NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4453 8.2893 118.1967 55.4076 32.2782 175.2537 2 I 4.2304 7.2535 111.3731 58.3403 40.2390 173.8130 3 P 4.5697 0.0000 0.0000 62.3891 33.8179 176.3640 4 V 4.9248 8.0773 119.5807 61.2879 34.7247 174.4334 5 V 4.4926 8.6133 126.7768 61.1807 34.1373 174.4510 6 I 4.7184 8.4141 128.0681 61.0042 37.9211 175.2462 7 E 4.3884 8.9362 122.4668 58.0516 32.8722 177.3173 *14 R 4.2038 7.7954 115.2675 55.5727 32.7605 175.2779 15 S 5.1352 7.7412 114.2735 56.6683 61.4836 172.5618 16 Y 4.3589 8.7267 122.2714 57.2436 39.3103 174.9968 17 D 5.0943 8.6545 121.8486 52.1214 41.5887 177.1708 18 I 3.5323 8.0836 119.9747 64.5315 37.7013 177.8379 19 Y 4.3217 7.7165 117.1607 61.0352 37.6529 177.9727 20 S 4.3422 8.8981 115.8401 61.3920 63.0698 176.4614 21 R 3.7223 8.4240 121.9289 59.3868 29.9053 178.6431 22 L 4.0169 7.8532 118.2266 57.5501 41.4508 179.2524 23 L 4.3629 7.9093 121.8393 57.4179 41.7574 178.9414 24 K 3.9280 7.6699 118.1007 59.5143 32.0870 177.1914 25 D 4.7460 7.9955 115.7867 53.8242 40.9258 176.1733 26 R 3.9998 8.1818 117.5466 57.6086 28.2273 175.4149 27 I 5.2174 7.8824 117.8111 60.1961 39.8487 175.6089 28 I 4.8190 8.3902 127.6211 59.6041 41.5169 173.9919 *30 L 4.4167 8.3981 124.9249 56.2718 42.8047 177.0907 31 T 5.5489 7.3784 120.7605 61.2966 72.5797 175.7124 32 G 3.9277 8.5756 112.3927 44.0848 0.0000 171.4216 33 P 4.5527 0.0000 0.0000 62.6534 32.3202 176.9898 34 V 4.1856 8.6919 117.9157 60.6739 32.5464 175.1932 35 E 4.9052 8.5448 122.4282 54.8026 32.8274 175.0595 36 D 4.5512 9.0961 119.4558 58.0403 40.5670 179.6820 37 N 4.3801 8.2710 111.3048 54.4388 38.2862 176.6056 *39 A 4.2924 8.0132 123.7064 52.3755 20.6949 179.4691 40 N 4.4858 8.5265 113.1885 55.7025 38.4291 177.7564 41 S 4.0691 7.7315 114.7050 61.3179 62.6308 176.0317 42 V 3.6335 7.7844 120.4433 66.0999 31.1465 177.8771 43 I 3.7192 7.7800 119.0250 64.4548 37.0121 178.1807 44 A 4.1021 7.9043 121.1502 55.4374 18.0395 179.7627 45 Q 4.1694 8.2921 116.5260 59.0656 28.7051 178.9020 46 L 4.0256 8.0585 120.0842 57.8543 41.7853 179.5706 47 L 4.0428 8.4515 119.4301 57.5780 41.3767 179.4525 48 F 4.2899 8.3548 120.7288 61.4157 39.3199 177.3356 49 L 3.5296 8.1767 118.9018 57.5779 41.1201 179.0494 50 D 4.2048 8.1401 117.3409 57.2066 41.2378 177.8662 51 A 4.0825 7.5820 119.9075 55.0472 18.3670 179.3896 52 Q 4.0779 7.2701 116.0210 57.6668 28.8625 176.6860 53 D 4.2534 7.0823 115.3562 53.8530 44.4957 175.3948 54 S 4.4963 8.4781 123.1246 60.0362 63.5286 176.0914 55 T 4.1112 8.0831 109.8908 62.9016 69.2330 175.0776 56 K 4.4477 7.7991 121.1981 55.1256 33.2421 176.6855 57 D 4.5654 8.6267 123.8627 54.5206 41.9232 175.5247 58 I 4.2775 8.2944 122.5706 59.7846 40.0429 174.3327 59 Y 4.8256 8.5250 124.4520 56.4519 39.9013 174.7541 60 L 5.0745 8.8493 128.8850 53.5056 43.5835 174.9256 61 Y 4.8031 8.8007 125.0629 57.6511 38.6785 175.7727 62 V 4.4566 9.1483 123.0974 61.4659 34.9541 173.9822 63 N 5.0336 9.6966 127.6787 52.4823 40.8352 172.2551 64 T 5.1727 8.0167 118.1418 59.7330 70.8800 172.1862 65 P 4.4860 0.0000 0.0000 63.7111 32.7931 176.4930 66 G 4.1713 6.9278 104.3212 45.7311 0.0000 168.9597 67 G 4.0781 8.2881 110.4469 43.9101 0.0000 175.1958 68 S 4.1580 9.2087 122.0060 57.9246 62.9475 175.0909 69 V 3.5536 8.5350 127.2440 66.0403 31.3043 177.7431 70 S 4.0509 8.1369 112.2192 61.6715 61.6588 176.0009 71 A 4.0978 8.1022 123.2900 55.1249 18.1551 179.8905 72 G 3.5636 8.0095 103.8368 47.7713 0.0000 175.7863 73 L 4.1785 8.3151 120.5006 56.6775 41.5358 179.0097 74 A 4.1339 7.6740 121.2628 54.4635 18.1318 179.8096 75 I 3.6939 7.1084 117.2746 64.4715 37.4061 178.0522 76 V 3.7658 7.4125 117.5702 66.4676 31.5927 177.5373 77 D 4.6033 8.0027 117.8237 57.3951 40.5981 179.0934 78 T 4.3441 7.6595 114.9430 64.1162 68.2774 176.1506 *80 N 4.7023 8.1479 120.4238 53.3851 40.7301 175.9794 81 F 4.4773 8.8561 120.1837 60.8975 39.6486 175.8103 82 I 3.5741 7.3045 112.8105 60.1526 38.1606 176.2520 83 K 3.9223 8.3279 121.9914 59.2460 32.2416 178.0010 84 A 4.4323 7.4012 120.0852 51.5635 18.7253 177.6460 85 D 4.3426 8.7744 122.5738 54.4377 42.6230 175.8111 86 V 4.5094 8.2086 122.4989 61.0553 33.2180 174.5004 87 Q 4.7906 8.7220 127.8907 55.9221 30.2806 175.4767 88 T 5.0968 8.6888 111.8994 59.9850 72.0438 172.6411 89 I 4.9158 8.7345 126.6646 59.6051 39.5520 175.5879 90 V 4.5844 7.9435 127.6071 61.6110 32.8703 175.9391 *92 G 3.9529 8.6782 109.1258 45.9092 0.0000 172.3750 *94 A 4.7020 7.6706 123.2813 51.0546 19.9719 174.7186 95 A 4.3951 8.2802 123.1851 50.4588 21.7071 176.1550 96 S 4.1915 7.9267 108.7459 59.4127 64.2837 174.6102 *98 G 3.8112 7.7911 107.7937 45.3064 0.0000 174.8097 99 T 3.5475 7.4380 110.6216 64.2115 68.5029 176.9926 100 V 3.5272 7.5411 119.8335 65.7975 31.6103 177.7819 101 I 3.8753 7.5649 118.6579 64.4030 37.1069 178.0991 102 A 4.0653 7.9853 121.5908 55.3400 17.9877 179.8606 103 S 4.4584 8.3622 113.2097 61.6240 62.9351 176.1203 104 S 4.7012 7.5056 115.5159 57.7932 62.7899 174.3046 105 G 3.9864 7.1991 109.8950 45.9232 0.0000 173.6312 106 A 4.2853 8.5155 122.3526 51.2281 19.5403 177.2648 107 K 3.9864 8.5978 123.2760 58.2983 32.1599 176.9334 108 G 4.0144 9.6325 116.2379 45.0266 0.0000 173.8184 109 K 4.2569 7.8528 119.5795 56.1789 33.0548 175.9160 110 R 4.6230 7.6092 118.6540 55.0592 32.6398 174.7527 111 F 5.8629 8.7279 126.8823 55.1871 42.7079 174.8817 *113 L 4.3483 8.2861 117.8399 54.8728 42.6738 176.4273 114 P 4.2509 0.0000 0.0000 65.4698 31.3522 176.9991 115 N 4.7447 7.9581 111.4565 52.7527 39.3728 174.6275 116 A 5.0752 7.6665 120.2883 51.8276 19.2550 176.7799 117 E 4.9680 8.7300 117.2165 54.9980 33.8314 174.3333 118 Y 5.3293 8.8639 122.2327 54.8770 42.5836 175.7125 *120 I 3.7881 8.3188 111.8766 59.9026 39.4893 175.3587 121 H 4.1106 7.7784 121.8396 56.8580 29.9578 173.7368 122 Q 4.3173 8.0790 124.9874 53.3192 29.4238 173.0856 123 P 4.0266 0.0000 0.0000 61.7547 32.4040 177.2327 *139 A 4.0488 8.3369 123.3256 51.0938 19.4568 175.4711 140 P 4.1783 0.0000 0.0000 66.9059 31.6185 178.4235 141 E 3.9766 8.2555 116.5224 59.8203 29.3635 178.9411 142 H 4.0876 8.1540 117.5607 59.2740 30.0530 177.0418 143 L 4.0454 7.9088 120.6606 57.8972 41.3151 179.3167 144 L 4.0549 7.8511 119.6601 57.5612 42.0298 178.8325 145 K 3.9627 7.7949 119.5168 59.4660 32.2053 179.0320 146 T 3.8497 7.9343 116.2282 66.5611 68.3936 176.7891 147 R 3.9177 8.0037 120.7325 59.2919 30.0670 178.0984 148 N 4.3379 7.9888 117.2310 56.8769 39.0044 177.0242 149 T 3.8948 7.8811 117.1743 66.4988 68.5085 176.6702 150 L 4.0350 7.8300 120.3859 57.8207 41.8041 179.3354 151 E 4.0758 8.2605 118.3771 59.0273 29.2910 179.3721 152 K 4.0280 8.0647 120.1319 59.4317 32.2556 179.0142 153 I 3.8029 7.7085 119.7523 64.2863 36.7642 178.4612 154 L 4.2111 8.0262 118.9573 57.5687 41.6801 178.9694 155 A 4.2467 8.1476 120.8283 55.4571 18.1721 179.6288 156 E 3.9944 8.0155 115.6128 59.4951 29.5729 178.9430 157 N 4.6496 8.2740 115.5815 54.7273 38.9092 176.3949 158 S 5.3418 7.3060 115.2426 56.1178 63.6727 174.8122 159 G 3.9581 8.0061 109.6457 46.7776 0.0000 173.2178 160 Q 4.6373 7.1443 114.9840 53.4765 32.6414 177.0745 161 S 4.7244 7.7723 120.6728 58.5623 62.2039 176.6925 *163 E 4.3203 8.7736 114.8758 56.1132 31.4274 177.7766 164 K 3.9779 8.0159 118.9389 59.4291 32.2240 179.1564 165 V 3.8788 7.7328 119.4959 65.8581 31.6061 177.2965 166 H 4.3315 8.4026 117.3078 59.4271 29.4118 176.8864 167 A 4.2714 7.6612 122.3091 54.7763 18.1640 179.1755 168 D 4.4593 8.4338 117.0803 57.0560 40.6462 178.5315 169 A 3.9030 7.9160 120.7131 53.9481 18.6687 178.4140 170 E 4.1558 7.6567 113.8525 56.4387 29.9651 176.8342 171 R 4.2236 6.7246 118.8354 55.8199 31.2155 176.5304 172 D 4.4058 8.1844 121.0196 52.6520 39.8816 174.5764 173 N 4.7857 7.8177 120.1513 51.2549 41.1018 174.2137 174 W 4.8802 8.8204 126.3891 55.0083 31.5218 174.7749 *176 S 4.3267 8.1678 112.6560 58.5822 63.6946 174.2903 177 A 4.0130 8.4639 120.5963 55.2800 18.1081 178.9808 178 Q 3.9064 8.1863 117.5981 59.8146 29.0252 178.4391 179 E 4.1934 8.1576 118.7866 60.2264 29.7020 179.8392 180 T 4.0096 7.8070 114.8183 66.1464 68.2808 176.7771 181 L 3.9557 8.1422 122.9661 57.9018 41.8817 178.7120 182 E 3.9423 8.0390 117.6466 59.7135 29.8677 178.3217 183 Y 3.7955 8.0088 119.5408 58.6010 38.7456 177.2361 184 G 3.6990 7.9373 107.3738 46.0569 0.0000 175.2380 185 F 4.5635 7.7196 120.3678 58.3652 39.3182 175.5026 186 I 4.6335 7.4632 111.8259 59.0594 40.3837 174.2835 187 D 4.7529 8.9224 118.9342 54.9308 42.8753 177.2588 188 E 4.6379 7.4281 117.0838 54.6424 33.3725 175.5861 189 I 4.2616 8.1344 123.7128 60.1627 39.3787 174.7072 *191 A 4.0665 8.0821 122.4253 52.7805 19.1691 176.7042 192 N 4.6886 8.3532 119.1490 52.5060 37.7849 173.9176 193 N 4.7556 8.4308 119.0241 52.9351 38.9592 175.7193 194 S 4.3728 7.7498 118.2314 58.4430 63.3247 173.9048 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 M 8.29 4.45 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 2 I 7.25 4.23 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 1.05 0.00 0.00 3 P 0.00 4.57 0.00 2.02 1.99 0.00 3.40 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 2.03 2.04 0.00 4 V 8.08 4.92 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 0.79 0.00 0.00 1.00 0.00 0.00 5 V 8.61 4.49 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 0.97 0.00 0.00 0.91 0.00 0.00 6 I 8.41 4.72 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.97 0.99 0.00 0.00 7 E 8.94 4.39 0.00 2.14 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 2.28 2.22 0.00 *14 R 7.80 4.20 0.00 1.79 2.17 0.00 3.10 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 15 S 7.74 5.14 0.00 3.84 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 16 Y 8.73 4.36 0.00 3.14 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 17 D 8.65 5.09 0.00 2.92 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 18 I 8.08 3.53 1.68 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 1.30 1.00 0.24 0.00 0.00 19 Y 7.72 4.32 0.00 3.21 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 20 S 8.90 4.34 0.00 4.27 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 0.00 21 R 8.42 3.72 0.00 1.89 2.04 0.00 2.73 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 22 L 7.85 4.02 0.00 2.00 1.78 0.90 0.36 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 23 L 7.91 4.36 0.00 2.11 2.00 1.15 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.67 3.93 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 0.95 7.81 25 D 8.00 4.75 0.00 2.83 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 R 8.18 4.00 0.00 2.17 2.03 0.00 3.12 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 27 I 7.88 5.22 2.17 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 1.54 1.61 1.26 0.00 0.00 28 I 8.39 4.82 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 1.05 0.00 0.00 *30 L 8.40 4.42 0.00 1.85 1.79 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.38 5.55 4.22 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 0.00 0.00 1.23 0.00 0.00 32 G 8.58 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 33 P 0.00 4.55 0.00 1.94 1.99 0.00 3.67 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 2.03 2.12 0.00 34 V 8.69 4.19 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 0.70 0.00 0.00 0.91 0.00 0.00 35 E 8.54 4.91 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 2.16 2.58 0.00 36 D 9.10 4.55 0.00 2.79 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 37 N 8.27 4.38 0.00 2.94 2.82 0.00 0.00 6.95 6.98 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 *39 A 8.01 4.29 1.43 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 40 N 8.53 4.49 0.00 2.90 2.88 0.00 0.00 6.67 6.96 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 41 S 7.73 4.07 0.00 4.02 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 42 V 7.78 3.63 2.23 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 1.04 0.00 0.00 0.94 0.00 0.00 43 I 7.78 3.72 2.03 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 1.49 0.59 0.95 0.00 0.00 44 A 7.90 4.10 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 45 Q 8.29 4.17 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 46 L 8.06 4.03 0.00 1.93 1.75 0.95 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.45 4.04 0.00 1.75 1.81 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.35 4.29 0.00 3.19 3.36 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 49 L 8.18 3.53 0.00 1.86 1.60 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.14 4.20 0.00 2.70 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 51 A 7.58 4.08 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 52 Q 7.27 4.08 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.59 0.00 0.00 0.00 0.00 0.00 1.85 1.49 0.00 53 D 7.08 4.25 0.00 2.47 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 54 S 8.48 4.50 0.00 3.86 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 55 T 8.08 4.11 4.22 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 0.00 0.00 1.21 0.00 0.00 56 K 7.80 4.45 0.00 1.62 1.75 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.54 7.81 57 D 8.63 4.57 0.00 2.34 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 0.00 0.00 0.00 0.00 58 I 8.29 4.28 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.90 0.88 0.00 0.00 59 Y 8.53 4.83 0.00 2.97 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 60 L 8.85 5.07 0.00 1.73 1.70 0.97 0.72 0.00 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8.00 4.60 0.00 2.82 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 78 T 7.66 4.34 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 1.30 0.00 0.00 *80 N 8.15 4.70 0.00 2.91 2.97 0.00 0.00 7.07 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 81 F 8.86 4.48 0.00 2.91 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 82 I 7.30 3.57 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.64 0.90 0.00 0.00 83 K 8.33 3.92 0.00 1.66 1.82 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.26 7.81 84 A 7.40 4.43 1.22 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 0.00 0.00 0.00 0.00 0.00 85 D 8.77 4.34 0.00 2.86 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 86 V 8.21 4.51 2.06 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 156 E 8.02 3.99 0.00 2.23 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 2.36 2.37 0.00 157 N 8.27 4.65 0.00 3.06 3.14 0.00 0.00 6.87 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 0.00 158 S 7.31 5.34 0.00 3.75 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 0.00 159 G 8.01 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 0.00 160 Q 7.14 4.64 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.20 1.84 0.00 161 S 7.77 4.72 0.00 3.99 3.59 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 *163 E 8.77 4.32 0.00 2.14 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 0.00 2.31 2.38 0.00 164 K 8.02 3.98 0.00 1.80 1.96 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.41 1.55 7.81 165 V 7.73 3.88 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 1.22 0.00 0.00 1.19 0.00 0.00 166 H 8.40 4.33 0.00 3.31 3.49 0.00 5.92 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 A 7.66 4.27 1.37 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 0.00 0.00 168 D 8.43 4.46 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 0.00 169 A 7.92 3.90 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 0.00 170 E 7.66 4.16 0.00 2.29 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 0.00 2.41 2.29 0.00 171 R 6.72 4.22 0.00 1.73 1.86 0.00 3.16 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 172 D 8.18 4.41 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 N 7.82 4.79 0.00 2.58 2.60 0.00 0.00 7.28 7.95 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 0.00 174 W 8.82 4.88 0.00 3.36 3.23 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 *176 S 8.17 4.33 0.00 4.08 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 0.00 177 A 8.46 4.01 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 0.00 178 Q 8.19 3.91 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 179 E 8.16 4.19 0.00 2.17 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 0.00 2.40 2.43 0.00 180 T 7.81 4.01 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 0.40 0.00 0.00 181 L 8.14 3.96 0.00 1.73 1.84 0.96 1.23 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 0.00 182 E 8.04 3.94 0.00 2.22 1.99 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 2.34 2.32 0.00 183 Y 8.01 3.80 0.00 3.22 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 0.00 184 G 7.94 3.70 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 0.00 0.00 0.00 185 F 7.72 4.56 0.00 2.75 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 0.00 186 I 7.46 4.63 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.87 0.00 0.00 187 D 8.92 4.75 0.00 2.29 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 7.43 4.64 0.00 1.91 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 2.27 2.17 0.00 189 I 8.13 4.26 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 0.51 0.96 0.00 0.00 *191 A 8.08 4.07 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 0.00 192 N 8.35 4.69 0.00 2.68 2.77 0.00 0.00 7.05 7.79 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 0.00 193 N 8.43 4.76 0.00 2.75 2.82 0.00 0.00 7.15 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 0.00 194 S 7.75 4.37 0.00 4.01 3.83 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 * Residues marked with a * may have inaccurate shift predictions.