NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.4939 8.0093 121.4066 61.2673 37.1927 173.9979 4 E 4.6781 9.3718 123.4922 53.9175 33.2226 174.5376 5 I 5.3134 8.0820 121.9017 59.0538 40.0156 176.1710 6 R 4.5782 8.3128 121.1173 55.0834 32.4689 173.9403 7 K 4.7006 8.6747 119.7285 56.2226 32.5286 177.4141 8 L 4.4827 8.2618 124.6467 55.2266 42.4788 176.4312 9 S 4.7461 9.0890 114.6723 55.5173 66.7196 174.9906 10 I 3.6331 8.4154 121.0405 64.8662 36.3864 178.1178 11 E 3.9969 7.4671 118.0607 59.4178 29.6008 178.2952 12 D 4.7279 8.1734 116.8736 54.3190 41.0002 177.7988 13 L 3.8595 7.7208 122.2566 58.5907 42.0394 178.7184 14 E 3.9527 8.0740 117.4145 59.7637 29.5743 179.4124 15 T 3.8822 7.9003 115.1451 66.5392 68.5336 176.1231 16 L 3.9131 8.3614 122.4309 58.3838 42.0590 179.1297 17 I 3.6852 7.9639 119.7540 64.3359 36.9281 178.3712 18 E 3.9771 8.3501 119.6084 59.4031 29.2943 179.5132 19 V 3.6636 8.0360 118.1164 65.7712 31.5402 178.0432 20 A 3.7596 8.1399 120.7831 54.8636 18.0445 179.4065 21 R 3.8749 8.1838 117.6440 59.8052 30.1731 178.5770 22 E 4.1034 8.8847 118.7907 59.4940 29.4691 179.5510 23 S 4.2124 8.2200 114.3890 61.2722 62.8505 176.6518 24 W 4.2430 8.4232 122.6244 59.5396 28.7228 178.7363 25 K 4.2938 8.8131 118.8760 58.9740 31.2083 179.2944 26 W 4.0846 8.3410 128.0941 60.9957 30.9211 178.1859 27 T 4.0559 8.1813 113.8194 65.6416 67.9573 174.4995 28 Y 4.6008 7.9495 118.1583 57.3478 39.5059 177.3663 29 A 3.9975 7.5226 122.3677 55.3301 18.3802 180.5523 30 G 4.1052 7.8997 100.9782 45.4738 0.0000 173.7346 31 I 4.1231 7.2055 118.8555 62.6429 38.7019 176.0666 32 Y 4.7721 7.5205 118.0515 57.2511 39.1266 176.3895 33 S 4.4975 8.4591 116.9550 58.1337 65.3869 174.9295 34 E 4.0189 8.7642 123.2675 59.5937 29.4562 178.9974 35 E 3.9972 8.2000 118.2069 59.6270 29.6453 178.5469 36 Y 4.0195 8.6905 119.8993 60.4810 38.8060 178.1096 37 I 3.7019 8.1221 120.9070 64.5893 37.3129 178.2938 38 E 3.9903 8.1794 119.3671 59.4408 29.3549 179.4492 39 S 3.9977 8.1177 113.3073 60.9711 62.3098 176.0475 40 W 3.7660 7.9126 131.2028 60.0253 30.3692 178.2381 41 I 3.7382 7.8158 119.9026 64.4139 36.3823 178.2903 42 R 3.8463 7.6939 117.5343 59.3647 29.9737 178.4193 43 E 3.7634 7.4675 116.9216 58.9949 29.8060 178.4662 44 K 3.7473 7.2272 115.7717 56.4076 33.2822 176.2630 45 Y 4.7177 7.8593 116.9988 56.5267 38.6859 176.4427 46 S 4.3678 7.5480 115.1172 57.8081 65.9009 174.3194 47 K 3.8489 8.6162 123.1196 59.8860 31.8417 179.1373 48 E 3.9144 8.1389 118.0067 59.6132 29.4412 179.6190 49 K 3.9657 7.6206 116.8152 59.2788 32.0893 179.5475 50 L 4.0651 8.1410 119.4415 57.7670 41.5219 179.4525 51 L 3.9778 8.3936 119.2373 57.9637 41.7425 178.9046 52 N 4.2403 8.0754 116.7731 57.0259 38.8692 176.6977 53 E 4.0279 8.2134 119.7198 59.2414 29.6076 179.1443 54 I 3.8487 8.2874 120.3289 64.5353 37.2835 178.5067 55 V 3.6056 7.9849 118.9318 66.2882 31.3644 178.2679 56 R 3.9670 7.9385 117.3278 59.1136 29.7470 179.1364 57 S 4.8321 7.9806 113.8230 61.3121 62.3308 176.0512 58 Q 4.0298 8.3215 119.6158 58.7677 28.4194 178.4902 59 S 4.6130 7.6799 113.5633 57.1119 63.3666 173.5850 60 N 4.3268 8.1181 117.8530 54.4265 37.4006 175.2688 61 L 4.6943 7.9243 124.1062 55.2952 40.5708 177.5085 62 D 4.9926 8.7115 127.8568 54.6147 40.6306 175.4682 63 I 5.0980 7.5984 119.0619 59.8411 41.9773 173.6767 64 L 4.9807 9.2082 127.6238 53.3338 45.1786 174.9735 65 F 5.3518 8.9606 127.8292 56.7968 42.0067 172.5298 66 L 5.1952 9.2733 126.4977 52.8810 44.4245 176.2481 67 G 4.4593 9.3677 110.1254 44.5649 0.0000 172.0215 68 A 5.1814 8.8582 123.3278 49.9764 21.4538 175.5014 69 F 5.2242 9.5864 122.1106 55.7160 42.0499 174.8357 70 A 4.7878 8.9022 125.2738 50.0196 21.4325 175.8727 71 D 4.4842 9.5683 123.8229 56.4597 38.5120 174.5313 72 S 3.9620 8.3596 108.0984 59.7722 60.7670 171.7188 73 T 4.6183 7.7974 117.4805 61.3417 70.0572 173.7787 74 L 3.8566 8.4848 129.0036 54.8161 42.6584 176.2103 75 I 4.3987 8.0801 116.9686 59.4711 38.9936 174.6261 76 G 4.0974 7.2578 107.7373 46.4819 0.0000 172.0308 77 F 5.4891 7.5856 113.8964 55.9410 41.7347 172.7495 78 I 5.2286 9.0901 119.9540 59.4793 41.7192 173.8381 79 E 5.2515 9.6108 128.5122 54.8556 33.0216 173.9577 80 L 5.3725 9.5774 126.5518 52.8163 46.4827 175.0544 81 K 5.0064 8.7386 122.2923 54.8290 34.4357 174.8093 82 I 4.9517 8.4626 128.1509 59.5858 39.8762 175.3866 83 I 4.3949 8.5653 126.7607 59.9783 40.4869 176.6111 84 A 3.9473 8.4091 130.7982 53.5162 17.9999 178.3886 85 N 4.5957 8.9419 119.4351 56.6869 38.8353 173.9125 86 K 5.2482 8.4242 118.0482 54.5981 36.4210 174.7431 87 A 5.1955 8.4617 121.5918 50.6467 23.2783 174.8758 88 E 5.0773 9.2683 121.4668 54.2527 32.9386 174.4136 89 L 4.4717 9.0464 130.4289 54.9036 42.0804 176.2386 90 L 4.4629 8.8910 128.0972 56.8556 41.6774 177.3220 91 R 4.8160 7.8229 113.9960 54.3161 33.3421 173.8799 92 L 5.1440 7.9627 120.4050 54.5260 41.9453 174.1615 93 Y 4.2399 7.6362 123.3495 56.9961 40.7708 174.2233 94 L 4.3941 6.7511 126.7346 52.4401 45.3071 175.9582 95 K 3.5482 8.3881 126.1328 56.1203 32.5385 176.1198 96 P 3.9384 0.0000 0.0000 64.9348 31.5464 178.0969 97 E 3.7265 8.0667 116.1396 59.5011 29.1908 177.3745 98 Y 4.4736 8.1336 114.5022 58.0989 38.0671 177.6224 99 T 3.7952 7.7157 120.3141 66.7099 68.5882 176.2434 100 H 4.4233 8.1733 115.1696 57.3170 29.0708 175.4639 101 K 4.1945 7.2738 121.8447 56.7096 33.1365 177.8956 102 K 4.5447 8.3164 122.1744 57.2547 31.7157 174.3316 103 I 3.9421 7.6493 123.1721 65.4000 37.1436 178.4299 104 G 3.4713 7.9850 106.1264 47.7243 0.0000 175.5302 105 K 4.1968 8.1057 121.6019 59.3637 32.2998 179.0483 106 T 3.9262 8.5350 116.7564 66.6010 68.4316 176.6932 107 L 4.0617 8.6316 121.3157 57.7765 41.6359 179.4143 108 L 4.1398 8.0365 120.0687 57.8951 41.9384 178.8517 109 L 4.0289 8.0187 120.4820 58.2144 42.1566 178.7716 110 E 3.9652 8.4156 118.3794 59.3041 29.1502 179.0455 111 A 4.0678 7.9668 119.9214 55.3237 18.4866 179.2786 112 E 3.8677 8.0272 115.9849 59.2902 29.9437 178.8051 113 K 3.9537 8.2539 119.9354 60.0096 32.0173 179.1059 114 I 3.6215 7.4867 115.0281 62.1667 36.6384 177.7494 *116 K 3.9244 7.9049 122.1266 56.3887 33.5043 177.2706 117 K 3.7502 7.5972 117.8981 59.5564 32.0619 177.7502 118 K 3.8024 8.1321 119.5975 58.2906 32.1525 177.6132 119 G 4.0040 8.1445 106.5339 45.3051 0.0000 173.2670 120 I 4.0118 7.4633 120.5044 61.2141 37.0821 176.0348 121 L 4.4581 9.0361 125.6472 55.8362 42.6191 176.0780 122 E 4.8248 7.6651 117.4328 55.5963 33.1743 173.7072 123 C 5.2015 8.6918 124.7824 57.7996 35.1199 173.0274 124 R 5.1404 8.8887 124.3305 54.3579 33.8522 174.3317 125 L 4.6431 7.7263 117.3909 55.7297 42.2916 173.0203 126 Y 4.9308 8.9040 118.1407 56.6358 40.4092 175.3761 127 V 4.6082 8.5704 121.7205 61.2578 35.5819 174.0818 128 H 4.8369 9.0667 127.1830 55.7155 30.4722 176.1536 129 R 3.8244 8.0602 124.5725 58.8765 29.9874 177.2709 130 Q 4.4776 8.2604 114.2507 56.0952 29.4015 176.5474 131 N 4.7538 8.0072 119.3644 51.5525 36.4343 174.7263 132 S 4.1975 8.2036 121.4243 61.5262 63.3372 175.9413 133 V 3.7588 8.0499 119.8585 66.1284 31.2769 178.0719 134 G 3.8291 8.7802 105.3775 47.8605 0.0000 174.9685 135 F 4.1254 8.6422 124.0676 61.3227 39.2761 177.4575 136 S 4.2805 9.1080 114.8522 61.5186 62.7753 176.5611 137 F 3.8480 8.8682 124.2174 61.5739 39.1557 176.8956 138 Y 4.0371 8.3933 119.0825 61.2757 37.4286 178.3453 *139 Y 4.0763 8.0583 123.6691 61.3238 36.8468 181.3746 140 K 4.3746 7.9950 119.1457 57.5003 32.3129 177.3605 141 N 4.8561 7.3115 114.1639 53.3380 39.1022 175.3114 142 G 3.8668 7.8820 108.0658 45.0760 0.0000 173.6376 143 F 4.4949 9.0909 120.1056 56.5246 40.0707 174.7965 144 K 4.5302 8.0542 123.5330 54.3191 33.9341 176.6025 145 V 3.8243 8.3633 124.6060 63.5044 31.2088 175.1850 146 E 4.3834 9.3375 128.6466 57.6182 30.6536 175.5581 147 D 4.6764 7.6112 116.1437 53.4213 44.1567 173.8248 148 T 4.7441 8.1955 112.1161 59.7189 69.0718 172.4369 149 D 4.5876 8.7582 128.6972 53.8670 41.9696 179.0896 150 G 3.7362 9.1876 120.9323 46.5123 0.0000 172.3786 151 S 4.6138 9.1572 114.9369 57.7653 64.0250 172.0986 152 D 5.2918 8.0454 117.3717 52.3324 45.0700 174.5972 153 F 5.0771 9.2493 119.6376 56.4949 41.3901 175.8225 154 I 4.4452 9.3060 124.9559 59.8268 39.9070 174.3233 *156 E 4.3386 8.3602 120.5050 56.5511 31.5615 175.1857 157 K 3.9079 8.0068 121.3978 54.9752 34.5743 175.6483 158 K 4.5017 8.1548 127.0268 56.2623 33.4409 177.0251 159 Y 4.3470 7.8540 117.9124 58.3398 38.4021 175.7856 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 3 I 8.01 4.49 1.88 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 1.40 1.08 0.90 0.00 0.00 4 E 9.37 4.68 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 5 I 8.08 5.31 1.92 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 1.06 2.07 0.98 0.00 0.00 6 R 8.31 4.58 0.00 1.82 1.99 0.00 2.84 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 7 K 8.67 4.70 0.00 1.69 1.83 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.52 7.81 8 L 8.26 4.48 0.00 1.18 1.34 -0.51 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.09 4.75 0.00 3.90 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 10 I 8.42 3.63 1.86 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 1.63 1.10 0.90 0.00 0.00 11 E 7.47 4.00 0.00 1.70 2.02 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 2.32 2.40 0.00 12 D 8.17 4.73 0.00 2.64 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 13 L 7.72 3.86 0.00 1.88 1.69 0.93 0.76 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 14 E 8.07 3.95 0.00 2.02 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 2.40 2.36 0.00 15 T 7.90 3.88 4.43 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 1.26 0.00 0.00 16 L 8.36 3.91 0.00 1.64 1.81 0.35 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.96 3.69 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 1.58 0.72 0.92 0.00 0.00 18 E 8.35 3.98 0.00 2.15 2.02 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 2.35 2.48 0.00 19 V 8.04 3.66 2.33 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 1.19 0.00 0.00 1.05 0.00 0.00 20 A 8.14 3.76 0.64 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 21 R 8.18 3.87 0.00 1.94 2.15 0.00 3.33 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 22 E 8.88 4.10 0.00 2.12 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 0.00 2.43 2.45 0.00 23 S 8.22 4.21 0.00 3.75 3.39 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 24 W 8.42 4.24 0.00 3.59 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 25 K 8.81 4.29 0.00 1.98 2.02 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.63 1.77 7.81 26 W 8.34 4.08 0.00 3.60 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 27 T 8.18 4.06 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 0.38 0.00 0.00 28 Y 7.95 4.60 0.00 3.25 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 29 A 7.52 4.00 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 30 G 7.90 4.11 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 0.00 0.00 0.00 31 I 7.21 4.12 1.85 0.00 0.00 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 1.19 0.56 0.59 0.00 0.00 32 Y 7.52 4.77 0.00 3.16 2.88 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 33 S 8.46 4.50 0.00 4.12 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 34 E 8.76 4.02 0.00 2.12 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 0.00 2.43 2.48 0.00 35 E 8.20 4.00 0.00 2.17 2.03 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 2.43 2.46 0.00 36 Y 8.69 4.02 0.00 2.91 3.10 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 37 I 8.12 3.70 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.95 1.09 0.00 0.00 38 E 8.18 3.99 0.00 2.00 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 2.54 2.49 0.00 39 S 8.12 4.00 0.00 3.85 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 40 W 7.91 3.77 0.00 2.93 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.82 3.74 1.97 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 1.49 0.48 0.93 0.00 0.00 42 R 7.69 3.85 0.00 1.89 1.91 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 43 E 7.47 3.76 0.00 1.79 1.46 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 1.79 2.05 0.00 44 K 7.23 3.75 0.00 0.79 0.74 0.00 1.29 0.00 0.00 1.18 0.00 0.00 3.06 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.82 0.32 7.81 45 Y 7.86 4.72 0.00 2.94 2.88 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 46 S 7.55 4.37 0.00 4.18 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 47 K 8.62 3.85 0.00 1.80 1.91 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.55 7.81 48 E 8.14 3.91 0.00 2.01 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 2.37 2.45 0.00 49 K 7.62 3.97 0.00 1.77 1.77 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.38 7.81 50 L 8.14 4.07 0.00 1.72 1.80 1.12 0.97 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 51 L 8.39 3.98 0.00 1.70 1.73 0.92 0.59 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 52 N 8.08 4.24 0.00 2.85 2.97 0.00 0.00 7.30 7.67 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 53 E 8.21 4.03 0.00 2.35 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 2.23 2.40 0.00 54 I 8.29 3.85 1.91 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 1.26 0.70 0.88 0.00 0.00 55 V 7.98 3.61 2.31 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 1.04 0.00 0.00 0.94 0.00 0.00 56 R 7.94 3.97 0.00 1.96 2.10 0.00 3.18 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 57 S 7.98 4.83 0.00 4.10 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 58 Q 8.32 4.03 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 59 S 7.68 4.61 0.00 3.88 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 60 N 8.12 4.33 0.00 2.84 2.89 0.00 0.00 6.84 8.62 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 61 L 7.92 4.69 0.00 1.69 1.23 0.93 0.99 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 62 D 8.71 4.99 0.00 2.83 2.88 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 63 I 7.60 5.10 1.89 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 1.22 0.95 0.90 0.00 0.00 64 L 9.21 4.98 0.00 1.73 1.54 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.96 5.35 0.00 3.03 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 66 L 9.27 5.20 0.00 1.79 1.65 1.00 0.59 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 67 G 9.37 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 0.00 0.00 0.00 0.00 68 A 8.86 5.18 1.09 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 69 F 9.59 5.22 0.00 3.10 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 70 A 8.90 4.79 1.14 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 0.00 0.00 71 D 9.57 4.48 0.00 2.84 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 72 S 8.36 3.96 0.00 4.06 3.99 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 73 T 7.80 4.62 4.47 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 1.22 0.00 0.00 74 L 8.48 3.86 0.00 1.34 1.49 0.43 1.00 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 75 I 8.08 4.40 1.23 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.86 0.78 0.00 0.00 76 G 7.26 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 77 F 7.59 5.49 0.00 3.31 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 78 I 9.09 5.23 2.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.79 1.06 0.00 0.00 79 E 9.61 5.25 0.00 1.79 1.62 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 1.85 1.47 0.00 80 L 9.58 5.37 0.00 1.65 1.55 1.03 0.46 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 81 K 8.74 5.01 0.00 1.88 1.67 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.45 7.81 82 I 8.46 4.95 1.89 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 1.26 0.82 0.97 0.00 0.00 83 I 8.57 4.39 1.89 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 0.80 0.93 0.00 0.00 84 A 8.41 3.95 0.98 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 85 N 8.94 4.60 0.00 2.86 2.88 0.00 0.00 6.61 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.42 5.25 0.00 1.77 1.70 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 87 A 8.46 5.20 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 88 E 9.27 5.08 0.00 2.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 89 L 9.05 4.47 0.00 1.75 1.57 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.89 4.46 0.00 1.70 1.70 0.87 0.81 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 91 R 7.82 4.82 0.00 2.13 2.19 0.00 3.45 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 92 L 7.96 5.14 0.00 1.73 1.69 0.90 1.13 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 93 Y 7.64 4.24 0.00 2.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 6.75 4.39 0.00 1.18 1.02 0.66 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.39 3.55 0.00 1.83 1.94 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.46 7.81 96 P 0.00 3.94 0.00 1.69 1.54 0.00 3.45 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.08 0.00 97 E 8.07 3.73 0.00 1.16 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 2.06 2.24 0.00 98 Y 8.13 4.47 0.00 2.88 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 99 T 7.72 3.80 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 1.11 0.00 0.00 100 H 8.17 4.42 0.00 3.26 3.38 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.27 4.19 0.00 1.92 1.81 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.04 7.81 102 K 8.32 4.54 0.00 1.75 1.76 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.07 7.81 103 I 7.65 3.94 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 0.77 0.00 0.00 104 G 7.98 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 0.00 0.00 0.00 105 K 8.11 4.20 0.00 1.89 2.06 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.60 7.81 106 T 8.54 3.93 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 1.23 0.00 0.00 107 L 8.63 4.06 0.00 1.82 1.79 0.83 0.76 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 1.35 1.36 7.81 117 K 7.60 3.75 0.00 1.83 2.06 0.00 1.87 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 118 K 8.13 3.80 0.00 1.87 1.83 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 119 G 8.14 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 0.00 0.00 0.00 120 I 7.46 4.01 1.83 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 1.44 0.47 1.07 0.00 0.00 121 L 9.04 4.46 0.00 1.58 1.73 0.93 0.64 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 0.00 122 E 7.67 4.82 0.00 1.96 1.73 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 2.11 2.10 0.00 123 C 8.69 5.20 0.00 3.24 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 0.00 124 R 8.89 5.14 0.00 1.68 1.62 0.00 3.11 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 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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 1.03 0.00 0.00 0.96 0.00 0.00 134 G 8.78 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.64 4.13 0.00 3.36 3.38 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 0.00 136 S 9.11 4.28 0.00 4.24 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 0.00 137 F 8.87 3.85 0.00 2.89 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 0.00 138 Y 8.39 4.04 0.00 2.76 2.28 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 *139 Y 8.06 4.08 0.00 2.27 2.30 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 0.00 140 K 8.00 4.37 0.00 1.76 1.67 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.42 7.81 141 N 7.31 4.86 0.00 2.64 2.75 0.00 0.00 7.16 7.53 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 0.00 142 G 7.88 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 0.00 143 F 9.09 4.49 0.00 2.95 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 0.00 144 K 8.05 4.53 0.00 1.66 1.69 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.24 7.81 145 V 8.36 3.82 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 0.92 0.00 0.00 0.82 0.00 0.00 146 E 9.34 4.38 0.00 1.91 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 2.38 2.47 0.00 147 D 7.61 4.68 0.00 2.74 2.51 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 0.00 0.00 0.00 0.00 148 T 8.20 4.74 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 149 D 8.76 4.59 0.00 2.89 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 0.00 150 G 9.19 3.74 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 0.00 0.00 0.00 151 S 9.16 4.61 0.00 3.84 3.74 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 0.00 152 D 8.05 5.29 0.00 2.97 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 0.00 153 F 9.25 5.08 0.00 3.19 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 0.00 154 I 9.31 4.45 1.92 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 1.15 0.68 0.67 0.00 0.00 *156 E 8.36 4.34 0.00 2.03 2.02 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 2.15 2.16 0.00 157 K 8.01 3.91 0.00 0.79 0.74 0.00 1.10 0.00 0.00 0.62 0.00 0.00 2.58 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.89 0.85 7.81 158 K 8.15 4.50 0.00 1.49 1.60 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.32 7.81 159 Y 7.85 4.35 0.00 2.84 2.79 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 * Residues marked with a * may have inaccurate shift predictions.