NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1873 8.1400 114.6855 58.2175 64.5823 175.2898 2 V 3.5987 7.6697 119.1798 64.5977 31.2962 172.6722 3 V 3.5537 8.4392 119.2375 65.9361 32.0008 176.8712 4 E 3.9937 8.0209 117.7126 59.5779 29.3597 179.0800 5 L 4.0828 8.1803 120.1268 58.1166 42.0302 179.2058 6 G 3.6910 8.1395 105.6398 47.7664 0.0000 175.8312 7 K 4.0527 8.6569 121.4437 59.4845 32.0536 179.1812 8 M 3.9982 8.4118 119.3372 58.6498 31.8588 178.6505 9 I 3.6403 7.8089 119.5649 64.6548 37.2906 178.4515 10 I 4.0867 7.5838 121.5218 63.9264 36.7614 178.5599 11 Q 4.0193 7.9029 117.7268 59.2457 28.7055 178.6314 12 E 4.1371 8.3652 118.5542 58.7892 29.6275 178.5258 13 T 4.4568 8.4867 107.7731 60.7727 70.5987 175.7456 14 G 3.7831 8.5052 110.1296 45.7169 0.0000 172.9983 *16 K 4.6206 7.5126 117.8925 55.9056 33.5440 175.0001 17 S 4.3295 8.5279 118.0035 57.5383 63.0531 172.5944 18 P 4.4030 0.0000 0.0000 65.4772 31.0132 175.4376 19 F 4.8749 8.2045 120.2482 55.4622 40.5896 172.9791 20 P 4.0625 0.0000 0.0000 61.5862 31.4119 176.5648 21 S 4.1285 7.6548 115.9585 61.3443 62.9923 174.5049 22 Y 5.0072 8.6179 115.2502 57.3612 39.7288 176.8226 23 T 4.3537 8.0279 110.3281 63.7270 68.9856 176.3053 24 S 4.6801 7.7802 114.8912 59.2284 64.3829 173.2092 25 Y 4.6871 7.4508 120.9781 58.6398 39.6333 177.0699 26 G 3.4599 7.4173 113.4220 47.1656 0.0000 173.8356 27 C 4.4769 9.6194 116.0928 57.5640 35.8680 174.4237 28 F 4.5959 8.5556 116.8752 57.3971 40.3118 175.4918 29 C 4.3561 7.9028 118.9493 60.8309 28.3392 173.9377 30 G 3.9875 8.6305 110.3680 46.3356 0.0000 173.2668 31 G 3.8929 7.5750 105.3381 44.4722 0.0000 172.6371 32 G 4.2279 7.9512 104.3647 43.5231 0.0000 173.6578 33 E 4.9967 8.8242 116.8475 55.4438 31.7385 174.8427 34 R 4.9786 8.0608 119.2535 53.7045 32.8858 175.0088 35 G 4.3388 8.6734 110.0508 45.5543 0.0000 172.3412 36 P 5.0498 0.0000 0.0000 61.3258 32.0476 174.3422 37 P 4.8252 0.0000 0.0000 62.7815 31.7817 177.0887 38 L 3.9534 8.6253 121.7014 57.4286 42.3515 176.2748 39 D 4.4955 7.4962 115.0465 51.7843 41.5434 174.7655 40 A 3.9583 8.9635 120.2030 56.3164 18.5125 179.3939 41 T 3.9122 8.0311 113.2535 67.1253 68.4872 175.9064 42 D 4.5341 8.7586 119.5587 57.6619 41.2014 178.6166 43 R 3.8639 7.9443 118.2610 59.0147 29.8918 178.5387 44 C 3.9196 7.8081 116.3719 63.2497 28.1921 176.0342 45 C 4.0369 7.9670 117.3800 62.5798 27.6806 175.7017 46 L 3.6082 7.6029 121.2256 58.1958 41.6331 178.8646 47 A 3.8907 8.2618 120.8741 55.4040 18.1730 179.1862 48 H 3.9885 8.2508 116.9646 59.4730 29.9609 177.6938 49 S 3.9675 8.4274 117.2966 61.6914 62.3861 176.5192 50 C 4.1123 8.1016 118.9708 62.7570 28.1279 175.2552 51 C 4.2025 7.9110 120.2458 62.8796 31.0666 175.1596 52 Y 4.3122 7.9463 118.1279 61.4447 37.2718 178.5164 53 D 4.4898 7.9700 118.4305 56.7613 40.9138 177.8351 54 T 4.4067 7.6443 108.8691 61.4115 70.0446 174.6979 55 L 4.9856 7.8785 120.6627 53.6063 42.2692 175.6017 56 P 4.2176 0.0000 0.0000 65.4592 32.2229 177.9698 *59 D 4.8021 7.8763 116.5259 53.3291 41.3249 174.4140 *61 C 5.1587 7.3886 116.5672 60.3676 29.9431 173.0257 *67 S 4.8278 8.2608 112.6372 57.6828 62.9496 172.6451 68 P 3.9873 0.0000 0.0000 65.7245 31.1323 178.9653 69 K 4.2591 7.8064 117.0061 58.3562 32.4252 177.4665 70 T 4.3262 7.7289 106.7610 62.8926 70.3112 174.3046 71 D 4.2701 8.2340 120.7050 54.3128 41.3551 176.5780 72 R 4.4784 8.4038 125.3451 56.0616 31.2641 174.7785 73 Y 4.6964 7.1857 116.5761 56.7285 40.1340 172.6784 74 K 4.9761 8.9541 118.2913 55.2368 36.7430 175.0539 75 Y 5.3636 8.0608 118.1383 56.1858 41.1676 173.6934 76 K 4.6739 9.2986 118.6894 54.6440 36.7827 175.9034 77 R 5.5692 8.5671 119.9528 53.9060 32.4233 174.7852 78 E 4.4850 8.6315 125.2294 55.2095 31.5853 175.1755 79 N 3.8788 10.1731 123.2184 54.5307 37.5142 174.4023 80 G 3.9587 8.7415 101.8034 44.3926 0.0000 172.9970 81 E 4.8022 8.1305 120.0211 54.0670 33.3199 174.5507 82 I 4.7784 8.2335 123.9649 60.4844 38.6382 175.5932 83 I 4.4437 9.3659 128.8727 59.4654 38.9911 175.0702 84 C 4.7950 8.7218 124.8853 59.7009 28.9092 173.4809 85 E 4.5114 8.1714 119.8000 55.1860 31.3409 175.4410 86 N 5.0605 8.3415 114.2924 52.8904 40.1087 175.9303 87 S 4.3108 8.5959 115.6718 61.1200 62.8526 174.5671 88 T 4.7325 7.4393 109.2923 58.7300 72.0857 174.5660 89 S 3.9074 8.5886 116.4855 61.6751 62.7787 175.6621 *91 C 4.4382 7.9003 116.5910 59.6891 30.1464 175.8765 92 K 3.7828 7.7993 118.3689 59.5983 31.6436 179.3206 93 K 3.9359 7.6421 119.6063 59.4555 32.0021 179.2243 94 R 3.8528 8.0175 117.3548 59.1915 30.2139 178.7780 95 I 3.7525 8.1443 119.8279 64.6421 37.0630 177.7984 96 C 3.4526 7.2131 118.7823 62.6643 31.2324 175.6347 97 E 3.9256 8.0172 119.4293 59.0163 28.9334 179.2720 98 C 4.1232 8.1610 117.4348 62.9238 28.3507 175.6041 99 D 4.4149 8.1571 119.9651 57.2439 40.4116 178.6362 100 K 3.7872 8.3183 120.0716 59.3845 32.1811 178.4334 101 A 3.9617 7.8444 121.1398 55.3880 18.2255 180.0804 102 V 3.5350 7.7660 117.2256 64.6903 31.4700 178.4844 103 A 3.8164 7.9060 121.4942 54.8302 18.1109 179.8476 104 V 3.4544 8.0843 117.2119 66.0774 31.4017 177.6557 105 C 3.9678 8.1047 117.7153 62.4897 31.6584 175.1915 106 L 3.9789 8.0066 120.7023 57.8404 41.3408 179.3617 107 R 3.8343 7.7521 118.3242 59.5731 29.7896 178.3717 108 K 4.0078 8.1727 117.9802 58.5911 32.2863 176.8571 109 N 5.4158 7.5960 114.5781 52.1096 39.2237 176.4837 110 L 4.2301 7.9482 121.2940 57.3289 41.8479 178.8870 111 N 4.5993 8.2693 115.8616 54.8148 37.3212 175.8703 112 T 4.7025 7.9185 106.9499 60.8297 69.9393 173.2426 113 Y 3.9751 7.8826 123.7292 58.4208 39.2456 174.8386 114 N 4.7707 8.9345 126.1516 51.5310 40.2761 175.3225 115 K 4.3605 8.4684 124.1770 57.6875 32.3961 177.7995 116 K 4.2381 8.2859 117.8286 57.2550 32.5068 176.8329 117 Y 4.6395 7.2688 116.0687 57.8535 38.9945 177.6179 118 T 3.5439 7.6232 117.3244 66.0285 68.5325 172.5781 119 Y 4.7575 7.4248 118.2391 56.2880 40.1500 174.5833 120 Y 4.4733 8.0637 125.7362 54.5424 41.4755 173.5760 121 P 3.9401 0.0000 0.0000 62.6307 31.7535 177.4125 122 N 4.1905 8.8512 122.5817 55.9230 38.7875 176.6738 *124 F 4.8925 7.8628 110.6584 56.0458 39.5722 175.5362 125 W 4.0994 7.2977 120.2482 58.1523 29.1317 175.8838 126 C 4.6171 7.9555 116.3532 56.0793 38.4815 173.3530 127 K 4.2599 8.3678 122.8666 55.6497 32.6543 176.9450 128 G 4.0026 8.0855 107.3430 46.3162 0.0000 173.2507 129 D 4.7578 8.5498 119.4402 53.5947 41.8523 176.6243 130 I 3.8927 8.5328 121.6910 61.9344 37.5559 175.8337 131 E 3.9516 9.3385 127.7531 56.4563 29.8531 176.5467 132 K 4.4318 8.3334 124.0214 54.4143 33.4376 175.6080 133 C 4.2453 8.7349 123.1340 60.2635 27.9800 173.8133 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 S 8.14 5.19 0.00 4.32 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 2 V 7.67 3.60 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 0.98 0.00 0.00 1.00 0.00 0.00 3 V 8.44 3.55 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 0.86 0.00 0.00 0.92 0.00 0.00 4 E 8.02 3.99 0.00 1.87 1.90 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 1.47 2.09 0.00 5 L 8.18 4.08 0.00 2.10 1.86 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.14 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 7 K 8.66 4.05 0.00 2.10 2.03 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.71 7.81 8 M 8.41 4.00 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 1.89 0.00 9 I 7.81 3.64 2.09 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.78 1.01 0.00 0.00 10 I 7.58 4.09 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.95 0.96 0.00 0.00 11 Q 7.90 4.02 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 12 E 8.37 4.14 0.00 1.94 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 2.49 2.40 0.00 13 T 8.49 4.46 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 14 G 8.51 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 0.00 0.00 0.00 *16 K 7.51 4.62 0.00 1.77 1.53 0.00 1.32 0.00 0.00 0.75 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.19 7.81 17 S 8.53 4.33 0.00 3.90 3.81 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 18 P 0.00 4.40 0.00 2.40 2.46 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 19 F 8.20 4.87 0.00 3.10 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 20 P 0.00 4.06 0.00 2.15 1.08 0.00 3.34 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 21 S 7.65 4.13 0.00 3.80 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.62 5.01 0.00 3.13 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 23 T 8.03 4.35 4.50 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 1.55 0.00 0.00 24 S 7.78 4.68 0.00 4.05 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 25 Y 7.45 4.69 0.00 3.17 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 26 G 7.42 3.46 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 0.00 27 C 9.62 4.48 0.00 2.31 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 28 F 8.56 4.60 0.00 3.39 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 29 C 7.90 4.36 0.00 3.33 3.32 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 30 G 8.63 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 31 G 7.57 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 32 G 7.95 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 0.00 0.00 0.00 0.00 33 E 8.82 5.00 0.00 2.10 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 2.29 2.36 0.00 34 R 8.06 4.98 0.00 1.63 1.93 0.00 3.17 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 35 G 8.67 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 0.00 0.00 0.00 0.00 36 P 0.00 5.05 0.00 2.23 2.13 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 37 P 0.00 4.83 0.00 2.10 2.11 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 38 L 8.63 3.95 0.00 1.05 0.74 -1.25 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.50 4.50 0.00 2.96 2.92 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 40 A 8.96 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.03 3.91 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 0.73 0.00 0.00 42 D 8.76 4.53 0.00 3.10 2.86 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 43 R 7.94 3.86 0.00 2.07 1.89 0.00 3.16 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 44 C 7.81 3.92 0.00 2.94 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 45 C 7.97 4.04 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.60 3.61 0.00 0.67 1.47 0.30 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.26 3.89 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 48 H 8.25 3.99 0.00 3.19 3.30 0.00 5.79 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 49 S 8.43 3.97 0.00 3.96 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 50 C 8.10 4.11 0.00 3.02 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 51 C 7.91 4.20 0.00 3.14 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 52 Y 7.95 4.31 0.00 3.15 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 53 D 7.97 4.49 0.00 2.90 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 54 T 7.64 4.41 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 1.23 0.00 0.00 55 L 7.88 4.99 0.00 1.59 1.57 0.86 1.05 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 56 P 0.00 4.22 0.00 2.21 2.31 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 *59 D 7.88 4.80 0.00 2.86 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 *61 C 7.39 5.16 0.00 2.94 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 *67 S 8.26 4.83 0.00 3.88 3.84 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 68 P 0.00 3.99 0.00 0.49 1.49 0.00 3.67 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 69 K 7.81 4.26 0.00 1.80 2.00 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.26 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.75 1.56 7.81 70 T 7.73 4.33 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 1.22 0.00 0.00 71 D 8.23 4.27 0.00 2.72 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 72 R 8.40 4.48 0.00 1.85 1.80 0.00 3.60 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 73 Y 7.19 4.70 0.00 3.18 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 74 K 8.95 4.98 0.00 1.77 1.67 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 75 Y 8.06 5.36 0.00 3.10 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 76 K 9.30 4.67 0.00 1.68 1.70 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.54 7.81 77 R 8.57 5.57 0.00 1.70 1.92 0.00 3.67 0.00 0.00 3.90 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 78 E 8.63 4.48 0.00 1.98 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 2.26 0.00 79 N 10.17 3.88 0.00 2.86 2.84 0.00 0.00 7.42 7.98 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 80 G 8.74 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 81 E 8.13 4.80 0.00 2.05 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 82 I 8.23 4.78 1.82 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 1.28 0.68 0.76 0.00 0.00 83 I 9.37 4.44 2.02 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 1.29 1.15 0.95 0.00 0.00 84 C 8.72 4.79 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.17 4.51 0.00 2.09 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 2.73 2.32 0.00 86 N 8.34 5.06 0.00 2.66 2.80 0.00 0.00 6.89 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 87 S 8.60 4.31 0.00 4.00 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 88 T 7.44 4.73 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 1.22 0.00 0.00 89 S 8.59 3.91 0.00 3.86 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 *91 C 7.90 4.44 0.00 3.03 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 92 K 7.80 3.78 0.00 1.92 1.96 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.36 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.51 7.81 93 K 7.64 3.94 0.00 1.93 1.93 0.00 1.47 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.47 7.81 94 R 8.02 3.85 0.00 1.73 1.93 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 95 I 8.14 3.75 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.26 0.88 0.00 0.00 96 C 7.21 3.45 0.00 1.96 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 97 E 8.02 3.93 0.00 2.16 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 0.00 2.48 2.45 0.00 98 C 8.16 4.12 0.00 3.38 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 99 D 8.16 4.41 0.00 2.92 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 0.00 100 K 8.32 3.79 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.39 7.81 101 A 7.84 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.77 3.53 1.93 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 0.71 0.00 0.00 0.75 0.00 0.00 103 A 7.91 3.82 1.29 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 0.00 0.00 0.00 104 V 8.08 3.45 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 1.04 0.00 0.00 0.93 0.00 0.00 105 C 8.10 3.97 0.00 3.07 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 0.00 106 L 8.01 3.98 0.00 1.61 1.38 0.13 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.75 3.83 0.00 2.02 2.03 0.00 3.09 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 108 K 8.17 4.01 0.00 1.96 1.93 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 109 N 7.60 5.42 0.00 2.78 2.78 0.00 0.00 7.01 6.77 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 0.00 110 L 7.95 4.23 0.00 1.76 1.73 0.99 0.34 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 0.00 111 N 8.27 4.60 0.00 2.89 3.09 0.00 0.00 5.78 7.22 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 0.00 112 T 7.92 4.70 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 1.25 0.00 0.00 113 Y 7.88 3.98 0.00 3.01 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 0.00 114 N 8.93 4.77 0.00 2.45 2.10 0.00 0.00 6.80 6.09 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 0.00 115 K 8.47 4.36 0.00 1.80 1.90 0.00 1.90 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.71 1.61 7.81 116 K 8.29 4.24 0.00 1.41 1.79 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.43 7.81 117 Y 7.27 4.64 0.00 2.04 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.62 3.54 3.63 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 0.34 0.00 0.00 119 Y 7.42 4.76 0.00 2.81 2.86 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 0.00 120 Y 8.06 4.47 0.00 2.77 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 3.94 0.00 0.49 1.37 0.00 2.20 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.26 0.00 122 N 8.85 4.19 0.00 2.80 2.86 0.00 0.00 6.84 8.13 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 *124 F 7.86 4.89 0.00 3.21 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 0.00 125 W 7.30 4.10 0.00 2.77 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 0.00 126 C 7.96 4.62 0.00 2.97 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 0.00 127 K 8.37 4.26 0.00 1.73 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.52 1.35 7.81 128 G 8.09 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 0.00 129 D 8.55 4.76 0.00 2.59 2.64 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 0.00 0.00 0.00 0.00 130 I 8.53 3.89 1.91 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 1.39 0.50 0.96 0.00 0.00 131 E 9.34 3.95 0.00 1.98 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 2.80 2.38 0.00 132 K 8.33 4.43 0.00 1.69 1.70 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81 133 C 8.73 4.25 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.