 0.00 60 E 10.45 4.65 0.00 1.80 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 2.51 2.36 0.00 61 A 7.59 4.51 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 62 N 8.30 5.57 0.00 2.97 3.17 0.00 0.00 6.75 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 63 M 8.58 4.20 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 64 D 8.74 4.69 0.00 2.89 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 65 Q 8.17 5.14 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 66 E 8.99 5.05 0.00 2.12 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 2.28 2.51 0.00 67 S 8.47 5.39 0.00 3.68 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 68 F 9.58 5.32 0.00 2.96 3.01 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 69 G 8.93 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 70 G 9.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.23 4.14 1.33 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 72 S 7.74 4.39 0.00 4.01 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 73 C 9.48 4.56 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 74 C 7.99 4.73 0.00 3.10 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 75 L 8.46 3.49 0.00 1.46 1.22 0.38 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.56 3.73 0.00 2.82 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 77 C 8.21 4.37 0.00 3.12 3.16 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 78 R 7.91 3.73 0.00 1.83 1.81 0.00 3.21 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 79 C 7.70 4.10 0.00 2.71 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 80 H 7.41 3.97 0.00 3.29 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.54 4.53 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.59 0.71 0.00 0.00 82 D 8.23 4.67 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.39 0.00 2.83 2.86 0.00 5.88 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.45 0.00 2.05 2.00 0.00 2.75 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 85 N 6.50 3.14 0.00 2.72 2.67 0.00 0.00 6.89 7.45 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 *89 F 7.69 3.90 0.00 2.85 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 90 C 8.38 3.79 0.00 3.06 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 91 D 8.79 4.61 0.00 2.80 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 92 L 7.91 4.43 0.00 1.79 1.77 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 93 K 7.91 3.88 0.00 1.76 1.95 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.50 7.81 94 G 8.98 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 95 K 8.04 4.56 0.00 1.75 1.90 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.35 7.81 96 Y 9.05 5.20 0.00 2.94 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 97 V 8.79 4.86 2.28 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 1.41 0.00 0.00 1.08 0.00 0.00 98 Q 9.28 5.33 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.37 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 99 I 8.80 4.23 1.66 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.99 0.08 0.00 0.00 100 P 0.00 4.60 0.00 1.87 2.10 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 2.13 0.00 101 T 8.87 3.93 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 T 7.87 4.22 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 103 C 8.76 5.21 0.00 2.53 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 0.00 104 A 7.58 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.94 4.58 0.00 2.98 3.10 0.00 0.00 5.61 8.07 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 0.00 106 D 8.04 4.84 0.00 2.76 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 0.00 107 P 0.00 3.98 0.00 1.80 1.23 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 108 V 7.16 4.05 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 1.02 0.00 0.00 0.83 0.00 0.00 109 G 8.41 4.15 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 0.00 0.00 0.00 110 F 8.18 3.71 0.00 2.91 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 0.00 111 T 7.80 3.79 4.45 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 1.50 0.00 0.00 112 L 7.47 4.05 0.00 1.82 1.80 1.03 0.97 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 0.00 113 R 7.89 4.32 0.00 1.57 1.79 0.00 3.02 0.00 0.00 3.15 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 114 N 7.06 4.99 0.00 1.44 2.28 0.00 0.00 6.70 7.63 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 0.00 115 T 8.37 4.96 4.36 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 1.28 0.00 0.00 116 V 8.19 4.45 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 0.50 0.00 0.00 0.24 0.00 0.00 117 C 8.82 4.03 0.00 3.31 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 0.00 118 T 8.77 3.75 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 0.00 119 V 7.88 3.88 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 0.85 0.00 0.00 0.93 0.00 0.00 120 C 8.11 4.61 0.00 3.11 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 0.00 121 G 8.47 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 0.00 122 M 7.55 4.94 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.51 0.00 123 W 8.75 5.10 0.00 3.57 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 0.00 124 K 9.29 4.41 0.00 1.76 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.48 7.81 125 G 9.35 4.10 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 0.00 0.00 0.00 126 Y 9.12 4.85 0.00 3.13 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 0.00 128 C 7.80 3.96 0.00 3.18 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 0.00 129 S 8.60 4.07 0.00 4.04 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 * Residues marked with a * may have inaccurate shift predictions.