NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7632 8.2827 118.2208 52.4275 39.0312 174.7073 3 F 3.8082 8.7048 118.9120 59.6839 39.2001 171.9743 4 V 3.5326 8.6874 119.6422 64.8793 31.4469 177.6010 5 E 3.8927 8.6083 119.2931 58.8806 29.3429 179.0287 6 L 3.8058 7.8209 120.1874 58.1549 41.9764 178.9803 7 A 3.8412 7.4526 119.6091 54.8669 18.3377 179.5011 8 K 4.0752 8.2174 117.5091 59.3134 31.9312 179.4147 9 K 3.9520 8.0260 119.2054 58.3863 32.4798 177.5470 10 R 3.9439 7.3227 118.8262 56.7162 30.0983 174.7848 11 Y 4.8275 7.6612 121.2530 55.5606 41.3299 173.6620 12 S 4.7995 8.6529 116.2366 57.6094 63.3301 173.4392 13 C 4.5734 8.5818 126.9045 57.9821 32.3571 173.3310 14 R 4.1738 8.2148 123.8880 55.4134 31.1499 174.9515 15 N 4.8238 7.3368 115.5672 52.0529 41.8781 172.5430 16 Y 5.2659 8.4696 121.1807 55.9059 40.2049 176.2545 17 Q 4.4108 9.3174 122.7691 55.8308 29.9568 177.1952 18 D 4.2464 8.8172 119.9074 56.1002 41.1600 177.2466 19 R 4.0063 7.3431 120.5705 56.1247 30.4385 176.4428 20 K 4.3185 8.4510 124.4986 55.8680 32.9976 176.6138 21 V 4.0035 8.1277 121.2103 62.2661 32.3144 176.4979 22 E 4.1501 8.8316 126.9431 56.0162 31.1775 177.6543 23 K 3.8103 8.7921 124.0690 59.9093 31.7648 178.4273 24 E 3.9636 8.2221 118.7430 59.3788 29.4955 178.9330 25 K 4.0095 7.9686 117.8872 59.1325 32.2287 178.7387 26 L 3.9133 8.0072 120.6882 58.4721 42.0017 178.9252 27 E 3.9465 8.6159 118.6434 59.4002 29.1260 179.5827 28 K 4.1223 7.5662 117.1369 59.3576 31.8684 179.2336 29 V 3.7266 7.9156 118.5029 66.1119 31.6006 178.1608 30 L 4.0195 8.1541 118.8305 57.7908 41.5136 179.0676 31 D 4.4101 8.2242 118.9607 57.5768 40.7932 179.1292 32 V 3.8427 7.6467 110.9589 63.4462 31.3794 178.3399 33 A 4.0028 7.5770 119.9383 54.6869 18.1815 179.2319 34 R 4.0441 7.7696 116.1491 59.4832 30.5368 178.2303 35 I 3.7800 7.5257 117.8680 63.1421 37.4645 176.8297 36 A 3.9156 7.3517 121.7809 51.7825 18.7157 175.3520 37 P 4.6156 0.0000 0.0000 62.4597 32.8290 175.7386 38 T 4.7552 7.9751 108.5695 59.3626 72.1112 173.4874 39 G 3.7088 9.3864 113.0168 47.1890 0.0000 174.2877 40 G 3.5303 8.7678 110.7090 45.1545 0.0000 172.5810 41 N 4.2377 8.1576 115.0726 54.1744 37.9389 175.7836 42 R 3.9631 8.0457 116.7261 56.9136 30.8717 176.9426 43 Q 3.9094 8.2121 115.7202 55.3841 26.3998 171.8903 44 P 4.7541 0.0000 0.0000 63.2079 33.5747 177.6768 45 Q 4.6547 7.8905 120.0793 56.4002 30.5005 175.1051 46 R 4.7189 9.1092 122.2449 54.9770 33.3860 173.3809 47 L 5.1361 8.6083 126.0462 52.9766 44.5118 175.9807 48 I 4.3539 8.4390 123.7213 59.3790 39.9059 174.8658 49 V 4.0461 8.3741 128.0222 62.3382 32.4915 175.1356 50 I 4.6422 8.9261 129.4400 59.6963 39.5184 176.0755 51 Q 4.6258 8.7745 121.9052 54.7436 30.7162 174.8805 52 E 4.6726 7.7798 118.4656 54.2374 33.2656 176.3047 53 K 3.8243 8.4512 121.1663 59.9160 32.1586 178.3910 54 E 3.9731 8.2180 118.9207 59.3657 29.5127 178.9298 55 G 3.6365 8.0041 105.1831 47.6984 0.0000 175.5455 56 I 3.7243 8.1013 122.6083 64.3967 36.9577 178.2666 57 N 4.3339 8.2144 116.0865 56.0939 38.7143 177.3581 58 K 4.0213 8.1723 119.8843 59.5158 32.1254 179.0901 59 L 4.1073 8.2931 119.3521 58.2853 41.4097 179.9195 60 S 4.6700 7.9853 114.5036 60.4844 62.7552 176.4737 61 K 4.1432 7.8699 120.0122 58.2112 32.0725 177.9323 62 A 4.6996 8.3014 120.1542 51.6977 20.3513 175.7880 63 A 4.7286 6.9445 117.9995 51.1137 22.0542 174.8601 64 N 4.5439 8.5774 119.0668 53.1006 38.7213 174.5647 65 I 4.1183 8.1173 118.5554 59.9793 37.9681 175.3111 66 Y 4.0064 8.4187 116.5002 59.9097 35.7930 169.9295 67 D 4.4275 8.6027 114.0490 54.8990 38.8203 174.1050 68 A 3.5755 7.8542 121.1035 51.6088 18.6258 177.2250 69 P 4.4579 0.0000 0.0000 64.0886 32.0200 176.0598 70 L 4.9289 7.3306 120.7399 53.5017 45.8205 174.3644 71 A 4.9014 8.9568 126.2207 50.1883 23.0729 174.7473 72 I 4.6979 8.6359 121.9840 59.2445 40.3222 174.5749 73 L 4.1782 8.5295 130.4312 54.2655 43.2621 175.4701 74 V 4.3939 8.6539 127.7718 61.6462 33.0650 174.3735 75 C 5.1128 9.2682 126.5030 58.2492 31.0590 173.0219 76 G 4.3371 8.9265 108.4285 44.5477 0.0000 171.9666 77 D 5.3543 9.0001 125.2143 52.4000 41.8297 177.0713 78 K 4.2684 9.1008 126.3316 58.4061 32.8810 177.7831 79 D 4.5645 8.4559 119.3385 55.7205 41.1767 177.0203 80 K 4.4388 7.7668 117.9471 57.1475 33.9478 177.5872 81 V 3.8307 7.6138 116.7873 61.2015 32.1266 175.4460 82 W 4.4039 8.7650 131.8923 57.9046 31.9700 174.5553 83 T 4.6556 7.3837 122.3404 61.3914 70.7262 173.6013 84 R 2.9214 8.4240 127.7531 54.6708 30.6157 175.7450 85 P 4.0518 0.0000 0.0000 65.5056 31.7829 177.7083 86 F 4.4773 7.7148 117.3485 60.0457 38.8575 175.4878 87 D 4.6628 7.6393 114.2817 51.9732 40.7894 175.8080 88 G 3.7704 8.4239 107.5401 45.9267 0.0000 173.8891 89 K 4.0455 8.1283 121.8695 56.1864 32.7006 175.8912 90 Q 5.0033 8.3830 124.5619 54.5956 30.8247 174.9751 91 L 4.6543 8.3515 120.2802 55.5960 42.0806 179.3832 92 T 3.9189 8.1094 118.5525 67.1060 68.4468 176.0446 93 D 4.5166 8.0945 120.1235 56.9914 40.8614 178.8656 94 I 3.7822 7.5917 120.0737 64.4349 37.5099 177.6750 95 D 4.4120 8.5343 120.2874 57.9030 40.7138 179.3622 96 T 3.9919 7.8365 109.4111 64.6592 68.6897 176.7049 97 S 4.5196 8.0560 117.8029 61.2047 62.8853 176.4202 98 I 3.7787 8.0707 122.8537 64.3926 36.6689 178.3423 99 V 3.5327 7.3652 117.0251 66.5519 31.4175 177.8823 100 T 3.7698 7.8172 113.9224 66.3517 68.2095 175.8776 101 D 4.8365 8.4662 119.3628 57.4161 42.9265 176.1621 102 H 4.2220 8.4021 118.3477 56.0404 26.0821 175.5047 *105 L 4.2440 7.5474 123.2774 54.8218 44.2395 179.7219 106 Q 3.9175 8.4617 117.9921 59.0224 29.3346 177.4696 107 A 4.1210 8.0820 121.3667 55.8211 18.4236 179.5708 108 T 3.9453 7.8350 113.3644 66.8398 68.3603 176.3098 109 E 4.0185 7.9865 120.0036 58.7574 29.6376 177.8355 110 L 4.5234 7.5131 116.5370 54.1941 41.9062 177.4805 111 G 4.0070 7.8983 106.7521 45.3527 0.0000 173.7193 112 L 4.1625 7.4455 118.7299 53.7647 42.5422 176.6763 113 A 4.4002 8.6105 125.5746 51.9814 19.8489 176.4398 114 S 5.4559 8.2201 111.9477 58.5846 66.6296 173.7798 115 V 4.8625 8.1136 119.1163 59.9966 34.6887 173.6010 116 W 4.8152 9.0482 134.3285 57.1218 31.8509 175.2929 117 V 4.6964 9.4580 126.7798 61.8322 33.3076 175.3771 118 C 4.8432 9.2981 124.4374 59.9703 29.8864 174.3929 119 Y 4.1646 7.9380 122.5162 55.8533 36.7117 173.6380 120 F 5.1537 6.8932 116.2270 54.6236 41.9920 174.8773 121 N 4.6688 9.0013 121.1111 51.9306 38.5691 174.1342 122 P 4.7185 0.0000 0.0000 65.8830 31.5646 178.1230 123 D 4.4378 8.2361 118.6356 57.3330 40.7128 178.4960 124 I 3.7860 8.2758 120.3836 64.2905 37.0941 178.5426 125 I 3.8643 7.8017 120.4075 64.4915 37.0053 178.3698 126 R 3.9574 8.4979 119.9410 59.3708 29.8828 178.2373 127 E 3.9143 8.3680 118.9562 59.5210 29.5573 178.6830 128 E 3.8917 8.3897 117.4785 58.4887 29.5044 178.3830 129 F 4.4907 8.0281 114.7339 55.7775 40.3271 175.8388 130 S 3.7581 7.7033 113.6261 59.4564 60.8001 172.9591 131 L 4.2071 7.9382 119.1890 53.7419 42.6139 176.4052 132 P 4.5571 0.0000 0.0000 62.3264 32.0904 177.0647 133 D 4.4716 8.5302 118.7931 56.7630 40.9695 177.4349 134 N 4.5425 8.1319 115.5720 53.6234 38.1029 173.9552 135 L 5.0769 7.8105 119.9885 53.1162 43.3588 175.3488 136 E 4.7704 8.9986 125.9974 53.5860 31.9285 172.9572 137 P 4.6236 0.0000 0.0000 63.2650 31.7528 174.7584 138 I 4.5582 8.9019 124.3456 62.4841 38.8966 175.6357 139 N 5.3843 8.0552 118.0693 51.4226 43.0091 172.9312 140 I 4.5947 8.6788 122.8305 59.4292 40.0795 174.1994 141 L 4.7695 8.5974 130.1542 53.5240 43.7574 175.8500 142 L 4.8626 8.0358 126.4239 52.6392 44.6367 175.4708 *144 G 4.1340 8.0618 104.3277 46.6820 0.0000 170.5626 145 Y 5.0218 8.5368 117.9321 55.6528 40.9141 175.1847 146 E 4.3916 9.1091 125.6300 57.0946 29.6635 176.5712 147 S 4.6106 8.8371 120.9446 57.9882 64.2137 175.4742 148 K 4.5691 8.5986 119.9408 56.6983 31.7885 176.8907 149 I 4.3694 8.1122 128.6848 59.4668 38.5942 173.7063 150 P 3.9510 0.0000 0.0000 61.7293 31.7024 176.0816 151 E 3.8085 5.9334 119.0310 55.9821 30.1114 176.7859 152 S 4.2512 8.1440 115.8304 57.3045 63.0446 173.3479 153 P 4.8960 0.0000 0.0000 64.1671 31.3060 176.5291 154 E 4.7412 7.9109 118.9878 56.1870 30.0006 177.2265 155 R 4.1185 7.7086 117.3581 58.3276 30.3088 178.2103 156 H 4.4236 8.0579 115.4825 57.9189 29.0087 176.8764 157 E 3.9697 8.3333 119.5190 58.7016 29.4907 177.6160 158 K 4.2798 8.0605 116.9746 57.3475 32.9822 177.3314 159 T 4.5181 7.6799 106.6299 61.1547 69.4281 173.7648 160 R 4.8278 7.7555 120.0422 54.4439 34.0432 175.5386 161 V 3.9067 8.1497 113.8569 60.2720 32.6051 174.5786 162 P 4.3801 0.0000 0.0000 62.5049 32.1062 177.2705 163 L 3.9635 8.8313 123.2665 58.6775 41.6292 179.6474 164 S 4.2782 8.0472 111.7136 60.8246 62.9587 175.3977 165 E 4.2580 8.1738 121.5042 57.4406 29.5332 176.8806 166 I 4.3505 7.7010 110.1961 60.1467 38.6961 175.4744 167 V 4.2902 7.6371 120.9290 61.0449 33.5248 174.2101 168 S 4.8288 8.2122 119.6594 56.6573 66.2549 171.9106 169 Y 4.6456 8.3909 117.7636 57.1659 39.6511 175.9867 170 E 4.2306 9.2846 129.1761 56.9000 28.5856 174.2298 171 T 4.7384 7.3275 104.8393 58.9540 72.1763 173.6131 172 L 4.4034 8.4384 119.6069 54.6600 41.5922 177.4864 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 N 8.28 4.76 0.00 3.02 3.09 0.00 0.00 5.76 7.23 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 3 F 8.70 3.81 0.00 3.31 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 4 V 8.69 3.53 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 0.93 0.00 0.00 0.92 0.00 0.00 5 E 8.61 3.89 0.00 2.23 2.01 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 2.32 2.38 0.00 6 L 7.82 3.81 0.00 1.74 1.46 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.45 3.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.22 4.08 0.00 1.98 2.06 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.47 7.81 9 K 8.03 3.95 0.00 1.84 2.05 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.51 7.81 10 R 7.32 3.94 0.00 1.83 2.00 0.00 3.34 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 11 Y 7.66 4.83 0.00 3.13 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 12 S 8.65 4.80 0.00 3.93 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 13 C 8.58 4.57 0.00 2.48 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 14 R 8.21 4.17 0.00 1.38 0.69 0.00 2.98 0.00 0.00 2.72 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.35 0.00 15 N 7.34 4.82 0.00 2.70 2.63 0.00 0.00 6.87 7.48 0.00 0.00 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 8.47 5.27 0.00 2.95 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 17 Q 9.32 4.41 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 18 D 8.82 4.25 0.00 2.70 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 19 R 7.34 4.01 0.00 1.71 1.99 0.00 3.00 0.00 0.00 2.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 20 K 8.45 4.32 0.00 1.83 1.76 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.39 7.81 21 V 8.13 4.00 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 0.78 0.00 0.00 0.85 0.00 0.00 22 E 8.83 4.15 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 23 K 8.79 3.81 0.00 1.82 1.83 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.52 7.81 24 E 8.22 3.96 0.00 2.08 1.96 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 2.39 2.42 0.00 25 K 7.97 4.01 0.00 1.99 1.84 0.00 1.97 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.54 7.81 26 L 8.01 3.91 0.00 1.74 1.83 0.88 0.85 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 27 E 8.62 3.95 0.00 2.00 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 2.33 2.44 0.00 28 K 7.57 4.12 0.00 1.92 1.88 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 29 V 7.92 3.73 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 0.99 0.00 0.00 0.98 0.00 0.00 30 L 8.15 4.02 0.00 1.87 1.68 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.22 4.41 0.00 2.90 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 32 V 7.65 3.84 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 0.91 0.00 0.00 1.05 0.00 0.00 33 A 7.58 4.00 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 34 R 7.77 4.04 0.00 1.81 2.13 0.00 3.24 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 1.59 1.70 0.00 35 I 7.53 3.78 1.90 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 1.46 0.78 0.94 0.00 0.00 36 A 7.35 3.92 1.10 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 37 P 0.00 4.62 0.00 2.16 2.03 0.00 3.58 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 1.94 1.93 0.00 38 T 7.98 4.76 4.40 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 1.23 0.00 0.00 39 G 9.39 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 40 G 8.77 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 4.24 0.00 2.76 2.82 0.00 0.00 7.11 7.20 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 42 R 8.05 3.96 0.00 1.92 2.14 0.00 3.69 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.03 0.00 43 Q 8.21 3.91 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 44 P 0.00 4.75 0.00 2.13 2.38 0.00 3.70 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 2.07 2.18 0.00 45 Q 7.89 4.65 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 46 R 9.11 4.72 0.00 1.86 1.73 0.00 3.07 0.00 0.00 3.15 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 47 L 8.61 5.14 0.00 1.46 1.46 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.44 4.35 1.58 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 1.03 0.56 0.86 0.00 0.00 49 V 8.37 4.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.88 0.00 0.00 50 I 8.93 4.64 1.90 0.00 0.00 0.54 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 0.75 0.95 0.00 0.00 51 Q 8.77 4.63 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 52 E 7.78 4.67 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 53 K 8.45 3.82 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.51 7.81 54 E 8.22 3.97 0.00 2.04 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 55 G 8.00 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 56 I 8.10 3.72 1.93 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 1.69 0.82 0.90 0.00 0.00 57 N 8.21 4.33 0.00 2.85 2.86 0.00 0.00 7.14 7.99 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 58 K 8.17 4.02 0.00 1.81 1.47 0.00 1.29 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.40 7.81 59 L 8.29 4.11 0.00 1.90 1.73 0.82 1.04 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 60 S 7.99 4.67 0.00 4.00 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 61 K 7.87 4.14 0.00 1.94 1.89 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.66 7.81 62 A 8.30 4.70 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 63 A 6.94 4.73 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 64 N 8.58 4.54 0.00 2.54 2.32 0.00 0.00 6.93 7.94 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 65 I 8.12 4.12 1.79 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 1.36 0.43 0.85 0.00 0.00 66 Y 8.42 4.01 0.00 3.43 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.60 4.43 0.00 2.93 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 68 A 7.85 3.58 0.62 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 0.00 0.00 69 P 0.00 4.46 0.00 2.20 2.21 0.00 3.37 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.14 0.00 70 L 7.33 4.93 0.00 1.67 1.38 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.96 4.90 1.08 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 0.00 0.00 72 I 8.64 4.70 1.72 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 1.02 0.74 0.78 0.00 0.00 73 L 8.53 4.18 0.00 1.33 1.18 0.49 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.65 4.39 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 0.91 0.00 0.00 0.73 0.00 0.00 75 C 9.27 5.11 0.00 2.94 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 76 G 8.93 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 9.00 5.35 0.00 2.72 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 78 K 9.10 4.27 0.00 1.88 1.93 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.41 7.81 79 D 8.46 4.56 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.77 4.44 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.45 7.81 81 V 7.61 3.83 2.24 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 0.71 0.00 0.00 1.09 0.00 0.00 82 W 8.77 4.40 0.00 3.40 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 7.38 4.66 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 84 R 8.42 2.92 0.00 1.76 1.87 0.00 3.53 0.00 0.00 3.61 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 85 P 0.00 4.05 0.00 1.83 1.90 0.00 3.53 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.73 0.00 86 F 7.71 4.48 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.64 4.66 0.00 2.74 2.75 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 88 G 8.42 3.77 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 0.00 0.00 0.00 89 K 8.13 4.05 0.00 2.07 1.74 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 90 Q 8.38 5.00 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.37 0.00 0.00 0.00 0.00 0.00 2.21 2.46 0.00 91 L 8.35 4.65 0.00 1.87 1.76 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.11 3.92 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 93 D 8.09 4.52 0.00 2.82 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 94 I 7.59 3.78 2.05 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 1.69 0.65 0.95 0.00 0.00 95 D 8.53 4.41 0.00 2.78 2.75 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 96 T 7.84 3.99 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 1.32 0.00 0.00 97 S 8.06 4.52 0.00 4.14 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 0.00 98 I 8.07 3.78 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 1.45 0.91 0.90 0.00 0.00 99 V 7.37 3.53 2.21 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 0.78 0.00 0.00 0.98 0.00 0.00 100 T 7.82 3.77 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 -0.16 0.00 0.00 101 D 8.47 4.84 0.00 3.10 3.06 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 0.00 102 H 8.40 4.22 0.00 3.53 3.32 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 L 7.55 4.24 0.00 1.94 1.82 1.21 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.46 3.92 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 107 A 8.08 4.12 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 0.00 108 T 7.83 3.95 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 1.25 0.00 0.00 109 E 7.99 4.02 0.00 1.99 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 0.00 2.34 2.37 0.00 110 L 7.51 4.52 0.00 1.81 1.69 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 G 7.90 4.01 0.00 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0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 128 E 8.39 3.89 0.00 1.92 1.57 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 0.00 2.52 2.45 0.00 129 F 8.03 4.49 0.00 3.17 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 0.00 130 S 7.70 3.76 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 L 7.94 4.21 0.00 1.69 1.62 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.56 0.00 2.42 2.19 0.00 3.71 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 133 D 8.53 4.47 0.00 2.69 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 0.00 134 N 8.13 4.54 0.00 2.99 3.11 0.00 0.00 6.16 6.67 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 0.00 135 L 7.81 5.08 0.00 1.56 1.63 0.91 0.60 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 0.00 136 E 9.00 4.77 0.00 2.04 1.82 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 2.27 2.27 0.00 137 P 0.00 4.62 0.00 2.09 1.98 0.00 3.85 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 2.21 2.09 0.00 138 I 8.90 4.56 2.03 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 1.45 0.98 1.10 0.00 0.00 139 N 8.06 5.38 0.00 2.31 2.15 0.00 0.00 6.82 7.30 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 0.00 140 I 8.68 4.59 1.83 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.11 0.77 0.00 0.00 141 L 8.60 4.77 0.00 1.37 1.31 0.87 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.04 4.86 0.00 1.66 1.35 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *144 G 8.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.54 5.02 0.00 3.02 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 0.00 146 E 9.11 4.39 0.00 2.03 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 2.36 2.59 0.00 147 S 8.84 4.61 0.00 3.95 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 0.00 148 K 8.60 4.57 0.00 1.80 1.35 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.34 7.81 149 I 8.11 4.37 1.79 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 1.43 0.51 0.83 0.00 0.00 150 P 0.00 3.95 0.00 1.95 2.10 0.00 3.32 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 151 E 5.93 3.81 0.00 1.43 1.70 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 1.81 2.17 0.00 152 S 8.14 4.25 0.00 3.78 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 0.00 153 P 0.00 4.90 0.00 2.23 2.18 0.00 3.35 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 154 E 7.91 4.74 0.00 1.96 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 2.24 2.35 0.00 155 R 7.71 4.12 0.00 1.86 2.15 0.00 2.69 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.37 0.00 156 H 8.06 4.42 0.00 3.29 3.43 0.00 6.11 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 0.00 157 E 8.33 3.97 0.00 1.91 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 2.30 2.41 0.00 158 K 8.06 4.28 0.00 1.90 1.82 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.35 7.81 159 T 7.68 4.52 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 1.22 0.00 0.00 160 R 7.76 4.83 0.00 1.97 1.83 0.00 3.34 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 1.61 1.79 0.00 161 V 8.15 3.91 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 0.70 0.00 0.00 0.93 0.00 0.00 162 P 0.00 4.38 0.00 2.18 1.98 0.00 3.75 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 2.12 2.08 0.00 163 L 8.83 3.96 0.00 1.76 1.71 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.05 4.28 0.00 4.09 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 0.00 165 E 8.17 4.26 0.00 2.15 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 2.33 2.31 0.00 166 I 7.70 4.35 1.85 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 1.25 0.67 0.90 0.00 0.00 167 V 7.64 4.29 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 0.54 0.00 0.00 0.91 0.00 0.00 168 S 8.21 4.83 0.00 4.04 3.91 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 0.00 169 Y 8.39 4.65 0.00 2.95 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 0.00 170 E 9.28 4.23 0.00 2.18 2.15 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 2.30 2.28 0.00 171 T 7.33 4.74 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 172 L 8.44 4.40 0.00 1.65 1.64 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.