NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 3.9013 8.1749 115.1902 61.7582 68.4025 173.1650 6 F 4.7477 8.2115 123.7702 54.6139 39.5830 173.6152 7 P 4.3891 0.0000 0.0000 65.3146 32.5232 176.3006 8 A 4.8305 7.4707 116.5947 51.0982 22.6493 175.0579 9 L 4.9640 8.7074 119.4873 52.8808 45.1917 175.6944 10 L 5.3252 8.8033 123.6169 53.0620 44.5964 175.5011 11 F 5.2323 9.1619 120.8934 55.2708 42.8987 175.1034 12 G 3.9015 9.1518 110.6485 46.4748 0.0000 172.7761 13 L 4.3292 8.8984 122.4277 56.4959 43.0245 176.5228 14 S 4.4493 8.9238 116.5830 59.0570 63.9181 174.1180 15 G 3.8195 8.3869 109.4027 46.1954 0.0000 173.6970 16 C 4.6827 7.0974 119.3001 60.0410 40.0026 174.6518 17 L 4.0543 7.7480 119.2240 57.3058 42.3697 177.3318 18 V 4.5130 7.4016 109.4205 60.0287 36.4746 173.2412 19 D 4.4610 8.4761 116.3860 54.7530 39.3408 173.2977 20 F 3.8196 7.9735 120.0302 60.1977 40.1043 175.2106 21 G 3.6506 8.4311 114.3567 45.3097 0.0000 172.7120 22 A 4.0203 7.6362 121.2802 53.2843 16.0647 177.7123 23 Q 4.2110 8.5645 119.9335 56.5662 30.0686 179.1001 24 A 3.8190 8.3976 120.8903 54.8666 18.7838 178.8527 25 A 4.1369 8.1265 118.7410 55.5332 18.6958 179.6359 26 T 3.8512 7.0662 111.3874 66.1064 68.7611 173.6967 27 S 4.7638 7.5612 113.8694 56.5582 65.5178 173.1537 28 D 4.6821 8.5361 122.3585 55.0568 41.5246 177.2384 29 T 4.3428 7.5797 116.2497 61.8592 69.4243 173.0862 30 P 4.4564 0.0000 0.0000 62.5401 32.3041 175.5770 31 D 4.6223 8.2451 119.6077 51.5521 43.9577 175.5348 32 D 4.3401 8.9016 125.7632 57.7416 40.9911 178.1147 33 E 3.9545 8.7373 119.2097 59.7288 29.5292 179.0268 34 H 4.3844 8.2273 115.8640 58.2187 28.5347 176.8001 35 A 4.2491 7.4665 121.5262 52.9831 18.3466 177.4611 36 Q 4.1761 7.7635 117.2659 55.4797 29.7320 176.2074 37 L 4.3489 8.4093 123.9058 54.9572 42.5804 177.1640 38 T 4.2974 8.5229 112.8158 60.3616 70.4055 172.2535 39 P 4.2088 0.0000 0.0000 64.6174 31.8089 177.8504 40 G 3.6957 8.9771 110.5447 46.0258 0.0000 175.1903 41 A 3.8536 8.0557 122.1784 54.9774 18.2297 179.4008 42 Q 3.5579 7.7895 117.5074 59.5353 29.3733 178.2697 43 N 4.2943 8.0173 116.6566 55.9530 38.6113 177.1579 44 A 3.9898 7.9237 122.4455 55.1833 18.3866 179.7171 45 L 3.8129 7.8380 117.4574 57.5787 41.5593 179.5866 46 K 4.0341 8.0921 118.4420 59.7161 32.0060 179.1286 47 A 4.0332 7.9051 120.3508 55.2128 18.1032 179.7284 48 L 3.9990 7.8001 116.4547 57.8528 41.9698 179.4147 49 R 4.1517 8.5668 119.1072 59.6550 29.8717 178.3272 50 D 4.4501 8.1663 117.6107 57.4245 40.9025 178.3419 51 Q 4.2354 8.3764 117.0353 55.0958 29.0459 172.5201 52 G 3.8201 7.3810 117.8110 44.1531 0.0000 171.4263 *54 P 4.3664 0.0000 0.0000 62.7289 32.9940 175.3813 55 C 6.0596 8.9401 119.5671 58.2003 32.6731 173.0704 56 A 5.0924 8.7032 121.5826 50.3629 22.6752 175.0507 57 W 5.6435 8.9322 117.3961 55.1991 31.3758 175.1832 58 I 5.1125 9.1811 121.4578 60.0884 40.7454 173.9614 59 D 5.5023 9.1900 124.5084 54.0117 44.3429 174.4184 60 E 4.3265 8.5471 118.2197 55.5321 30.5054 176.7931 61 L 4.1482 7.8391 119.2297 53.8325 42.4533 175.4180 62 P 4.3812 0.0000 0.0000 62.3492 32.0525 177.1871 63 E 4.0593 9.3158 123.1143 58.8768 29.0074 179.3839 64 A 3.9959 7.9176 119.5218 54.9449 18.4274 178.9566 65 L 4.1836 8.2117 117.7171 57.3756 41.7389 179.4276 66 S 4.3298 7.9791 113.5842 60.9322 63.1414 176.4510 67 T 4.0176 7.9954 119.3495 66.1642 68.2104 174.3521 68 P 4.3844 0.0000 0.0000 65.9342 31.0457 178.3451 69 L 3.9025 7.2378 118.0905 57.1510 41.7443 178.5446 70 A 3.9244 7.9628 118.9634 52.7869 18.4463 178.9866 71 A 3.9757 7.5474 119.8700 54.9621 18.2727 177.9940 72 P 4.3919 0.0000 0.0000 65.0225 31.5480 177.9966 73 V 4.5450 7.8728 109.0175 61.1603 32.7295 177.1407 74 N 3.9821 7.9450 114.8295 55.8644 38.4696 175.1938 75 D 4.5186 8.2571 117.5824 54.4464 41.2557 176.5149 76 W 4.5163 9.0896 118.9607 56.3866 31.1664 175.2691 *78 I 4.0724 7.3857 111.5319 60.3696 38.9057 174.4353 79 A 2.9692 8.1496 124.9264 50.6523 18.8353 177.4600 80 A 4.1175 7.9980 125.6057 50.9060 19.3470 175.7345 81 P 4.2135 0.0000 0.0000 62.3962 31.9928 176.6925 82 R 4.0176 8.3980 122.3554 55.4112 30.5578 174.9093 83 P 4.6112 0.0000 0.0000 62.3945 32.4004 176.4887 84 T 3.8696 8.4322 109.2865 63.8437 69.1388 174.5015 85 A 4.3242 7.8496 125.2809 50.3632 18.9424 176.9532 86 G 3.8460 8.2064 112.3322 44.7746 0.0000 171.8964 87 W 4.6806 8.2129 119.4574 56.6463 29.4316 174.5747 88 P 4.7563 0.0000 0.0000 62.7588 31.2738 175.8547 89 Q 4.1766 7.9218 119.0455 55.9432 29.2385 175.9860 90 P 4.0059 0.0000 0.0000 64.6181 31.0171 178.1928 91 D 4.4273 7.0864 118.4083 57.7047 40.8810 178.1092 92 A 4.2402 8.0639 118.8945 55.6741 18.6427 179.1046 93 C 4.3065 7.8187 114.3703 62.5615 28.0937 177.2768 94 W 4.5840 7.4802 116.9992 57.2764 28.4403 177.2358 *96 A 4.4329 8.2015 122.4482 52.4953 19.9366 181.4423 97 L 4.2631 7.9149 113.3188 55.3080 40.9084 179.1846 *99 A 4.2920 7.9867 123.3467 51.9465 20.1911 178.3625 100 L 4.3726 7.6811 112.9002 54.2520 42.0419 176.2632 101 N 4.2526 8.1673 114.6313 53.9710 36.1019 174.9025 102 V 3.8450 7.4748 110.1647 61.5518 32.1748 177.2086 103 S 4.3628 8.6111 117.7709 60.6299 63.5813 174.0656 104 Q 4.5977 7.3880 115.9441 54.8406 30.7728 173.9194 105 L 4.0871 8.4698 121.4926 57.8253 42.5114 177.0316 106 E 4.1226 8.0607 119.4067 57.8628 29.6943 176.5873 107 G 4.1012 9.2834 115.0780 45.3217 0.0000 173.2482 108 C 4.7579 8.3777 118.2568 59.9185 29.5320 173.0166 109 V 4.9542 8.4919 121.4376 61.0958 34.9762 173.6629 110 L 5.0247 8.9541 129.2086 53.2862 44.6255 174.8080 111 I 4.8467 8.1568 126.8603 59.6859 39.9526 174.5657 112 S 4.6518 8.6974 119.8053 57.6991 66.2237 175.3611 113 G 3.7623 8.6660 110.8445 45.0821 0.0000 173.0021 114 D 4.6520 8.0269 120.8477 52.0262 42.3363 174.8572 115 P 4.2359 0.0000 0.0000 65.9258 31.1956 178.8362 116 R 3.9573 8.4958 116.9497 58.9527 30.0238 178.8400 117 L 2.5131 7.2834 119.6031 57.5894 41.9733 178.5841 118 L 3.7882 7.8970 119.3609 57.9975 41.5367 179.4340 119 Q 3.8676 8.0902 119.3504 58.8777 28.9077 178.1118 120 S 4.4161 7.0676 115.8540 60.7386 62.4393 176.2567 121 G 3.5622 7.7166 108.2319 47.7850 0.0000 175.4527 122 L 3.8974 8.0773 121.8416 57.6449 41.4742 179.2797 123 N 4.2301 8.2428 114.9644 56.3633 38.5902 176.9709 124 A 3.7132 7.9410 120.5454 53.0635 18.4126 178.3874 125 G 3.8927 7.8093 105.4310 45.0444 0.0000 173.7057 126 L 4.4491 7.3383 118.8947 53.5040 42.8283 177.0244 127 W 4.2160 8.6740 120.6859 57.1109 30.3718 175.5405 128 T 5.1508 8.8986 112.2392 60.0288 71.9978 172.4608 129 I 4.6586 8.8767 125.9142 59.5381 40.0591 174.9425 130 G 4.6589 9.0145 115.3631 44.8374 0.0000 172.0951 131 L 5.2234 8.1677 122.1755 52.8148 42.8668 176.5651 132 A 4.0891 8.8535 126.3829 53.8590 18.6939 178.3631 133 S 3.8828 7.5752 109.4440 59.1177 64.3204 174.8077 134 C 2.7028 7.3313 112.2210 57.0346 30.3955 173.6958 135 G 4.2274 7.0539 110.6568 43.4123 0.0000 172.5752 136 P 4.3047 0.0000 0.0000 65.0683 31.4203 178.5687 137 L 4.0046 7.8106 118.3086 57.2972 40.8865 177.7312 138 C 4.3351 7.7542 113.4125 61.4820 28.7946 175.8888 139 G 3.9717 7.8814 104.8511 45.9681 0.0000 172.8810 140 L 4.9863 7.0980 116.7988 52.1905 44.0961 176.9049 141 S 4.4535 9.2334 118.5368 57.5597 65.0091 173.6965 142 P 3.8176 0.0000 0.0000 65.8537 30.9582 179.1266 143 S 4.1463 8.0065 112.3388 61.4925 62.8399 176.3103 144 Q 4.0343 7.8916 120.6767 58.4605 28.6546 178.3014 145 W 4.3930 8.8526 129.7988 60.6301 30.5699 177.8634 146 Q 3.9597 8.2655 118.1404 58.7238 28.5456 177.3989 147 A 4.2125 7.5381 119.8540 52.6924 18.8651 177.5175 148 L 4.1625 6.8180 117.3947 54.2441 42.5431 176.8204 149 N 4.6859 8.9510 119.4667 51.7788 40.0125 176.0214 150 N 4.1633 8.4686 116.9720 56.5199 38.4831 177.3736 151 A 3.9595 7.9827 121.4755 55.2032 18.3471 179.4228 152 E 3.8225 8.7180 117.3450 59.5434 29.4520 179.7571 153 R 3.1216 7.5605 117.9713 58.8003 29.9408 178.5822 154 E 3.9186 8.1644 119.1195 59.3682 29.6258 178.4729 155 Q 3.9595 8.2340 119.6500 59.3703 29.1067 178.5704 156 R 4.0040 8.2144 119.0713 59.4563 30.1114 179.0613 157 R 4.2290 8.5173 117.7263 59.5735 30.1795 179.0286 158 A 4.0372 8.3442 120.5395 55.0931 18.4766 179.5049 159 Q 3.9067 8.3744 117.9470 59.3286 29.2094 178.2751 160 A 4.0180 8.1650 121.8042 55.4086 18.3160 179.6939 161 T 3.7276 8.2444 114.5175 66.8812 68.4777 176.9103 162 L 4.1688 8.0994 120.8268 57.6782 41.3989 179.6420 163 K 3.9684 7.7642 117.2828 59.4027 32.1612 179.1307 164 L 4.0547 8.0013 119.1639 58.0307 41.5009 179.1061 165 Y 4.2848 8.0468 117.0793 61.1091 37.5762 178.8475 166 S 4.1666 8.3447 114.4437 61.2810 63.0176 176.2478 167 L 4.1759 7.4785 121.5285 55.8223 41.3971 177.8290 168 G 4.0584 7.9580 106.4031 44.8791 0.0000 174.0900 169 V 4.0598 7.3536 118.2049 62.7923 32.0669 175.6251 170 H 4.7529 8.7979 122.9375 58.6573 29.6521 175.9743 171 S 4.9485 8.2669 113.1196 57.0507 67.6711 173.6137 172 V 4.8389 8.4934 123.1659 60.9883 33.8513 174.3711 173 I 4.6808 8.3601 119.7730 59.0766 41.2678 176.0193 174 D 4.5240 8.7044 122.2756 57.5781 42.1074 176.0369 175 H 4.6422 7.4390 111.3443 53.6583 30.8409 174.2204 176 L 4.3487 8.0331 118.8158 56.4152 41.1043 179.6096 177 G 3.8194 8.3661 105.1618 46.9068 0.0000 174.3817 178 E 4.4326 8.0087 119.3062 56.0998 29.7905 177.5478 179 L 3.8641 7.6976 122.5995 58.1422 42.2064 178.3029 180 E 3.8569 8.1428 118.5896 59.6979 29.6214 178.9487 181 S 4.1580 7.9762 114.4906 61.3884 62.9374 176.0813 182 C 4.0362 7.9704 121.5393 62.5340 31.3715 175.6297 183 L 3.7326 8.2346 120.7145 57.7036 41.2076 179.3912 184 A 4.0693 8.0941 120.6676 55.1754 18.1950 179.1413 185 D 4.3112 8.0175 116.5126 57.2022 41.2533 178.4570 186 I 3.3259 7.7992 120.3121 64.0687 36.9942 178.0869 187 A 3.7688 8.1573 121.5669 55.0138 18.2523 179.4560 188 L 3.8603 7.7707 118.5161 58.3460 42.1778 179.2902 189 R 3.9598 8.0800 118.1049 59.4767 29.9625 179.2684 190 R 4.3384 8.5035 119.7380 58.7595 29.8214 179.2885 191 S 4.1408 8.0113 113.0605 60.9684 63.0098 175.8101 192 K 4.3120 7.5632 119.2917 56.5033 32.1296 177.5580 193 G 4.0498 8.0711 108.1952 44.8207 0.0000 173.8865 194 E 4.2074 8.3861 121.6405 56.0276 30.2843 175.7517 195 K 4.7557 8.1730 123.3498 53.5199 35.9806 174.5280 196 P 3.1806 0.0000 0.0000 62.6929 31.0518 176.5648 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 5 T 8.17 3.90 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 1.16 0.00 0.00 6 F 8.21 4.75 0.00 3.13 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 7 P 0.00 4.39 0.00 2.11 2.16 0.00 3.82 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 2.32 2.11 0.00 8 A 7.47 4.83 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 9 L 8.71 4.96 0.00 1.66 1.16 0.88 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.80 5.33 0.00 1.47 1.55 0.93 0.85 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 11 F 9.16 5.23 0.00 3.04 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 12 G 9.15 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 13 L 8.90 4.33 0.00 1.42 1.61 0.19 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.92 4.45 0.00 4.14 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 15 G 8.39 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 0.00 0.00 0.00 16 C 7.10 4.68 0.00 2.87 2.90 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 17 L 7.75 4.05 0.00 1.87 1.50 0.82 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.40 4.51 2.19 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 1.06 0.00 0.00 0.90 0.00 0.00 19 D 8.48 4.46 0.00 2.98 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 20 F 7.97 3.82 0.00 2.93 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 21 G 8.43 3.65 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 0.00 0.00 0.00 22 A 7.64 4.02 1.25 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 0.00 0.00 23 Q 8.56 4.21 0.00 1.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 24 A 8.40 3.82 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 25 A 8.13 4.14 1.30 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 0.00 0.00 26 T 7.07 3.85 4.42 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 1.23 0.00 0.00 27 S 7.56 4.76 0.00 3.75 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 28 D 8.54 4.68 0.00 2.70 2.69 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 29 T 7.58 4.34 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 1.21 0.00 0.00 30 P 0.00 4.46 0.00 2.03 1.97 0.00 3.62 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 31 D 8.25 4.62 0.00 2.49 2.05 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 32 D 8.90 4.34 0.00 2.72 2.63 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 0.00 33 E 8.74 3.95 0.00 2.04 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 2.31 2.47 0.00 34 H 8.23 4.38 0.00 3.29 3.30 0.00 5.63 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 35 A 7.47 4.25 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 36 Q 7.76 4.18 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 37 L 8.41 4.35 0.00 1.42 1.48 0.68 0.76 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 38 T 8.52 4.30 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 1.29 0.00 0.00 39 P 0.00 4.21 0.00 2.15 1.96 0.00 3.79 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 2.03 1.98 0.00 40 G 8.98 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 41 A 8.06 3.85 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 42 Q 7.79 3.56 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 43 N 8.02 4.29 0.00 2.81 2.83 0.00 0.00 6.92 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 44 A 7.92 3.99 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 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0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 55 C 8.94 6.06 0.00 2.97 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 56 A 8.70 5.09 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.93 5.64 0.00 3.55 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.18 5.11 2.03 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 1.20 1.58 1.28 0.00 0.00 59 D 9.19 5.50 0.00 3.04 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 60 E 8.55 4.33 0.00 1.16 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 1.47 1.47 0.00 61 L 7.84 4.15 0.00 1.69 1.61 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.38 0.00 2.18 1.96 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.38 4.76 0.00 3.08 2.96 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 0.00 109 V 8.49 4.95 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 0.96 0.00 0.00 1.02 0.00 0.00 110 L 8.95 5.02 0.00 1.68 1.40 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.16 4.85 1.34 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.32 0.86 0.00 0.00 112 S 8.70 4.65 0.00 3.71 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.67 3.76 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 0.00 0.00 0.00 114 D 8.03 4.65 0.00 2.68 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 0.00 115 P 0.00 4.24 0.00 2.17 2.06 0.00 3.62 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.94 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.81 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 0.00 0.00 0.00 0.00 126 L 7.34 4.45 0.00 1.55 1.66 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 127 W 8.67 4.22 0.00 3.47 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.90 5.15 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 1.19 0.00 0.00 129 I 8.88 4.66 1.76 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 0.84 0.00 0.00 130 G 9.01 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 0.00 131 L 8.17 5.22 0.00 1.39 1.47 0.89 0.76 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 0.00 132 A 8.85 4.09 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 0.00 133 S 7.58 3.88 0.00 3.77 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 0.00 134 C 7.33 2.70 0.00 2.45 2.37 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 0.00 135 G 7.05 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 0.00 136 P 0.00 4.30 0.00 2.21 2.29 0.00 3.78 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 2.02 1.97 0.00 137 L 7.81 4.00 0.00 1.60 1.75 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 138 C 7.75 4.34 0.00 2.88 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 0.00 139 G 7.88 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 0.00 0.00 0.00 140 L 7.10 4.99 0.00 2.08 1.85 1.17 1.12 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 0.00 141 S 9.23 4.45 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 3.82 0.00 2.08 1.87 0.00 3.63 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 143 S 8.01 4.15 0.00 4.05 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 0.00 144 Q 7.89 4.03 0.00 2.46 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 145 W 8.85 4.39 0.00 3.62 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.27 3.96 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 147 A 7.54 4.21 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 0.00 148 L 6.82 4.16 0.00 1.37 1.48 0.55 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.95 4.69 0.00 2.91 2.91 0.00 0.00 7.39 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 N 8.47 4.16 0.00 2.79 2.87 0.00 0.00 6.69 7.09 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 0.00 151 A 7.98 3.96 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 0.00 152 E 8.72 3.82 0.00 2.01 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 2.27 2.41 0.00 153 R 7.56 3.12 0.00 1.70 1.64 0.00 2.81 0.00 0.00 2.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 154 E 8.16 3.92 0.00 2.07 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 0.00 2.32 2.38 0.00 155 Q 8.23 3.96 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 156 R 8.21 4.00 0.00 2.23 2.29 0.00 3.47 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 157 R 8.52 4.23 0.00 2.13 2.11 0.00 3.47 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.26 0.00 158 A 8.34 4.04 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 0.00 159 Q 8.37 3.91 0.00 2.26 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 160 A 8.16 4.02 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 0.00 161 T 8.24 3.73 4.49 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 1.36 0.00 0.00 162 L 8.10 4.17 0.00 1.76 1.77 0.96 1.11 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 0.00 163 K 7.76 3.97 0.00 1.90 1.86 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 164 L 8.00 4.05 0.00 1.62 1.48 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 8.05 4.28 0.00 3.01 2.91 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 0.00 166 S 8.34 4.17 0.00 4.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.48 4.18 0.00 1.77 1.72 0.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 168 G 7.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.35 4.06 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 1.09 0.00 0.00 0.85 0.00 0.00 170 H 8.80 4.75 0.00 3.56 3.79 0.00 5.94 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 S 8.27 4.95 0.00 3.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 V 8.49 4.84 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 0.68 0.00 0.00 -0.03 0.00 0.00 173 I 8.36 4.68 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 0.89 0.00 0.00 174 D 8.70 4.52 0.00 2.59 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 0.00 175 H 7.44 4.64 0.00 3.48 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 L 8.03 4.35 0.00 1.64 1.77 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.37 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 0.00 0.00 0.00 178 E 8.01 4.43 0.00 2.04 1.92 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 2.03 2.31 0.00 179 L 7.70 3.86 0.00 1.86 1.74 0.81 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.14 3.86 0.00 2.06 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 0.00 2.38 2.41 0.00 181 S 7.98 4.16 0.00 3.89 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 0.00 182 C 7.97 4.04 0.00 3.06 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 0.00 183 L 8.23 3.73 0.00 1.60 1.11 0.61 0.02 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 0.00 184 A 8.09 4.07 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 0.00 185 D 8.02 4.31 0.00 2.94 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 0.00 186 I 7.80 3.33 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.35 -0.06 0.00 0.00 187 A 8.16 3.77 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 0.00 188 L 7.77 3.86 0.00 1.79 1.84 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 189 R 8.08 3.96 0.00 1.94 2.25 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 190 R 8.50 4.34 0.00 1.88 1.94 0.00 2.70 0.00 0.00 2.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.22 0.00 191 S 8.01 4.14 0.00 4.01 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 0.00 192 K 7.56 4.31 0.00 1.94 1.91 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.62 7.81 193 G 8.07 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 0.00 0.00 0.00 194 E 8.39 4.21 0.00 2.20 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 0.00 2.55 2.41 0.00 195 K 8.17 4.76 0.00 1.67 1.56 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.63 7.81 196 P 0.00 3.18 0.00 1.63 1.39 0.00 3.40 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.44 0.00 * Residues marked with a * may have inaccurate shift predictions.