NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7990 8.3393 109.7363 45.3466 0.0000 173.8955 *2 Q 4.1023 7.6596 117.7961 55.0402 29.6813 174.9734 3 T 3.9927 8.2826 116.9893 62.9788 69.2877 172.7594 4 P 4.6467 0.0000 0.0000 62.7113 33.4365 174.6017 5 A 5.0861 8.8608 122.6707 50.6266 21.2288 175.9400 6 L 4.7320 8.7871 124.1496 53.4458 44.3876 175.3159 7 I 4.7506 8.7787 129.0311 60.1360 38.8450 174.8898 8 I 4.4237 8.6339 129.6029 59.6097 39.2964 175.0602 9 V 4.8003 8.4578 127.3867 61.5648 33.5883 174.1997 10 T 5.8638 9.7148 122.2657 58.5241 71.0425 172.4479 11 G 4.5903 8.1865 113.7791 44.5401 0.0000 172.0513 12 H 4.3544 7.8492 117.9285 54.3869 29.5052 173.5129 13 P 4.2816 0.0000 0.0000 64.2582 31.2777 176.8839 14 A 3.7784 8.7987 123.4443 52.7164 16.3765 179.1653 15 T 3.8706 7.6799 106.3273 62.8484 69.3256 176.2969 16 G 4.0604 7.8699 111.8437 45.2010 0.0000 175.4080 17 K 3.8864 7.9885 120.4044 60.2900 32.1943 178.9748 18 T 3.8113 7.7854 116.2755 66.8800 68.4895 176.4562 19 T 3.8514 7.7847 116.9030 66.5387 68.5883 176.3632 20 L 3.9499 8.0812 122.4670 58.2055 42.1674 179.1899 21 S 4.1698 8.3847 114.5744 61.5650 62.8753 176.5116 22 Q 3.9698 8.2115 121.4710 58.5892 28.3588 178.4228 23 A 4.0225 8.1814 121.8809 55.1832 18.3264 179.7066 24 L 3.9333 8.0785 117.2360 57.8324 41.7108 179.6028 25 A 3.9891 8.1475 120.7252 55.5045 18.2052 179.9214 26 T 3.9613 8.1234 114.3948 66.7806 68.3456 177.4499 27 G 3.5467 8.3127 109.0962 47.8114 0.0000 174.3021 28 L 4.2734 8.1393 117.8721 53.7220 42.9828 176.0196 29 R 3.8492 7.3575 117.7199 57.6574 28.4077 174.8652 30 L 4.9851 7.8859 116.7030 52.1423 45.9708 176.9162 31 P 4.5074 0.0000 0.0000 62.6072 32.9055 175.1071 32 L 5.0296 8.3848 123.5635 53.4133 44.5563 175.3748 33 L 4.6033 8.9086 127.4732 53.0805 43.3618 176.0279 34 S 4.6461 8.0904 118.6546 55.7084 64.8517 173.9882 35 K 3.5325 8.5095 129.1782 59.9909 31.9277 178.7220 36 D 4.3511 7.9547 118.1021 57.1450 40.8459 178.5154 37 A 4.0638 7.8056 121.6000 55.1906 18.1856 179.6982 38 F 4.1423 8.1955 115.2355 60.6127 39.0365 177.5677 39 K 3.6462 8.0770 117.2644 59.5575 32.1543 178.8338 40 E 4.0952 8.1799 118.5833 59.1602 29.3139 180.0485 41 V 3.5175 7.3942 114.4458 63.7083 31.2720 177.5125 *43 F 5.6328 7.8978 116.8921 57.5658 40.7179 177.2347 44 D 4.7175 8.4719 119.2116 57.0747 40.8547 177.9321 45 G 3.8774 8.2144 107.2724 47.1438 0.0000 174.4953 46 L 4.4389 8.1877 117.4519 54.1149 42.9051 176.8300 47 G 3.9452 9.2372 105.0717 44.6298 0.0000 171.9664 48 W 5.5022 7.2923 114.5551 55.0683 31.7348 174.1458 49 S 4.6043 8.6987 115.9781 58.2924 69.8534 175.7861 50 D 5.0942 8.6568 127.5988 51.9470 43.4133 177.8069 51 R 4.0478 8.6318 119.1899 61.6082 29.1662 174.2919 52 E 4.1760 8.2644 119.2370 59.1241 29.6722 178.6127 53 W 4.3931 8.6249 128.3972 60.6265 30.7854 177.7619 54 S 4.3670 8.4455 113.1742 61.3859 61.7487 176.1390 55 R 3.9633 8.3611 121.6168 59.5122 29.9031 178.6650 56 R 3.7848 7.8728 117.7733 59.2737 30.0598 179.2251 57 V 3.2706 7.5839 118.3784 65.6496 31.3961 178.2486 58 G 3.5087 8.1921 105.4523 47.7545 0.0000 175.4973 59 A 4.0058 7.8442 122.3414 55.1903 18.4539 179.6000 60 T 3.9336 7.7417 113.0525 66.5939 68.5586 176.4854 61 A 4.3342 8.1146 122.2887 54.4385 19.7654 178.8095 62 I 3.7770 7.5875 119.7321 61.7246 34.1333 176.2884 *65 L 4.1028 7.8137 123.0271 54.7728 44.0402 179.2274 66 Y 4.0576 7.9321 116.1251 60.9859 37.7627 177.8889 67 H 4.1535 8.3727 118.8270 59.8056 30.1594 177.3910 68 T 4.0314 8.0721 116.7788 66.4886 68.3055 176.3905 69 A 3.9684 8.4268 122.9222 55.0855 18.2656 179.4435 70 A 3.9616 7.9836 119.1501 55.7796 18.2694 179.8535 71 T 3.9842 7.3282 108.8977 64.9984 67.6580 176.5514 72 I 3.8883 7.6401 121.5346 64.3913 37.1709 178.3253 73 L 4.1910 8.2224 120.1570 58.0013 41.2133 179.6395 74 Q 4.0513 8.2282 117.5181 58.6008 28.7061 178.1790 75 S 4.4513 7.6400 112.4974 58.6994 63.4365 175.0732 76 G 3.8893 8.1679 111.2228 45.3804 0.0000 172.7870 77 Q 4.5298 7.1250 121.2887 54.6173 30.0730 175.7782 78 S 4.7879 8.6472 122.2210 58.7480 64.1721 172.9315 79 L 4.6020 8.4467 120.9233 55.2413 44.5277 173.9848 80 I 5.3553 8.2551 119.9274 58.5125 41.2266 173.9126 *82 E 4.8777 8.3842 121.8491 57.0419 30.9582 174.9090 83 S 4.3707 8.0555 119.4032 57.5055 65.9589 174.1844 84 N 5.1151 7.9902 121.1967 50.3638 35.1631 174.7226 85 F 4.3721 8.3054 122.9721 58.3716 40.2467 175.7626 86 R 4.6204 9.4463 123.6650 54.2173 32.0321 177.3244 87 V 3.6129 8.5730 123.9827 66.3561 31.3214 177.6116 88 D 4.4524 8.1529 116.3113 55.3678 39.1402 177.1490 89 L 4.5716 7.8260 119.3121 55.9928 43.5167 177.6843 90 D 4.6883 8.7733 117.0857 56.1213 41.0541 178.6540 91 T 4.0260 7.4406 116.5476 66.7340 68.8173 175.7816 92 E 4.4042 7.9947 121.9561 58.5655 29.6373 179.2236 93 R 3.8609 7.3663 113.9706 56.8806 29.3359 178.4229 *95 Q 4.2973 8.2346 118.9243 56.2186 30.2922 177.5137 96 N 4.4315 8.5819 115.6211 56.0272 38.3390 177.2462 97 L 4.0688 8.2303 121.9287 58.5958 42.0624 178.4387 98 H 4.1097 8.5329 116.2925 59.6099 29.7209 176.7400 99 T 4.0329 7.7099 116.5557 66.3606 68.4515 175.9666 100 I 4.2796 7.3626 111.2420 61.3552 39.3884 176.5299 101 A 4.6887 8.0381 122.9926 49.9223 20.1894 173.4129 102 P 3.8631 0.0000 0.0000 62.5864 32.2677 175.6769 103 F 5.1593 7.2983 115.0416 56.1226 41.6650 173.4368 104 T 4.7124 8.9197 116.1485 61.1225 70.4404 172.2743 105 P 5.1743 0.0000 0.0000 62.6558 32.8918 175.8690 106 I 4.6346 8.7617 122.4271 59.7286 40.9338 173.8816 107 Q 5.1130 9.1424 128.4400 54.2564 31.9635 174.1114 108 I 4.7996 8.9499 126.8594 59.5719 40.4283 174.1898 109 R 4.9459 8.7739 128.3564 54.7754 32.0156 174.4819 110 C 5.0555 9.0977 124.9032 58.9448 29.5025 173.5846 111 V 4.6666 8.6368 115.3843 60.0452 35.8568 174.2227 112 A 4.7914 8.1143 122.1401 50.8714 22.1713 176.4849 113 S 4.1978 8.2377 114.8703 57.7794 64.0889 175.8147 114 G 3.8951 8.7155 110.9296 47.5167 0.0000 175.5936 115 D 4.3538 7.9893 120.4259 57.3472 40.8693 178.9911 116 V 3.5981 7.4467 118.3091 65.7932 31.3638 178.1219 117 L 3.9361 7.9623 119.0259 57.5011 41.4433 179.5921 118 V 3.5907 8.0043 120.6682 66.6048 31.4639 178.3166 119 E 3.9612 8.0760 118.0659 61.4142 29.5057 181.2476 120 R 4.0957 8.1702 119.3106 59.0244 30.1514 179.2418 121 I 3.6597 8.0102 119.8737 64.4791 37.1914 178.5564 122 L 3.9824 8.4718 120.0641 57.7015 41.5453 179.5139 123 S 4.0651 8.4181 113.5011 61.5545 60.8907 176.5287 124 R 4.0094 8.6402 123.5869 59.8967 29.5235 179.8079 125 I 3.9601 7.8107 119.7889 64.9318 35.2557 180.2101 126 A 4.3130 7.9577 123.5168 55.2915 18.3325 179.8163 127 Q 4.1800 7.9760 117.5753 57.2583 28.6234 180.4121 128 G 4.0864 7.6220 105.5475 47.4825 0.0000 174.6185 129 A 4.3797 7.3270 121.1386 52.9058 20.4881 179.1036 130 R 3.8927 7.8335 115.4584 56.4269 30.3118 175.5972 131 H 3.9610 8.9104 124.6794 55.7674 30.5095 174.2232 132 P 4.0796 0.0000 0.0000 65.3540 31.3722 178.6857 133 G 2.5221 6.9615 106.7347 47.6760 0.0000 174.2709 134 H 4.2580 7.3040 115.8471 56.9654 29.2225 175.4082 135 C 4.1165 7.4056 114.6300 60.6493 25.9146 173.7524 136 D 4.3720 7.9782 120.2404 54.6624 41.3323 177.5375 137 D 4.4133 8.9181 125.6510 54.7524 39.9867 173.8879 138 R 4.7489 8.4172 120.5406 53.9760 31.6318 172.6557 139 S 4.4545 8.1265 114.1230 58.4601 64.9042 173.1520 140 P 4.1883 0.0000 0.0000 66.0275 31.0618 178.8202 141 A 3.9951 7.9421 118.8320 55.1433 18.3372 179.2726 142 D 4.3634 8.1899 120.0032 58.1773 40.9340 179.6834 143 L 4.1141 8.4111 125.6374 60.0195 40.7757 181.6413 144 E 4.2422 8.5755 119.1543 60.7727 29.5972 181.5913 145 L 4.1284 7.9038 120.4258 58.2779 41.9657 179.1763 146 V 3.5499 7.6586 117.1749 66.0122 31.5602 177.6882 147 R 4.0419 8.1664 118.7733 58.3633 28.6452 177.5933 148 S 4.6183 7.7562 112.1137 58.5253 63.7048 175.9663 149 R 4.0461 7.5842 122.1980 57.5782 30.0170 176.8846 150 G 3.8725 7.4657 103.0945 44.4201 0.0000 172.1776 151 D 4.6027 8.2105 117.8995 53.3371 41.5441 176.6287 152 I 3.7013 8.0136 123.1960 60.1665 38.5684 174.0476 153 P 4.3657 0.0000 0.0000 61.8797 31.7734 174.5762 154 P 4.5831 0.0000 0.0000 61.9296 32.4237 175.5498 155 L 4.2830 8.6828 120.1441 53.7417 42.5307 176.9731 156 P 4.6057 0.0000 0.0000 61.9487 29.6713 175.9972 157 L 4.2422 7.7072 118.7478 54.7292 42.9204 178.1398 158 G 3.7134 8.1799 107.3977 45.2743 0.0000 173.2121 159 G 3.8571 8.4581 107.4468 43.5843 0.0000 171.2504 160 P 4.6287 0.0000 0.0000 62.8000 32.7707 175.3897 161 L 5.3183 8.5835 122.6848 53.6844 45.1335 174.6440 162 L 4.2513 8.7294 128.6867 53.3542 44.2862 174.8413 163 T 4.7276 8.2750 122.9920 62.0825 70.0616 174.0070 164 V 4.1380 8.6409 127.8857 61.0721 33.5641 173.9600 165 D 5.0224 8.7075 128.7647 53.6735 41.5511 175.5769 166 T 4.3860 8.9288 116.1701 61.9021 69.0954 175.6426 167 T 3.6007 7.9521 120.6782 66.3927 68.6758 174.3103 168 F 4.8117 7.3959 121.8805 54.6012 39.2614 173.8130 169 P 4.3221 0.0000 0.0000 65.7922 31.7366 179.9981 170 E 4.0105 8.4313 116.6837 58.9603 29.7591 182.0074 171 Q 4.6158 7.9618 114.1134 55.0152 28.2506 179.2185 172 I 4.4027 7.3754 119.4829 60.7317 38.5552 175.1049 173 D 4.7562 8.2596 123.7084 52.7584 43.3939 176.3311 *175 N 4.6517 8.4636 118.1303 53.2710 40.6772 177.1311 176 A 4.0433 7.9611 119.1682 55.2089 18.2779 179.7988 177 I 3.7420 7.5857 118.3412 64.4625 37.0552 178.8980 178 V 3.7088 7.7898 118.7594 66.0545 31.4955 177.9798 179 Q 4.0150 8.4921 118.1761 58.5576 28.1529 178.3938 180 W 4.1182 8.6762 129.8627 60.4908 30.7585 178.2647 181 V 3.6118 8.0018 117.8453 66.1070 31.0757 177.8538 182 R 3.9774 8.3912 120.6723 60.3726 29.9653 179.6115 183 Q 3.9321 8.0102 119.9664 60.5473 28.1054 180.1296 184 H 4.2787 7.4997 116.7937 58.2582 28.3896 177.9952 185 L 4.0422 7.7212 122.9359 58.4528 41.3954 179.8160 186 Q 4.2009 8.2808 123.1215 60.9520 27.8448 181.2433 187 S 4.5322 8.0060 119.8850 62.9013 62.3822 178.4205 188 G 3.9768 8.0315 109.4002 47.8780 0.0000 174.4326 189 T 4.1573 7.3460 116.3714 61.0129 68.5505 179.5148 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 0 G 8.34 3.80 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 0.00 0.00 0.00 *2 Q 7.66 4.10 0.00 2.46 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.87 0.00 0.00 0.00 0.00 0.00 2.22 1.96 0.00 3 T 8.28 3.99 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 1.20 0.00 0.00 4 P 0.00 4.65 0.00 2.22 2.27 0.00 3.84 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 2.14 2.21 0.00 5 A 8.86 5.09 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 6 L 8.79 4.73 0.00 1.37 1.13 0.66 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.78 4.75 1.95 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 1.25 0.74 0.95 0.00 0.00 8 I 8.63 4.42 1.73 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.50 0.00 0.00 9 V 8.46 4.80 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.95 0.00 0.00 10 T 9.71 5.86 4.46 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 1.35 0.00 0.00 11 G 8.19 4.59 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 0.00 0.00 0.00 12 H 7.85 4.35 0.00 3.19 3.19 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.28 0.00 2.01 1.95 0.00 3.75 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 2.01 2.06 0.00 14 A 8.80 3.78 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 15 T 7.68 3.87 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 1.25 0.00 0.00 16 G 7.87 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 17 K 7.99 3.89 0.00 1.97 2.08 0.00 1.55 0.00 0.00 1.97 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.50 7.81 18 T 7.79 3.81 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 19 T 7.78 3.85 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 1.21 0.00 0.00 20 L 8.08 3.95 0.00 1.83 1.65 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.38 4.17 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 22 Q 8.21 3.97 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 23 A 8.18 4.02 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 24 L 8.08 3.93 0.00 1.92 1.76 0.96 0.72 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 25 A 8.15 3.99 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 26 T 8.12 3.96 4.37 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 1.22 0.00 0.00 27 G 8.31 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.14 4.27 0.00 1.71 1.73 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.36 3.85 0.00 2.04 1.94 0.00 3.20 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 30 L 7.89 4.99 0.00 1.53 1.51 0.93 0.87 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 31 P 0.00 4.51 0.00 2.08 1.98 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 32 L 8.38 5.03 0.00 1.58 1.52 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.91 4.60 0.00 1.31 1.20 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.09 4.65 0.00 3.73 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 0.00 35 K 8.51 3.53 0.00 1.54 1.58 0.00 1.57 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.32 7.81 36 D 7.95 4.35 0.00 2.68 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 37 A 7.81 4.06 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 38 F 8.20 4.14 0.00 2.93 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 39 K 8.08 3.65 0.00 1.81 1.38 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.24 1.59 7.81 40 E 8.18 4.10 0.00 2.18 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 2.32 2.58 0.00 41 V 7.39 3.52 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 0.95 0.00 0.00 0.93 0.00 0.00 *43 F 7.90 5.63 0.00 3.19 3.24 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 44 D 8.47 4.72 0.00 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0.00 1.16 0.00 0.00 61 A 8.11 4.33 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 62 I 7.59 3.78 2.06 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 1.40 0.63 1.15 0.00 0.00 *65 L 7.81 4.10 0.00 1.76 1.36 -0.31 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.93 4.06 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 H 8.37 4.15 0.00 3.33 3.40 0.00 5.87 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 68 T 8.07 4.03 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 1.31 0.00 0.00 69 A 8.43 3.97 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 70 A 7.98 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.33 3.98 4.20 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 1.27 0.00 0.00 72 I 7.64 3.89 1.99 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 1.53 1.03 0.94 0.00 0.00 73 L 8.22 4.19 0.00 1.76 1.79 0.89 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.23 4.05 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 75 S 7.64 4.45 0.00 4.03 3.98 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 76 G 8.17 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 77 Q 7.12 4.53 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 78 S 8.65 4.79 0.00 3.80 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 79 L 8.45 4.60 0.00 1.70 1.70 0.83 1.01 0.00 0.00 0.00 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0.00 2.96 3.37 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.71 4.03 4.45 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 0.00 0.00 0.00 1.22 0.00 0.00 100 I 7.36 4.28 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.69 0.93 0.00 0.00 101 A 8.04 4.69 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 0.00 102 P 0.00 3.86 0.00 1.94 1.75 0.00 3.64 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 1.96 1.97 0.00 103 F 7.30 5.16 0.00 2.95 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 0.00 104 T 8.92 4.71 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 1.23 0.00 0.00 105 P 0.00 5.17 0.00 2.18 2.37 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 106 I 8.76 4.63 1.91 0.00 0.00 0.82 0.00 0.00 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0.00 0.00 0.00 123 S 8.42 4.07 0.00 3.89 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 0.00 124 R 8.64 4.01 0.00 1.85 1.93 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 125 I 7.81 3.96 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.73 0.91 0.00 0.00 126 A 7.96 4.31 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 0.00 127 Q 7.98 4.18 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 128 G 7.62 4.09 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 0.00 0.00 0.00 129 A 7.33 4.38 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 0.00 130 R 7.83 3.89 0.00 1.73 1.83 0.00 3.25 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 131 H 8.91 3.96 0.00 3.29 3.14 0.00 5.73 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.08 0.00 1.82 2.05 0.00 2.58 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 133 G 6.96 2.52 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 0.00 134 H 7.30 4.26 0.00 3.15 3.59 0.00 5.77 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 C 7.41 4.12 0.00 3.26 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 0.00 136 D 7.98 4.37 0.00 2.66 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 0.00 137 D 8.92 4.41 0.00 2.69 2.49 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 0.00 138 R 8.42 4.75 0.00 1.76 1.75 0.00 3.24 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 139 S 8.13 4.45 0.00 4.08 4.02 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 0.00 140 P 0.00 4.19 0.00 2.17 2.15 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 141 A 7.94 4.00 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 0.00 142 D 8.19 4.36 0.00 3.00 2.72 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 0.00 0.00 0.00 0.00 143 L 8.41 4.11 0.00 1.64 1.67 0.92 1.17 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 0.00 144 E 8.58 4.24 0.00 1.95 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 2.24 2.19 0.00 145 L 7.90 4.13 0.00 1.86 1.87 0.90 0.73 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 0.00 146 V 7.66 3.55 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 0.82 0.00 0.00 0.96 0.00 0.00 147 R 8.17 4.04 0.00 2.06 2.02 0.00 3.11 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 148 S 7.76 4.62 0.00 4.01 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 0.00 149 R 7.58 4.05 0.00 1.96 1.93 0.00 3.12 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 150 G 7.47 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 8.21 4.60 0.00 2.68 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 0.00 152 I 8.01 3.70 1.37 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.86 0.00 0.00 153 P 0.00 4.37 0.00 2.09 1.97 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 154 P 0.00 4.58 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 155 L 8.68 4.28 0.00 1.58 1.61 0.62 1.24 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 0.00 156 P 0.00 4.61 0.00 2.18 2.09 0.00 3.76 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 1.99 1.99 0.00 157 L 7.71 4.24 0.00 1.69 1.84 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.18 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 0.00 0.00 0.00 159 G 8.46 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 P 0.00 4.63 0.00 1.88 1.86 0.00 3.82 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.50 0.00 161 L 8.58 5.32 0.00 1.65 1.58 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.73 4.25 0.00 0.27 0.53 0.12 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 163 T 8.28 4.73 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 0.00 164 V 8.64 4.14 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 0.95 0.00 0.00 0.78 0.00 0.00 165 D 8.71 5.02 0.00 2.69 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 0.00 166 T 8.93 4.39 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 167 T 7.95 3.60 3.35 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 0.20 0.00 0.00 168 F 7.40 4.81 0.00 3.07 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 0.00 169 P 0.00 4.32 0.00 2.22 2.29 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 170 E 8.43 4.01 0.00 2.01 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 2.23 1.88 0.00 171 Q 7.96 4.62 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.18 0.00 172 I 7.38 4.40 2.02 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 1.19 1.21 0.90 0.00 0.00 173 D 8.26 4.76 0.00 2.67 2.52 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 *175 N 8.46 4.65 0.00 3.00 2.91 0.00 0.00 6.69 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 A 7.96 4.04 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 0.00 177 I 7.59 3.74 1.89 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 1.33 1.52 0.92 0.00 0.00 178 V 7.79 3.71 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 1.20 0.00 0.00 0.97 0.00 0.00 179 Q 8.49 4.02 0.00 2.42 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 180 W 8.68 4.12 0.00 3.52 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 0.00 181 V 8.00 3.61 2.34 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 1.04 0.00 0.00 1.29 0.00 0.00 182 R 8.39 3.98 0.00 2.06 1.97 0.00 3.44 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 183 Q 8.01 3.93 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 184 H 7.50 4.28 0.00 2.98 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 7.72 4.04 0.00 1.82 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 186 Q 8.28 4.20 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 187 S 8.01 4.53 0.00 3.72 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 0.00 188 G 8.03 3.98 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 0.00 0.00 0.00 189 T 7.35 4.16 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 * Residues marked with a * may have inaccurate shift predictions.