NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Y 4.6145 8.1293 118.3770 57.7771 39.3498 174.6511 4 S 4.2314 8.4967 118.2935 57.6845 64.1010 172.0021 5 H 4.6378 9.3047 121.1044 54.6357 30.2619 175.0237 6 P 4.4117 0.0000 0.0000 64.8716 31.4227 176.8039 7 I 4.5750 7.4833 117.7081 58.6405 40.1067 176.0267 8 S 4.4623 8.5045 120.3019 57.9290 65.1157 175.1533 9 L 3.9779 8.4873 123.0756 57.8296 41.3590 179.5595 10 K 3.9058 8.1741 119.0517 59.9848 32.0897 178.7245 11 T 4.0215 8.1879 115.9306 66.6152 68.1685 176.4372 12 L 3.9708 7.8149 119.6449 58.0079 41.9927 179.5702 13 V 3.7923 8.0845 118.0694 66.1458 31.2615 177.8804 14 Q 4.0377 8.0678 116.7555 59.2324 28.6835 178.6216 15 E 4.1697 8.2924 117.7385 57.7466 30.5293 177.2826 16 D 4.8672 7.7371 119.8756 52.8360 40.4713 177.1883 17 D 4.4297 8.1578 121.0354 56.6707 39.4204 178.2881 18 I 3.8500 7.7094 110.4814 60.9824 38.0180 175.7475 19 G 3.8477 8.1659 109.2728 47.2887 0.0000 174.5630 20 V 4.2838 8.2471 110.1782 60.7297 33.2437 176.3536 21 N 4.7750 9.0127 118.2296 53.3505 38.7741 175.6783 22 A 4.0720 7.9862 123.0065 55.0696 18.2959 178.3573 23 P 4.1902 0.0000 0.0000 65.7845 31.3518 178.9402 24 I 3.6688 7.6003 117.9221 64.4109 37.1925 178.3634 25 I 3.4806 7.6639 120.5934 64.5474 37.0099 177.9000 26 H 3.8547 8.2899 119.3628 59.4675 29.6529 177.3075 27 Q 4.0749 7.9552 119.3229 58.5416 28.4621 178.4383 28 S 4.0103 8.2360 114.7562 61.1839 62.3639 176.2057 29 V 3.5434 7.6723 120.8699 66.1510 31.1836 177.7481 30 I 3.6507 7.5255 118.7582 64.5361 36.9514 178.1703 31 A 3.9478 8.0794 121.2160 55.2711 18.1627 179.9295 32 R 3.9171 8.2914 116.9099 59.3541 30.1581 179.3926 33 L 3.9770 8.1273 118.8486 58.0143 41.7758 179.6897 34 T 3.8230 8.2067 115.7451 66.6730 68.2196 176.6255 35 A 4.0854 8.1670 121.7714 55.0414 18.4329 179.6714 36 G 3.4306 7.9241 103.4887 47.8766 0.0000 175.7993 37 L 3.7294 7.3748 121.3717 56.9425 41.4724 178.8370 38 Y 3.8733 7.7879 119.5185 60.3366 38.7917 176.5598 39 P 4.5760 0.0000 0.0000 64.8022 31.4185 178.5608 40 L 4.0304 7.8301 117.8290 57.7855 41.4602 178.8934 41 Y 4.3273 7.6124 120.3299 60.3201 38.5230 177.5659 42 Q 3.7073 8.2445 119.6026 58.5228 28.5994 178.1332 43 S 4.4536 7.8084 112.0666 57.6311 63.4498 174.5079 44 K 3.8176 7.4804 120.2278 57.4927 29.9002 177.0796 45 K 4.1384 8.1007 121.5153 58.2637 31.8954 177.5333 46 I 4.5095 7.4519 110.9198 58.3500 40.1118 173.9068 47 P 4.5892 0.0000 0.0000 62.8763 31.8393 175.2698 48 F 5.3621 7.5099 117.5128 55.7623 42.0353 174.3111 49 E 2.7093 8.7176 124.3470 54.6299 30.6784 173.7604 50 P 4.9479 0.0000 0.0000 62.4525 32.2772 175.6660 51 L 4.9126 9.0798 125.2019 52.1721 45.0677 174.2833 52 P 4.7115 0.0000 0.0000 62.5829 32.5680 176.0146 53 E 4.1434 8.0908 120.3590 57.0758 28.0536 174.8009 54 T 4.4405 6.9447 120.6046 63.6035 68.8378 178.0771 *56 L 4.2115 8.4673 126.0144 55.9076 43.7357 175.9674 57 T 4.4266 7.6741 110.7457 61.4856 69.6024 171.8674 58 E 4.2362 8.6919 119.4828 56.9166 30.8455 176.7293 59 G 3.8662 8.4359 107.7243 45.1706 0.0000 173.8234 60 Y 4.4236 7.8121 115.4508 59.9204 37.9213 177.7684 61 S 4.3499 7.9667 115.1443 60.3779 63.4147 174.4595 62 S 4.3254 7.7879 116.0119 57.4568 62.5771 172.4023 63 P 4.4181 0.0000 0.0000 62.8083 32.1329 176.5521 64 V 4.6059 8.3898 121.9661 59.1567 32.9964 173.1604 65 P 5.0007 0.0000 0.0000 61.9005 32.6400 176.9925 66 D 4.5073 8.9977 121.0762 57.2473 41.8279 176.9021 67 V 5.0754 8.2989 117.1574 61.0221 35.4221 174.1271 68 L 5.3232 8.9954 125.5894 54.2021 44.9526 174.9593 69 L 5.0826 8.8201 119.4674 53.3410 43.9851 174.9538 70 Y 4.7894 8.8278 126.8005 55.9628 40.9402 174.0405 71 D 5.0082 8.4277 127.6097 53.3776 41.2085 176.6643 72 H 4.2852 8.9714 124.4373 58.5854 29.3257 177.4497 73 Q 4.0986 8.3340 120.5366 59.3029 28.8548 177.1641 74 T 4.0946 7.9673 104.4258 61.4135 69.8200 173.7467 75 E 3.6002 7.8000 120.3133 56.4530 27.4570 173.9971 76 E 4.7574 6.6642 115.6225 54.3592 34.6081 175.9487 77 A 4.4981 8.5889 124.8418 52.1510 19.1670 178.1631 78 K 4.3001 8.9889 122.3679 57.0947 34.2824 176.9350 79 V 5.0689 7.5322 119.2550 60.9285 35.1385 174.2798 80 I 5.1496 8.8757 120.2368 59.2466 41.2884 174.3421 81 I 5.3673 9.0501 124.1773 59.9295 40.9236 174.0297 82 E 5.0684 9.6039 126.9516 54.6092 32.1449 174.9894 83 V 4.7960 9.2636 124.3283 61.4106 33.4973 174.3921 84 C 4.9910 9.1186 121.9187 57.1898 34.0715 172.1426 85 Q 4.4559 7.9198 116.5757 54.2044 31.1110 175.5822 86 N 4.1932 8.6388 115.2259 56.9399 38.1929 177.4344 87 S 4.2807 8.0389 113.8757 60.3631 63.4507 175.4790 88 G 3.9360 7.6378 107.4069 44.3337 0.0000 175.0985 89 L 3.8873 7.5723 123.4371 57.9930 42.1509 178.6394 90 K 3.8600 7.9741 118.9340 59.7619 32.1280 177.7376 91 H 4.0319 8.2238 117.8430 59.7231 29.8057 176.7940 92 D 4.3860 8.4182 120.5591 57.3623 40.4644 178.9531 93 T 3.8671 8.0555 116.5399 66.6877 68.4595 176.6067 94 S 3.9993 8.0335 115.0498 61.0166 62.2978 176.0667 95 K 3.8708 8.1514 122.7114 59.5390 32.1305 178.8806 96 I 3.7290 7.8352 113.4062 63.9021 37.3489 178.3382 97 V 3.1905 7.5807 122.5202 66.2229 31.2430 178.8759 98 K 3.9979 8.1019 123.4676 59.7674 31.3168 180.9069 99 L 4.3549 8.0561 119.4145 57.5692 41.5525 179.2607 100 I 4.1031 7.5963 118.5352 63.5753 37.4578 177.2554 101 E 4.4922 8.4878 117.7624 56.8770 30.4042 176.5603 102 D 4.7666 8.0916 116.1445 53.9952 41.5562 175.2209 103 N 4.8215 7.7114 115.1953 51.4873 43.0586 173.9665 104 A 4.6673 7.6247 119.5825 51.4924 18.5676 176.2321 105 Y 4.5058 7.5943 116.8672 57.6440 39.0562 177.6303 106 G 3.9002 8.2610 107.9636 45.2671 0.0000 173.5292 107 I 4.0641 7.4734 120.1971 60.7049 37.6715 175.6583 108 L 4.4461 8.8857 125.9319 56.3944 43.3804 176.7176 109 E 5.0422 8.0426 116.4976 54.6073 34.2933 174.8579 110 G 4.6559 9.0929 109.5788 44.5690 0.0000 171.4749 111 F 5.5960 9.3351 119.7744 55.4373 43.6824 173.9625 112 V 4.9354 9.0856 122.2132 61.1566 34.1169 173.8125 113 F 4.6717 9.1556 130.9751 56.2785 41.4551 173.6835 114 N 4.7450 8.1806 126.8549 52.3005 39.0163 174.9269 115 Y 3.5884 7.8450 125.9709 58.8030 38.3201 177.2530 116 K 4.0169 7.6421 121.8331 58.8551 32.3184 177.4194 117 T 4.2925 7.6354 105.6759 60.5795 69.8732 173.9925 118 Q 3.3063 7.5406 120.2660 57.1898 27.0186 173.0969 119 Q 4.8815 7.5273 114.7885 54.2195 31.2154 175.0372 120 W 5.5259 8.9975 121.8108 55.1981 32.2780 174.8647 121 L 5.2822 9.4815 122.8877 53.0709 45.2910 175.4857 122 R 4.7585 9.3408 121.9567 54.6092 33.7501 173.3872 123 Y 4.8880 8.9951 125.8856 55.8104 42.3999 173.9898 124 R 4.7151 7.1652 124.5547 53.5661 33.1201 175.3295 125 L 4.1113 8.1202 125.1750 57.2540 42.3113 177.4991 126 G 3.9571 9.7856 114.4366 45.6782 0.0000 173.1479 127 D 4.6449 7.9663 119.0978 53.6800 40.7020 176.9209 128 G 4.1211 8.9508 106.2469 46.8880 0.0000 175.4412 129 G 3.6171 9.0318 107.1608 44.9442 0.0000 174.3288 130 V 4.1061 7.7156 119.4841 61.1831 31.9247 175.2249 131 A 5.0095 8.4877 129.3906 51.6385 20.2422 175.6938 132 T 4.7290 8.8668 109.4059 59.7268 72.8274 173.4008 133 N 5.2900 8.5936 120.6325 50.8190 35.6637 173.7941 134 S 4.8284 8.2247 119.1560 57.4004 66.0932 173.4276 135 S 4.3870 8.6118 119.0795 57.9379 64.2984 172.6394 136 F 4.7219 8.2777 124.4440 57.5777 40.2517 174.7473 137 S 4.8146 8.1450 122.2995 57.1936 62.6485 174.7443 138 E 4.0746 9.3283 128.6944 59.2991 29.7250 178.8703 139 V 3.7871 8.2229 117.6143 65.7655 31.6231 176.7313 140 L 4.2596 7.8886 116.9333 54.5215 42.3153 176.3756 141 Q 3.3976 7.5646 116.8407 56.4212 26.8064 174.0109 142 V 4.2809 6.3373 115.0114 61.0978 35.3205 173.0241 143 D 4.8802 8.5027 126.2727 53.2032 41.1429 176.8789 144 L 3.9580 8.0437 128.6001 57.2229 41.2224 178.8185 145 N 4.5073 7.8206 117.2758 56.0353 38.6019 176.4782 146 T 3.8093 7.1479 109.8745 63.7401 68.8622 175.4665 147 F 4.8335 7.4163 118.7759 58.0996 39.6655 176.0346 148 V 3.9934 7.4799 116.5244 61.3908 31.5334 175.6469 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 3 Y 8.13 4.61 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 4 S 8.50 4.23 0.00 4.09 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 5 H 9.30 4.64 0.00 3.23 3.43 0.00 5.72 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.41 0.00 2.06 2.15 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 7 I 7.48 4.57 1.88 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 1.48 0.62 0.92 0.00 0.00 8 S 8.50 4.46 0.00 4.11 4.04 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 9 L 8.49 3.98 0.00 1.84 1.89 1.19 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.17 3.91 0.00 1.88 1.86 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 11 T 8.19 4.02 4.41 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 1.23 0.00 0.00 12 L 7.81 3.97 0.00 1.77 1.73 0.87 0.79 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 13 V 8.08 3.79 2.14 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 1.07 0.00 0.00 1.19 0.00 0.00 14 Q 8.07 4.04 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 15 E 8.29 4.17 0.00 2.08 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 2.35 2.48 0.00 16 D 7.74 4.87 0.00 2.79 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 17 D 8.16 4.43 0.00 2.82 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 18 I 7.71 3.85 1.87 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 1.35 0.73 0.91 0.00 0.00 19 G 8.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.25 4.28 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 0.75 0.00 0.00 0.93 0.00 0.00 21 N 9.01 4.77 0.00 2.92 2.80 0.00 0.00 7.00 7.46 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 22 A 7.99 4.07 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 23 P 0.00 4.19 0.00 2.15 2.10 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 24 I 7.60 3.67 2.10 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 1.62 0.97 0.87 0.00 0.00 25 I 7.66 3.48 1.45 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 1.30 0.98 0.30 0.00 0.00 26 H 8.29 3.85 0.00 3.22 3.30 0.00 5.58 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 27 Q 7.96 4.07 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 28 S 8.24 4.01 0.00 3.90 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 29 V 7.67 3.54 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.03 0.00 0.00 30 I 7.53 3.65 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.96 0.00 0.00 31 A 8.08 3.95 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 32 R 8.29 3.92 0.00 1.99 2.25 0.00 3.06 0.00 0.00 2.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.86 0.00 33 L 8.13 3.98 0.00 1.83 1.73 1.00 0.85 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 34 T 8.21 3.82 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 1.17 0.00 0.00 35 A 8.17 4.09 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 36 G 7.92 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 0.00 0.00 0.00 37 L 7.37 3.73 0.00 1.62 1.57 0.86 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.79 3.87 0.00 3.33 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 39 P 0.00 4.58 0.00 2.27 2.16 0.00 4.00 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 40 L 7.83 4.03 0.00 1.87 1.74 1.07 0.76 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 41 Y 7.61 4.33 0.00 2.92 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 42 Q 8.24 3.71 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.63 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 43 S 7.81 4.45 0.00 4.01 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 44 K 7.48 3.82 0.00 1.88 1.87 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.25 7.81 45 K 8.10 4.14 0.00 1.88 1.86 0.00 1.65 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.36 7.81 46 I 7.45 4.51 1.83 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.04 0.90 0.00 0.00 47 P 0.00 4.59 0.00 1.64 1.87 0.00 3.10 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.30 0.00 48 F 7.51 5.36 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.72 2.71 0.00 1.36 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 0.00 2.21 1.78 0.00 50 P 0.00 4.95 0.00 2.08 1.97 0.00 3.20 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 51 L 9.08 4.91 0.00 1.46 1.45 0.63 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.71 0.00 2.06 2.02 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 53 E 8.09 4.14 0.00 2.02 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 2.30 2.23 0.00 54 T 6.94 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 1.02 0.00 0.00 *56 L 8.47 4.21 0.00 1.09 1.06 0.38 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.67 4.43 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 1.28 0.00 0.00 58 E 8.69 4.24 0.00 1.99 1.82 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 2.29 2.24 0.00 59 G 8.44 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 0.00 0.00 0.00 60 Y 7.81 4.42 0.00 3.02 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 61 S 7.97 4.35 0.00 3.90 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 62 S 7.79 4.33 0.00 3.95 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 63 P 0.00 4.42 0.00 1.81 1.95 0.00 3.49 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.13 0.00 64 V 8.39 4.61 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 0.93 0.00 0.00 0.97 0.00 0.00 65 P 0.00 5.00 0.00 2.35 2.19 0.00 4.14 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.82 0.00 66 D 9.00 4.51 0.00 2.88 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 67 V 8.30 5.08 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 1.06 0.00 0.00 0.96 0.00 0.00 68 L 9.00 5.32 0.00 1.88 1.71 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.82 5.08 0.00 1.54 1.65 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.83 4.79 0.00 2.91 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 71 D 8.43 5.01 0.00 2.25 2.33 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 72 H 8.97 4.29 0.00 3.33 3.49 0.00 5.76 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 73 Q 8.33 4.10 0.00 2.07 2.34 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 2.40 2.36 0.00 74 T 7.97 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 1.20 0.00 0.00 75 E 7.80 3.60 0.00 2.16 2.16 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 2.32 2.24 0.00 76 E 6.66 4.76 0.00 1.65 1.79 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 2.27 2.43 0.00 77 A 8.59 4.50 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.99 4.30 0.00 0.92 1.48 0.00 1.34 0.00 0.00 1.25 0.00 0.00 2.63 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.36 0.21 7.81 79 V 7.53 5.07 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 1.36 0.00 0.00 1.05 0.00 0.00 80 I 8.88 5.15 1.94 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 1.31 0.90 0.94 0.00 0.00 81 I 9.05 5.37 2.02 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 1.54 1.16 1.18 0.00 0.00 82 E 9.60 5.07 0.00 1.92 2.06 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 2.32 2.43 0.00 83 V 9.26 4.80 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 0.95 0.00 0.00 0.99 0.00 0.00 84 C 9.12 4.99 0.00 2.89 3.19 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 85 Q 7.92 4.46 0.00 1.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 86 N 8.64 4.19 0.00 2.66 2.85 0.00 0.00 6.61 7.34 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 87 S 8.04 4.28 0.00 3.98 3.96 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 88 G 7.64 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 0.00 0.00 0.00 89 L 7.57 3.89 0.00 1.64 1.73 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.97 3.86 0.00 1.85 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.49 7.81 91 H 8.22 4.03 0.00 3.22 3.46 0.00 5.72 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 92 D 8.42 4.39 0.00 2.83 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 93 T 8.06 3.87 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 1.20 0.00 0.00 94 S 8.03 4.00 0.00 3.85 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 95 K 8.15 3.87 0.00 1.83 1.93 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 96 I 7.84 3.73 1.94 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 1.69 0.44 1.04 0.00 0.00 97 V 7.58 3.19 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 0.62 0.00 0.00 0.38 0.00 0.00 98 K 8.10 4.00 0.00 1.81 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 99 L 8.06 4.35 0.00 1.83 1.92 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.60 4.10 2.25 0.00 0.00 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 1.62 0.66 1.09 0.00 0.00 101 E 8.49 4.49 0.00 1.97 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 2.44 2.54 0.00 102 D 8.09 4.77 0.00 2.78 2.66 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 0.00 0.00 0.00 0.00 103 N 7.71 4.82 0.00 2.62 1.72 0.00 0.00 6.74 7.35 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 0.00 104 A 7.62 4.67 1.11 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 0.00 105 Y 7.59 4.51 0.00 3.01 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 0.00 106 G 8.26 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.47 4.06 1.96 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 1.50 1.13 1.03 0.00 0.00 108 L 8.89 4.45 0.00 1.69 1.68 0.93 0.97 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 0.00 109 E 8.04 5.04 0.00 1.92 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 2.20 2.29 0.00 110 G 9.09 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 9.34 5.60 0.00 3.36 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 V 9.09 4.94 2.17 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 1.01 0.00 0.00 1.01 0.00 0.00 113 F 9.16 4.67 0.00 1.51 2.42 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 0.00 114 N 8.18 4.74 0.00 2.52 2.34 0.00 0.00 6.53 7.52 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 0.00 115 Y 7.84 3.59 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 4.02 0.00 1.39 1.78 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.33 7.81 117 T 7.64 4.29 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 1.12 0.00 0.00 118 Q 7.54 3.31 0.00 2.29 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 119 Q 7.53 4.88 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.46 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 120 W 9.00 5.53 0.00 3.44 3.48 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 0.00 121 L 9.48 5.28 0.00 1.67 1.63 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 122 R 9.34 4.76 0.00 2.02 1.70 0.00 3.01 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.50 0.00 123 Y 9.00 4.89 0.00 3.04 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 0.00 124 R 7.17 4.72 0.00 1.62 1.58 0.00 3.26 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.37 0.00 125 L 8.12 4.11 0.00 1.57 1.56 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.79 3.96 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 0.00 0.00 0.00 127 D 7.97 4.64 0.00 2.48 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 0.00 128 G 8.95 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 0.00 0.00 0.00 0.00 129 G 9.03 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 0.00 130 V 7.72 4.11 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 0.85 0.00 0.00 1.04 0.00 0.00 131 A 8.49 5.01 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 0.00 132 T 8.87 4.73 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 1.25 0.00 0.00 133 N 8.59 5.29 0.00 2.86 2.98 0.00 0.00 6.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.22 4.83 0.00 3.90 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 0.00 135 S 8.61 4.39 0.00 2.72 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 0.00 136 F 8.28 4.72 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 0.00 137 S 8.15 4.81 0.00 3.79 3.55 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 0.00 138 E 9.33 4.07 0.00 2.15 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 2.62 2.44 0.00 139 V 8.22 3.79 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 1.02 0.00 0.00 0.98 0.00 0.00 140 L 7.89 4.26 0.00 1.59 1.68 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.56 3.40 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 142 V 6.34 4.28 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 1.15 0.00 0.00 1.04 0.00 0.00 143 D 8.50 4.88 0.00 2.82 2.43 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 0.00 144 L 8.04 3.96 0.00 0.33 1.12 -0.32 0.54 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 0.00 145 N 7.82 4.51 0.00 2.45 2.74 0.00 0.00 6.78 6.97 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 0.00 146 T 7.15 3.81 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 1.02 0.00 0.00 147 F 7.42 4.83 0.00 3.11 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 7.48 3.99 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 0.50 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.