NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2775 8.1744 110.9374 61.6081 70.1137 172.8225 3 T 3.9927 8.2111 118.1411 61.0971 68.0464 172.4787 4 Q 4.5720 8.0121 126.3951 54.0853 33.3432 174.5016 5 T 4.2359 8.6466 114.2767 61.6430 69.8219 173.4612 6 A 4.9349 8.5048 124.0972 50.5468 21.5373 176.1592 7 T 4.3299 8.4993 107.9758 61.6800 71.2122 173.9908 8 D 4.4932 7.9362 122.7082 53.4746 41.4160 176.6315 9 F 4.0147 8.9603 126.7388 59.3762 39.4761 176.2010 *11 E 4.2352 8.2587 120.3694 56.0924 31.2730 178.2291 12 I 3.5803 7.7304 118.3771 64.4661 37.5698 177.8878 13 V 3.5365 7.6960 119.9710 65.8650 31.4836 178.3691 14 K 3.9833 7.9041 117.5613 59.2309 31.9859 178.3014 15 G 3.7042 7.9429 105.4697 46.1345 0.0000 173.5032 16 R 4.0396 7.6438 121.7473 55.9888 30.2451 175.6261 17 R 4.7030 8.1383 122.9869 53.9130 33.9846 175.1464 18 S 4.4307 8.5665 115.6633 58.6597 62.9072 174.0111 19 I 4.2439 8.3907 127.2901 59.7306 38.2354 176.0087 20 R 4.4042 8.2275 122.5214 55.6852 31.5425 175.3038 21 N 4.7468 7.2421 116.8275 51.6956 41.5133 172.5044 22 Y 4.9173 8.1146 122.1764 55.6447 41.5462 175.0338 23 D 4.4962 9.1102 122.0182 54.2958 40.8250 177.2579 24 T 4.0804 8.5451 117.6700 63.7772 69.0254 174.7057 25 N 4.6818 8.7266 119.0450 52.9989 38.9558 174.5176 26 V 4.3151 7.5931 119.3676 60.9454 32.8028 175.0638 27 K 4.5648 8.4496 125.8164 54.5260 35.0417 175.3834 28 I 4.1965 7.8912 122.9747 59.3733 38.0679 176.2638 29 S 4.2795 8.4396 120.2538 57.8220 63.5130 174.2733 30 K 3.9852 8.5523 122.7897 59.6954 32.5079 178.0602 31 E 4.0891 8.3360 118.0409 59.6281 29.5472 180.3284 32 E 3.8708 8.4912 118.3006 56.8003 29.1557 178.6901 *34 T 4.1775 8.0934 115.2674 63.1393 70.6828 176.1594 35 Q 4.1016 7.9832 121.7001 59.1782 28.9349 178.3641 36 I 3.5642 7.8727 121.0165 64.4500 37.1410 178.4820 37 L 3.7099 7.6305 119.2056 57.4849 41.2377 179.0675 38 E 3.9610 8.1946 118.1713 59.6366 29.2746 179.0820 39 E 4.0873 8.2094 118.1939 59.2945 29.6562 179.2803 40 A 3.9286 8.0355 121.1665 55.0947 18.2530 179.0961 41 T 3.8525 7.6663 105.3023 62.7836 69.1848 176.1426 42 L 4.1625 7.4721 121.1089 55.6511 41.9548 177.0500 43 A 4.1164 6.9529 121.9500 51.7310 18.8271 175.6272 44 P 4.7842 0.0000 0.0000 62.8079 32.3397 175.6236 45 S 4.8369 8.2197 111.4396 56.9380 65.3566 174.0612 46 S 4.2228 8.7953 118.3234 60.9396 62.8686 174.7212 47 V 3.3059 9.4713 116.5600 61.5425 29.1556 171.4056 48 N 4.0287 7.9681 118.5461 53.0271 37.6587 174.3690 *50 Q 2.5785 7.9997 126.8050 54.7220 29.6898 174.4099 51 P 4.3611 0.0000 0.0000 63.0026 33.1407 177.9535 52 W 4.8311 6.3240 118.2723 56.8322 29.0655 175.9426 53 R 4.6322 9.0507 120.0442 54.6659 34.4775 174.0275 54 F 5.5554 8.5989 118.8857 55.8575 42.9423 174.0957 55 L 4.5648 9.0257 122.9350 53.0699 43.9077 175.8325 56 V 4.0739 8.4067 124.7403 61.9314 31.8747 175.4831 57 I 4.2938 8.8280 131.4875 59.7884 36.7869 175.8808 58 D 4.6768 8.4312 124.9482 52.1371 41.4038 177.5694 59 S 4.3777 7.7719 115.4003 57.6899 65.2570 174.2971 60 E 3.9028 8.7079 123.5919 59.6525 29.2908 178.8783 61 E 4.0215 8.2232 118.7804 59.1908 29.7256 178.8526 62 G 3.7884 8.5600 106.1489 47.9060 0.0000 175.7680 63 K 4.0072 8.6357 121.5080 59.1672 31.8372 179.3307 64 A 4.0520 8.0509 120.0882 55.3750 18.3241 179.5423 65 T 3.8729 7.9526 113.7608 66.6212 68.7863 176.4293 66 L 4.2886 8.6063 122.5504 57.8635 42.1366 178.4745 67 A 4.1525 8.0915 121.1823 54.9511 18.1382 177.9271 68 P 4.2551 0.0000 0.0000 65.3133 31.5618 177.4972 69 L 4.4174 8.1500 117.5931 54.7792 43.3234 175.7787 70 A 4.6810 7.6416 121.7883 51.0680 19.6996 176.3035 71 K 3.4398 7.3493 129.4427 57.2433 33.0190 176.9432 72 F 4.8204 8.8496 109.5221 57.2340 38.7069 174.7155 73 N 5.4135 7.8708 111.9436 51.6982 40.1523 177.8324 74 Q 4.0641 8.2806 119.6716 58.7914 28.7986 178.0653 75 V 3.6407 7.7844 119.1504 65.9495 31.3543 177.9605 76 Q 4.1659 8.0393 117.2972 59.0122 28.4891 178.7351 77 V 3.5925 7.3541 117.3012 66.0298 31.6934 177.6530 78 E 4.1236 8.3529 117.4564 59.7392 29.5060 179.2140 79 T 4.2031 8.0408 108.1037 62.9759 69.4186 175.3641 80 S 3.9219 7.1181 115.4881 57.8836 63.6715 174.4108 81 S 4.2613 8.0101 118.1742 61.6889 63.0609 174.3691 82 A 4.5899 7.3759 118.4354 50.8559 22.9285 175.0918 83 V 4.4601 8.4931 119.5631 61.1301 34.1281 174.6180 84 I 4.6691 8.5993 129.5541 60.2846 38.5052 174.6474 85 A 4.4809 8.8195 130.6089 50.6958 20.3408 175.7822 86 V 4.5990 8.0245 122.8741 61.6342 33.7628 174.7041 87 F 5.3894 9.3898 125.6026 55.8033 44.0023 173.5685 88 G 4.4229 9.3090 108.2788 44.9324 0.0000 173.3430 89 D 4.6881 8.8352 124.7200 52.5984 44.4335 177.2915 *91 K 4.0823 8.3799 117.7679 56.0240 33.7407 177.5282 92 A 3.9192 8.0058 124.6057 55.7592 17.9508 180.6873 93 I 3.5804 7.5412 117.1083 64.0436 36.9487 177.9280 94 D 4.3425 7.8897 119.0665 56.5748 40.7971 177.5920 95 Q 4.3529 7.8273 117.2526 55.6710 29.0795 176.9897 96 L 3.9032 7.7894 123.3617 58.5326 41.9769 178.8268 97 E 3.9778 8.0402 117.7487 59.0582 29.4843 178.5676 98 N 4.2923 8.1204 116.7524 56.7375 39.1872 176.6355 99 I 3.7270 8.0840 121.3685 64.9610 37.3062 178.1725 100 Y 3.9795 8.5209 117.4008 60.8607 37.5853 177.9162 101 D 4.4232 8.5826 120.3711 57.8444 40.8833 178.9927 102 T 3.8581 8.0680 115.8323 66.5538 68.3420 176.4290 103 A 3.9380 7.8496 122.1871 55.0816 18.3025 179.9394 104 V 3.4953 7.8385 116.5864 66.1990 31.4723 177.8274 105 E 3.9782 8.1749 117.2677 59.5495 29.4986 178.9970 106 K 4.3591 8.1639 114.9198 56.1532 32.2513 177.8058 107 G 3.9029 7.9574 107.5336 46.1624 0.0000 173.8485 108 L 4.3614 8.0187 118.0110 54.3553 41.8199 175.4190 *110 P 4.2105 0.0000 0.0000 62.1052 33.6735 176.9644 111 Q 3.9862 8.5617 121.6071 59.2148 28.9188 178.2287 112 E 3.9072 8.2733 119.9292 59.5064 29.5505 178.9455 113 V 3.5846 7.7442 117.2780 66.0383 31.7221 177.6394 114 R 4.0682 8.0062 118.3993 59.8012 29.7423 178.2189 115 D 4.4500 8.6775 117.3493 56.5868 40.9913 178.1706 116 R 4.1884 7.7134 119.0971 58.9513 30.2906 178.3865 117 Q 4.1085 8.5570 118.3326 58.7758 28.6492 178.5224 118 V 3.2663 7.8156 119.5003 65.4665 31.5402 176.2191 119 P 4.3248 0.0000 0.0000 65.8082 30.7930 177.9776 120 A 3.9515 7.3719 118.1165 55.0383 18.4126 179.3136 121 I 3.8738 7.7659 117.1419 64.7660 37.6001 178.4012 122 Q 4.3366 8.4529 119.2899 58.7150 27.9477 179.4277 123 G 3.7340 8.1000 103.7113 45.5024 0.0000 174.7090 *125 Y 4.0718 7.8835 119.5393 57.3205 40.0462 177.3208 126 E 4.0094 8.1985 119.5716 58.7441 29.6190 177.5944 127 N 4.7574 7.4876 115.6324 53.1655 39.2423 174.0433 128 V 4.2023 7.1336 116.4992 59.9045 32.8900 174.3864 129 P 4.5254 0.0000 0.0000 61.8656 33.3273 177.0641 130 A 4.0200 8.5381 121.5302 55.5428 18.3703 180.2931 131 S 4.0512 8.0536 112.0242 61.5680 63.1941 176.4788 132 A 4.0486 7.9264 123.9070 54.5154 18.2260 179.1067 133 L 3.9748 8.1509 119.0995 58.2134 42.1134 179.1457 134 K 3.9269 8.2901 119.6383 59.5648 32.1070 178.2946 135 D 4.3916 7.9973 118.8458 57.5557 40.7967 178.9030 136 S 4.1224 8.0241 113.1464 61.5782 62.4270 176.2849 137 I 3.7613 8.0308 122.6361 64.2069 36.7987 178.4134 138 L 4.0382 8.3809 120.3035 57.8299 41.5073 179.5273 139 I 3.7532 7.9318 119.6275 64.7536 37.1492 178.2931 140 D 4.6332 8.3189 119.5180 57.6338 40.6216 179.1581 141 S 4.5634 8.6436 116.0237 61.3247 62.5738 176.8373 142 G 3.6865 8.1254 107.8858 47.7452 0.0000 175.3022 143 L 4.2072 7.7648 120.6314 57.6924 41.9713 179.8669 144 V 3.4738 7.8792 118.8210 64.5356 30.8739 178.8433 145 S 4.3943 7.7015 113.0798 58.8371 62.7809 174.9984 *147 Q 4.3088 8.0909 125.2025 56.1667 30.5363 177.5314 148 L 4.1707 7.8768 118.6164 55.1270 41.5609 178.5333 *150 L 4.1930 8.0682 118.7351 54.2866 43.9008 179.4734 151 V 3.5800 8.0783 117.6782 65.8380 31.3072 177.6456 152 A 4.1095 8.2644 120.8542 55.6917 18.2026 179.9262 153 R 4.4765 8.2370 116.7734 58.5787 30.2488 178.8828 154 A 4.0273 8.0001 120.8134 54.9768 18.1268 178.3495 155 H 4.4902 7.8733 111.7020 55.7422 29.1052 176.3142 156 G 3.6361 7.8847 109.4441 45.0162 0.0000 172.7753 157 Y 4.9474 7.8230 118.4191 56.6565 41.3032 173.7175 158 D 5.3957 9.3464 119.4059 53.7849 46.2550 174.5526 159 T 5.7604 8.2952 108.1869 59.8692 73.1957 172.3560 160 N 5.2387 8.6260 118.8546 51.0333 42.0173 171.6621 161 P 4.7846 0.0000 0.0000 63.1200 32.1978 175.8478 162 I 4.6027 8.9008 124.4186 59.8014 39.7318 175.5367 163 G 4.1011 9.2252 115.2944 45.8576 0.0000 174.3895 164 G 4.0050 7.9902 110.5947 43.9438 0.0000 171.7110 165 Y 5.0656 7.2708 120.1343 55.0398 41.9908 177.5359 166 E 4.2813 9.1231 121.3351 54.9585 26.0986 177.5763 167 K 3.6521 7.5680 122.8030 59.3185 32.4449 178.1466 168 D 4.5425 8.1072 117.3181 55.7694 39.5820 177.4029 169 Q 4.5367 8.1101 118.0582 56.2416 29.7786 177.4404 170 I 4.0014 7.6782 119.0452 63.7441 37.8515 177.3053 171 A 4.0714 8.2950 120.4922 55.4562 18.6725 178.7326 172 E 4.0193 8.2885 116.7983 59.4147 29.5588 178.6651 173 A 3.9694 7.8779 119.3811 54.1247 18.3465 178.0932 174 F 4.3886 7.5845 113.8540 56.6782 39.3511 172.6182 175 G 3.5647 7.6369 116.5794 44.9173 0.0000 173.1210 *177 E 4.0878 8.3734 125.5768 55.1452 30.6345 175.7679 178 K 4.2723 8.5302 124.6209 57.1958 33.9732 175.6238 179 D 4.4241 8.6178 116.7590 55.5900 38.4375 174.6918 180 R 4.1186 7.9074 115.8500 57.0774 33.3585 173.8680 181 Y 4.8956 7.6467 115.1194 56.0605 39.7676 175.8664 182 V 4.0216 9.1671 126.4338 61.6944 32.7329 173.5829 183 P 4.2738 0.0000 0.0000 63.2315 31.2156 175.8232 184 V 4.0090 8.4025 124.6287 64.5056 32.8500 175.9997 *186 L 3.9911 7.6363 118.7926 54.4153 43.5790 176.0148 187 L 5.0943 8.6643 123.5546 53.1034 44.8031 175.6664 188 S 4.5935 8.5597 121.7330 58.4601 64.5542 173.2166 189 I 4.7998 8.1419 121.6652 59.3299 41.7619 174.6014 190 G 3.7924 7.7317 113.2150 46.1952 0.0000 170.8532 191 K 4.9381 8.2264 121.1991 55.2565 33.4122 177.0042 192 A 4.3185 8.8818 130.9193 52.5998 18.8400 177.2602 193 V 4.2701 7.8835 114.8167 61.1309 32.7898 175.0473 194 D 4.6855 7.3956 117.6482 51.5413 42.3465 175.0486 195 A 3.9298 8.3720 121.5382 52.8406 18.8704 178.5662 196 G 3.5207 7.4961 103.7775 44.6996 0.0000 171.6586 197 Y 4.9461 7.8608 115.5438 55.1179 40.1888 174.3417 198 P 4.5224 0.0000 0.0000 62.8358 32.1294 175.4813 199 S 4.7486 8.1623 113.0337 56.7821 66.2039 173.6421 200 V 4.3281 8.0875 113.9845 60.1599 33.1220 175.8539 201 R 4.7403 8.0002 119.6874 53.9705 33.4579 175.8804 202 L 4.1973 8.3292 120.5830 53.9282 42.5472 175.5387 203 P 4.4031 0.0000 0.0000 62.6817 32.1042 177.6622 204 I 3.7748 8.6511 123.4597 64.8072 37.1578 177.7301 205 N 4.7473 8.1924 114.5484 54.9548 38.4860 175.3527 206 D 4.6619 7.9755 118.0524 55.1627 41.3721 177.0139 207 I 4.4952 7.9964 109.8228 60.0099 38.5481 175.1347 208 A 4.6502 7.8453 122.9244 50.6124 21.9624 175.1111 209 D 5.1850 8.3739 120.6325 52.2533 44.2052 175.4581 210 W 4.6003 9.1508 123.1428 55.4798 30.5248 176.6241 211 K 4.2625 8.5166 121.0111 56.6711 32.3475 176.0399 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 2 T 8.17 4.28 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 1.20 0.00 0.00 3 T 8.21 3.99 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 1.25 0.00 0.00 4 Q 8.01 4.57 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 5 T 8.65 4.24 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 1.10 0.00 0.00 6 A 8.50 4.93 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 7 T 8.50 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 1.19 0.00 0.00 8 D 7.94 4.49 0.00 2.79 2.59 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 9 F 8.96 4.01 0.00 3.16 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 *11 E 8.26 4.24 0.00 2.19 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 2.51 0.00 12 I 7.73 3.58 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.46 0.82 0.00 0.00 13 V 7.70 3.54 1.72 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 0.88 0.00 0.00 0.11 0.00 0.00 14 K 7.90 3.98 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 15 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 16 R 7.64 4.04 0.00 1.91 1.91 0.00 3.20 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 17 R 8.14 4.70 0.00 1.75 1.77 0.00 3.40 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 18 S 8.57 4.43 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 19 I 8.39 4.24 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.39 0.00 0.00 20 R 8.23 4.40 0.00 1.68 1.90 0.00 3.17 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 21 N 7.24 4.75 0.00 2.57 2.56 0.00 0.00 6.96 7.56 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 22 Y 8.11 4.92 0.00 3.07 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 23 D 9.11 4.50 0.00 2.71 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 24 T 8.55 4.08 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 1.24 0.00 0.00 25 N 8.73 4.68 0.00 2.84 2.89 0.00 0.00 6.78 7.24 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 26 V 7.59 4.32 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 0.91 0.00 0.00 1.02 0.00 0.00 27 K 8.45 4.56 0.00 1.71 1.61 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.33 7.81 28 I 7.89 4.20 1.62 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 0.67 0.10 0.71 0.00 0.00 29 S 8.44 4.28 0.00 4.15 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 30 K 8.55 3.99 0.00 1.70 1.86 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 31 E 8.34 4.09 0.00 2.11 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 2.40 2.36 0.00 32 E 8.49 3.87 0.00 1.99 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 2.32 2.37 0.00 *34 T 8.09 4.18 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 1.23 0.00 0.00 35 Q 7.98 4.10 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 36 I 7.87 3.56 1.70 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 1.18 0.22 0.75 0.00 0.00 37 L 7.63 3.71 0.00 1.66 1.46 0.72 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.19 3.96 0.00 2.07 2.02 0.00 0.00 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1.88 1.93 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 117 Q 8.56 4.11 0.00 2.33 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 118 V 7.82 3.27 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 1.06 0.00 0.00 0.72 0.00 0.00 119 P 0.00 4.32 0.00 2.28 2.28 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.09 0.00 120 A 7.37 3.95 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 0.00 121 I 7.77 3.87 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.96 0.00 0.00 122 Q 8.45 4.34 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 123 G 8.10 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.07 0.00 3.07 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 0.00 126 E 8.20 4.01 0.00 2.31 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 0.00 2.33 2.38 0.00 127 N 7.49 4.76 0.00 2.47 2.72 0.00 0.00 7.02 7.59 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 0.00 128 V 7.13 4.20 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 0.88 0.00 0.00 0.57 0.00 0.00 129 P 0.00 4.53 0.00 2.20 1.95 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 130 A 8.54 4.02 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 0.00 131 S 8.05 4.05 0.00 4.06 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 0.00 132 A 7.93 4.05 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 0.00 133 L 8.15 3.97 0.00 1.84 1.88 0.95 0.50 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 0.00 134 K 8.29 3.93 0.00 1.95 1.96 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 135 D 8.00 4.39 0.00 2.96 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 0.00 136 S 8.02 4.12 0.00 3.99 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 0.00 137 I 8.03 3.76 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.59 0.94 0.00 0.00 138 L 8.38 4.04 0.00 1.87 1.76 0.95 0.75 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 0.00 139 I 7.93 3.75 2.07 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 1.56 1.01 0.97 0.00 0.00 140 D 8.32 4.63 0.00 2.79 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 0.00 141 S 8.64 4.56 0.00 4.14 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 0.00 142 G 8.13 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 0.00 143 L 7.76 4.21 0.00 2.02 1.83 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.88 3.47 0.67 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 0.87 0.00 0.00 0.11 0.00 0.00 145 S 7.70 4.39 0.00 4.06 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 *147 Q 8.09 4.31 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.21 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 148 L 7.88 4.17 0.00 1.72 1.73 0.69 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 *150 L 8.07 4.19 0.00 1.88 1.68 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.08 3.58 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 1.04 0.00 0.00 0.98 0.00 0.00 152 A 8.26 4.11 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 0.00 153 R 8.24 4.48 0.00 1.97 1.95 0.00 3.54 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 1.92 1.56 0.00 154 A 8.00 4.03 1.34 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 0.00 155 H 7.87 4.49 0.00 3.41 3.48 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.88 3.64 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 0.00 0.00 0.00 157 Y 7.82 4.95 0.00 3.01 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 0.00 158 D 9.35 5.40 0.00 2.69 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 0.00 159 T 8.30 5.76 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 1.22 0.00 0.00 160 N 8.63 5.24 0.00 3.12 2.77 0.00 0.00 7.36 7.59 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 0.00 161 P 0.00 4.78 0.00 2.13 2.06 0.00 3.78 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 2.01 2.02 0.00 162 I 8.90 4.60 1.80 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 1.20 0.80 0.99 0.00 0.00 163 G 9.23 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 0.00 164 G 7.99 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 0.00 165 Y 7.27 5.07 0.00 3.24 2.85 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 0.00 166 E 9.12 4.28 0.00 2.04 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 0.00 2.50 2.52 0.00 167 K 7.57 3.65 0.00 1.58 1.69 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.54 0.65 7.81 168 D 8.11 4.54 0.00 2.84 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 0.00 169 Q 8.11 4.54 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 170 I 7.68 4.00 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 1.38 0.00 0.00 171 A 8.30 4.07 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 0.00 172 E 8.29 4.02 0.00 2.12 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 2.38 2.44 0.00 173 A 7.88 3.97 1.24 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 0.00 0.00 174 F 7.58 4.39 0.00 3.17 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 0.00 175 G 7.64 3.56 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 0.00 0.00 0.00 *177 E 8.37 4.09 0.00 2.06 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 0.00 2.14 2.31 0.00 178 K 8.53 4.27 0.00 1.92 1.81 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.45 7.81 179 D 8.62 4.42 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.91 4.12 0.00 1.39 1.31 0.00 3.02 0.00 0.00 2.80 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.06 0.00 181 Y 7.65 4.90 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 V 9.17 4.02 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 1.03 0.00 0.00 0.98 0.00 0.00 183 P 0.00 4.27 0.00 1.95 2.01 0.00 3.81 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 184 V 8.40 4.01 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 0.79 0.00 0.00 1.02 0.00 0.00 *186 L 7.64 3.99 0.00 1.31 1.30 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 187 L 8.66 5.09 0.00 1.63 1.42 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 188 S 8.56 4.59 0.00 3.78 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 0.00 189 I 8.14 4.80 1.68 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 0.81 1.44 0.68 0.00 0.00 190 G 7.73 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 0.00 191 K 8.23 4.94 0.00 2.12 1.84 0.00 1.65 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.54 1.57 7.81 192 A 8.88 4.32 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 0.00 193 V 7.88 4.27 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 0.77 0.00 0.00 0.92 0.00 0.00 194 D 7.40 4.69 0.00 2.57 2.50 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 0.00 195 A 8.37 3.93 1.24 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 0.00 0.00 196 G 7.50 3.52 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 0.00 0.00 0.00 197 Y 7.86 4.95 0.00 2.99 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 0.00 198 P 0.00 4.52 0.00 2.20 2.09 0.00 3.89 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 199 S 8.16 4.75 0.00 3.95 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 0.00 200 V 8.09 4.33 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 0.75 0.00 0.00 0.94 0.00 0.00 201 R 8.00 4.74 0.00 1.76 1.80 0.00 3.39 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 202 L 8.33 4.20 0.00 1.65 1.63 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 203 P 0.00 4.40 0.00 2.21 2.00 0.00 3.73 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 2.26 2.13 0.00 204 I 8.65 3.77 2.01 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 1.49 1.02 1.16 0.00 0.00 205 N 8.19 4.75 0.00 2.76 2.93 0.00 0.00 6.88 8.06 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 0.00 206 D 7.98 4.66 0.00 2.88 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 0.00 207 I 8.00 4.50 1.88 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 1.51 0.69 0.93 0.00 0.00 208 A 7.85 4.65 1.07 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 0.00 209 D 8.37 5.18 0.00 2.62 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 0.00 210 W 9.15 4.60 0.00 3.32 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 K 8.52 4.26 0.00 1.70 1.67 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.