NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9226 8.3501 109.7360 45.5159 0.0000 173.0332 7 A 4.5476 8.1667 122.2100 49.8932 22.1385 174.3782 8 R 4.7136 8.9773 120.8869 54.3226 35.2558 173.3959 9 I 4.0659 8.1666 121.6973 60.8575 37.9714 175.4185 10 K 4.6671 8.1119 124.2075 54.4219 35.5053 175.7074 11 T 3.9674 8.2905 119.4690 63.3081 69.1074 174.2043 12 L 4.2243 8.3507 128.0851 55.2938 43.4639 175.4949 13 S 5.1575 8.5108 119.6182 56.8852 65.6399 172.9520 14 V 4.5690 8.9522 126.1811 61.2686 34.6186 174.1688 15 S 5.3742 8.7645 122.6545 56.9296 65.6415 173.7118 16 R 4.6130 8.9748 121.7972 53.6107 33.3781 173.2276 17 P 4.9433 0.0000 0.0000 62.9452 32.3132 175.7793 18 I 4.9763 9.3801 123.8672 59.4511 41.9087 173.6138 19 I 5.3977 9.1305 129.8621 59.8314 39.8867 174.2593 20 Y 4.9528 8.8074 123.8912 55.7412 41.9752 174.9583 21 G 3.1740 6.3054 106.2308 44.7440 0.0000 171.7791 22 N 6.2600 8.7334 118.2645 51.1544 41.2910 174.0913 23 T 5.2194 8.8253 109.8838 60.4306 72.2519 172.7525 24 A 5.3837 9.2145 123.3097 50.7181 23.4411 175.1531 25 K 4.7326 9.4839 120.8924 54.8542 36.0279 176.6219 26 K 3.7765 8.5785 128.7078 55.7846 33.8933 175.5997 *28 G 3.9567 8.2681 107.5597 45.7027 0.0000 173.3870 29 S 4.1436 8.7148 113.7654 60.7246 63.5413 174.7174 30 V 3.8865 7.6944 120.9611 61.8852 31.3048 174.9518 31 K 4.6905 8.2079 126.3276 53.6120 34.6972 174.5885 32 P 4.4314 0.0000 0.0000 61.6305 31.9454 174.6369 33 P 4.2465 0.0000 0.0000 64.2796 31.6368 176.6632 34 N 4.3777 8.8846 115.7954 53.3730 36.4653 174.3942 35 A 4.2149 7.4701 122.3407 50.8082 19.3706 175.9967 36 P 4.2787 0.0000 0.0000 62.4045 32.0776 177.4951 37 A 4.0498 8.6159 125.2302 55.2154 18.4576 178.8054 38 E 4.1332 8.0488 111.9227 58.4215 30.2141 176.9227 39 H 4.7247 8.1515 118.3709 56.3224 29.2911 174.9630 40 T 4.6953 8.8505 113.1327 61.9681 71.5891 173.5143 41 H 5.3818 9.2112 118.9022 53.7867 33.1979 172.2162 42 L 5.1521 9.2701 123.5725 53.4037 44.2011 175.2527 43 W 5.7988 8.8317 121.9798 55.5168 32.4617 173.7125 44 T 5.1452 9.1496 117.2804 62.0536 71.7616 172.7456 45 I 4.8998 8.6845 127.5873 59.7646 40.0743 174.3488 46 F 5.7112 8.5476 122.5465 55.6908 41.8802 173.2442 47 V 5.2860 9.3528 120.0487 61.5114 34.1146 174.6259 48 R 4.9274 10.1872 124.1343 55.2627 33.6719 174.0001 49 G 4.6586 8.6702 105.9951 43.7818 0.0000 171.7191 50 P 4.2596 0.0000 0.0000 63.9228 31.7397 176.5044 51 Q 3.2342 9.0562 117.8216 56.5979 26.2007 172.8569 52 N 4.2947 8.0201 113.0476 54.0898 38.0446 174.1606 53 E 4.1816 7.9492 112.7326 55.3219 30.1831 176.1436 54 D 4.5732 8.6982 120.2075 54.9155 41.9156 176.0530 55 I 4.7473 8.4707 116.7419 60.4758 38.6728 176.8465 56 S 5.1822 8.9384 115.4424 59.9038 63.2327 175.0541 57 Y 4.4367 8.0506 118.4704 59.0078 38.1077 176.5146 58 F 4.9521 7.4430 112.8466 55.8903 39.9403 174.1815 59 I 4.5042 7.1057 123.2966 59.2311 38.2589 175.9985 60 K 4.1721 8.9529 128.8632 59.0676 32.5292 176.9619 61 K 4.6650 7.4633 116.4994 55.7570 36.0812 174.4906 62 V 4.4727 8.4341 120.8416 60.9383 34.7103 174.1875 63 V 4.5956 8.5873 127.7426 61.0807 34.1251 173.9917 64 F 4.9663 8.9945 127.4695 55.8530 40.8054 174.9328 65 K 4.7861 8.9558 127.1575 55.4386 32.9177 176.1764 66 L 4.9154 8.9682 128.4607 53.1985 43.7898 176.2878 67 H 4.0160 8.2707 119.5713 56.4442 29.9490 175.5114 68 D 4.5634 8.2643 124.6854 55.2141 39.3501 177.1452 69 T 4.1004 7.8034 109.4797 63.4303 69.4077 174.1621 70 Y 4.3201 8.0293 121.5237 56.1363 38.7943 173.6267 71 P 4.2853 0.0000 0.0000 64.3328 32.8453 176.1325 72 N 4.1666 8.8914 117.2729 54.0637 35.8853 173.0670 73 P 4.5270 0.0000 0.0000 64.5539 33.2068 177.8009 74 V 4.3759 7.4131 120.0551 61.9244 31.3874 174.9157 75 R 4.4936 8.9141 127.8369 54.6349 31.5217 175.4353 76 S 4.7213 8.6299 120.0090 56.9949 63.7364 173.2551 77 I 4.4425 8.9163 129.4499 60.0436 38.4877 176.0037 78 E 4.6143 8.9554 125.5145 55.9402 30.1830 175.8960 79 A 4.6636 7.4421 120.7385 49.6084 22.1931 174.6069 80 P 3.4312 0.0000 0.0000 61.2856 32.0050 174.6298 81 P 4.1925 0.0000 0.0000 63.0008 32.1503 177.1809 82 F 5.0096 8.3401 121.3188 56.2304 37.4429 173.9310 83 E 5.4680 8.2152 118.4936 54.8569 33.3273 175.0579 84 L 4.8064 8.6101 119.7379 54.5327 44.2523 174.9970 85 T 4.9036 8.2476 117.1836 62.0493 71.0165 172.9795 86 E 4.3950 8.3242 125.4318 55.2321 33.6583 173.5132 87 T 4.9527 7.8929 112.5489 60.4206 71.5309 173.4671 88 G 4.2063 8.6552 108.8395 46.2624 0.0000 173.8609 89 W 5.4793 8.2971 114.9210 54.9483 30.2488 176.0522 90 G 3.6578 7.0341 106.3503 43.0170 0.0000 171.9681 91 E 4.1565 8.4767 121.7043 55.6569 30.3450 176.0220 92 F 4.9549 7.4346 118.9307 55.3300 42.0100 173.2480 93 D 4.9164 8.8499 119.5747 54.3973 41.7996 175.8963 94 I 4.7299 8.5842 123.2868 59.4899 40.3832 174.2564 95 N 4.5298 8.6733 126.6442 52.7905 39.9117 173.7729 96 I 4.1168 7.8597 128.9353 60.0505 38.8249 175.1205 97 K 4.4694 8.6767 127.7204 54.5765 34.2760 175.5087 98 V 4.1496 8.3506 126.5469 61.3117 33.3882 173.9791 99 Y 4.5243 8.4862 126.8652 56.3085 39.2834 175.7777 100 F 4.9563 8.3418 123.2169 56.6486 40.4721 175.8116 101 V 3.8597 8.5544 121.1806 63.0562 32.0331 176.9710 102 E 4.0022 9.0760 124.2997 59.7817 28.9458 179.2765 103 E 3.9634 8.2170 118.0127 59.1423 29.5819 178.4963 104 A 2.9857 7.6012 120.1763 52.4911 18.6602 177.0262 105 N 4.1002 7.5656 113.1513 54.7048 36.7539 173.9669 106 E 4.6755 7.7546 115.0552 53.9596 32.2441 176.4751 107 K 4.0988 8.3772 123.0640 56.0225 32.9944 176.3862 108 V 3.4252 7.8322 122.3092 62.6798 32.2304 175.0462 109 L 4.3297 8.3439 130.3331 54.5131 42.9285 174.7910 110 N 5.1730 8.6209 124.6213 51.8467 40.2410 174.4569 111 F 4.9205 8.1609 117.6554 55.9217 42.0275 172.4870 112 Y 5.1943 8.5486 114.4137 56.9112 42.0516 175.1151 113 H 4.7719 9.0551 121.4751 54.7991 33.6046 172.3577 114 R 4.0778 8.5172 127.1728 55.7773 30.4765 175.6870 115 L 3.8744 8.2894 130.1730 55.2598 42.9673 175.6099 116 R 4.7904 8.4177 125.3992 54.6423 31.2807 176.0533 117 L 4.4317 9.2660 123.4141 55.1487 43.9424 176.5854 118 H 4.9440 7.8514 113.7807 52.9587 30.7292 172.3410 119 P 3.9575 0.0000 0.0000 62.3000 31.1996 175.4844 *144 E 4.4099 8.4837 122.1319 56.1882 31.0057 175.3935 145 V 4.6363 8.6422 122.7898 61.1257 34.5098 174.4840 146 S 5.1175 8.6078 120.7482 56.7254 66.4234 173.3936 147 S 4.4779 9.1594 117.2939 56.5888 64.3644 172.4989 148 V 4.6604 7.9357 126.2519 61.0884 34.4611 173.9324 149 Y 4.4995 8.8477 125.0904 56.1812 40.7728 174.6803 150 F 5.5853 8.9870 126.4966 56.8655 39.6850 173.9360 151 D 5.3407 9.0724 127.2192 52.3417 44.6977 173.6484 152 E 4.9995 8.5546 119.7590 55.5624 32.9223 176.1211 153 I 4.0038 9.1679 128.8502 60.2469 38.5342 174.9338 154 V 4.3642 8.0242 128.0777 61.6546 32.6439 175.0191 155 F 4.6137 9.5045 128.4545 56.3392 40.2474 174.4084 156 N 4.9093 8.9162 123.3125 52.7839 39.8642 174.8014 157 E 3.8236 8.5740 126.0140 56.8713 27.6356 173.3588 158 P 4.5804 0.0000 0.0000 62.3751 32.8946 177.1132 159 N 4.6693 8.5795 118.2258 52.4143 39.7103 175.6871 160 E 3.9298 8.7201 121.5235 59.7214 29.2897 178.9706 161 E 4.0538 8.2452 117.9972 59.4867 29.5783 178.9697 162 F 4.4465 9.2769 121.1094 60.9467 39.1656 176.9781 163 F 3.7908 8.2618 120.0304 60.9896 39.2176 176.6268 164 K 4.0215 7.8054 117.5587 59.5273 32.2741 178.4782 165 I 3.9557 7.3909 119.5324 64.3297 36.8175 179.1885 166 L 3.8203 7.1056 116.0154 55.4193 41.6021 178.3491 *168 S 4.2845 7.9601 115.0682 57.2083 64.7937 173.8221 169 R 3.2666 7.0238 122.7072 56.0160 30.4947 175.7946 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 6 G 8.35 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.17 4.55 1.21 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 0.00 0.00 0.00 8 R 8.98 4.71 0.00 1.74 1.77 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 9 I 8.17 4.07 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.89 0.00 0.00 10 K 8.11 4.67 0.00 1.63 1.60 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.43 7.81 11 T 8.29 3.97 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 12 L 8.35 4.22 0.00 1.72 1.51 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.51 5.16 0.00 3.88 3.68 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 0.00 0.00 0.00 0.00 14 V 8.95 4.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.09 0.00 0.00 15 S 8.76 5.37 0.00 3.76 3.72 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 16 R 8.97 4.61 0.00 1.64 1.72 0.00 2.97 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.78 0.00 17 P 0.00 4.94 0.00 2.25 2.26 0.00 3.74 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 2.16 2.14 0.00 18 I 9.38 4.98 2.11 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 1.41 1.66 1.11 0.00 0.00 19 I 9.13 5.40 2.01 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.76 1.06 0.00 0.00 20 Y 8.81 4.95 0.00 3.22 3.14 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 21 G 6.31 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.73 6.26 0.00 2.89 2.78 0.00 0.00 6.54 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 23 T 8.83 5.22 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 1.32 0.00 0.00 24 A 9.21 5.38 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 25 K 9.48 4.73 0.00 1.78 1.64 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 26 K 8.58 3.78 0.00 1.71 1.72 0.00 1.91 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *28 G 8.27 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 0.00 0.00 0.00 29 S 8.71 4.14 0.00 4.00 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 30 V 7.69 3.89 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 0.83 0.00 0.00 0.93 0.00 0.00 31 K 8.21 4.69 0.00 1.77 1.71 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 32 P 0.00 4.43 0.00 2.17 1.96 0.00 3.62 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 2.11 2.07 0.00 33 P 0.00 4.25 0.00 2.17 2.05 0.00 3.84 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 1.99 0.00 34 N 8.88 4.38 0.00 2.92 3.05 0.00 0.00 6.95 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 35 A 7.47 4.21 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.28 0.00 1.86 1.86 0.00 3.56 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 1.78 1.99 0.00 37 A 8.62 4.05 1.27 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 0.00 0.00 38 E 8.05 4.13 0.00 1.90 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 2.47 2.16 0.00 39 H 8.15 4.72 0.00 3.51 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.85 4.70 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 1.41 0.00 0.00 41 H 9.21 5.38 0.00 3.29 3.36 0.00 5.59 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 42 L 9.27 5.15 0.00 1.74 1.54 0.89 1.12 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 43 W 8.83 5.80 0.00 3.43 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 44 T 9.15 5.15 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 1.34 0.00 0.00 45 I 8.68 4.90 1.82 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 0.97 0.98 0.18 0.00 0.00 46 F 8.55 5.71 0.00 3.27 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 47 V 9.35 5.29 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 0.97 0.00 0.00 1.15 0.00 0.00 48 R 10.19 4.93 0.00 1.96 2.20 0.00 2.78 0.00 0.00 3.02 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00 49 G 8.67 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 50 P 0.00 4.26 0.00 2.26 2.06 0.00 4.04 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 51 Q 9.06 3.23 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 52 N 8.02 4.29 0.00 2.70 2.83 0.00 0.00 7.06 8.21 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 53 E 7.95 4.18 0.00 2.22 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 2.65 2.44 0.00 54 D 8.70 4.57 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 55 I 8.47 4.75 1.63 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 1.70 1.01 1.23 0.00 0.00 56 S 8.94 5.18 0.00 4.22 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 0.00 57 Y 8.05 4.44 0.00 3.25 3.34 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 58 F 7.44 4.95 0.00 3.35 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 59 I 7.11 4.50 1.43 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.29 0.20 0.00 0.00 60 K 8.95 4.17 0.00 1.74 1.92 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 K 7.46 4.67 0.00 1.90 1.77 0.00 1.11 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.99 7.81 62 V 8.43 4.47 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 0.18 0.00 0.00 0.17 0.00 0.00 63 V 8.59 4.60 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 0.77 0.00 0.00 0.78 0.00 0.00 64 F 8.99 4.97 0.00 3.12 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 65 K 8.96 4.79 0.00 1.81 1.77 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 66 L 8.97 4.92 0.00 1.54 1.53 0.79 1.27 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 67 H 8.27 4.02 0.00 1.82 2.69 0.00 5.67 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.26 4.56 0.00 2.81 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 69 T 7.80 4.10 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 1.28 0.00 0.00 70 Y 8.03 4.32 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.29 0.00 2.22 2.09 0.00 4.06 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 72 N 8.89 4.17 0.00 2.91 2.87 0.00 0.00 6.89 8.03 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 73 P 0.00 4.53 0.00 2.31 2.64 0.00 3.72 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 2.11 2.00 0.00 74 V 7.41 4.38 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 0.78 0.00 0.00 0.95 0.00 0.00 75 R 8.91 4.49 0.00 1.95 1.97 0.00 3.37 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 76 S 8.63 4.72 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.92 4.44 2.23 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 1.59 1.46 1.10 0.00 0.00 78 E 8.96 4.61 0.00 1.95 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 2.18 2.26 0.00 79 A 7.44 4.66 1.13 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 80 P 0.00 3.43 0.00 1.94 1.53 0.00 3.61 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 81 P 0.00 4.19 0.00 2.18 2.04 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 82 F 8.34 5.01 0.00 3.38 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 83 E 8.22 5.47 0.00 2.08 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 2.38 2.33 0.00 84 L 8.61 4.81 0.00 1.67 1.75 0.74 0.77 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 85 T 8.25 4.90 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 1.10 0.00 0.00 86 E 8.32 4.39 0.00 1.16 1.12 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 1.95 2.24 0.00 87 T 7.89 4.95 4.39 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 1.21 0.00 0.00 88 G 8.66 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 0.00 0.00 0.00 0.00 89 W 8.30 5.48 0.00 3.56 3.45 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 0.00 90 G 7.03 3.66 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 91 E 8.48 4.16 0.00 1.80 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 2.16 2.22 0.00 92 F 7.43 4.95 0.00 3.07 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 93 D 8.85 4.92 0.00 2.69 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 94 I 8.58 4.73 1.80 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.60 1.06 0.00 0.00 95 N 8.67 4.53 0.00 2.75 2.64 0.00 0.00 6.78 7.71 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 96 I 7.86 4.12 0.56 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.20 0.27 0.00 0.00 97 K 8.68 4.47 0.00 1.65 1.55 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.25 7.81 98 V 8.35 4.15 1.81 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 0.19 0.00 0.00 0.87 0.00 0.00 99 Y 8.49 4.52 0.00 2.85 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 0.00 100 F 8.34 4.96 0.00 2.87 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 0.00 101 V 8.55 3.86 2.22 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 1.10 0.00 0.00 1.04 0.00 0.00 102 E 9.08 4.00 0.00 2.24 2.22 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 2.39 2.44 0.00 103 E 8.22 3.96 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 104 A 7.60 2.99 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 7.57 4.10 0.00 2.76 2.86 0.00 0.00 6.89 7.55 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 0.00 106 E 7.75 4.68 0.00 2.04 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 2.20 1.99 0.00 107 K 8.38 4.10 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.40 7.81 108 V 7.83 3.43 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.21 0.00 0.00 109 L 8.34 4.33 0.00 2.02 1.43 0.90 0.31 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 0.00 110 N 8.62 5.17 0.00 2.55 2.51 0.00 0.00 6.93 7.45 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 0.00 111 F 8.16 4.92 0.00 2.96 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 0.00 112 Y 8.55 5.19 0.00 2.83 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 0.00 113 H 9.06 4.77 0.00 3.36 3.12 0.00 5.78 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.52 4.08 0.00 1.77 1.73 0.00 3.26 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 115 L 8.29 3.87 0.00 0.91 0.72 -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 116 R 8.42 4.79 0.00 1.68 1.75 0.00 3.38 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 117 L 9.27 4.43 0.00 0.96 1.14 0.82 0.88 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 0.00 118 H 7.85 4.94 0.00 3.14 3.21 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 3.96 0.00 2.06 2.06 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 *144 E 8.48 4.41 0.00 1.89 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 0.00 2.36 2.34 0.00 145 V 8.64 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 146 S 8.61 5.12 0.00 3.90 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 0.00 147 S 9.16 4.48 0.00 3.84 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 0.00 148 V 7.94 4.66 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 1.04 0.00 0.00 1.06 0.00 0.00 149 Y 8.85 4.50 0.00 1.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.99 5.59 0.00 2.88 2.92 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 0.00 0.00 0.00 151 D 9.07 5.34 0.00 2.83 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 0.00 152 E 8.55 5.00 0.00 1.84 1.71 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 2.13 2.29 0.00 153 I 9.17 4.00 1.74 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.44 0.29 0.00 0.00 154 V 8.02 4.36 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 0.76 0.00 0.00 0.86 0.00 0.00 155 F 9.50 4.61 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 N 8.92 4.91 0.00 2.74 2.73 0.00 0.00 7.39 7.65 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 0.00 157 E 8.57 3.82 0.00 2.14 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 2.26 2.24 0.00 158 P 0.00 4.58 0.00 2.33 2.22 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 159 N 8.58 4.67 0.00 3.06 3.03 0.00 0.00 5.74 7.66 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 0.00 160 E 8.72 3.93 0.00 2.04 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 2.42 2.38 0.00 161 E 8.25 4.05 0.00 2.25 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 2.45 2.35 0.00 162 F 9.28 4.45 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 8.26 3.79 0.00 3.08 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 0.00 164 K 7.81 4.02 0.00 1.89 2.05 0.00 1.90 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.51 7.81 165 I 7.39 3.96 2.07 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 1.18 0.00 0.00 166 L 7.11 3.82 0.00 1.18 1.15 -0.28 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *168 S 7.96 4.28 0.00 3.92 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 0.00 169 R 7.02 3.27 0.00 1.92 1.73 0.00 3.14 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 * Residues marked with a * may have inaccurate shift predictions.