NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2864 8.1593 117.3738 63.5510 69.8504 173.8927 2 S 4.4782 8.3080 121.0184 55.9127 66.5181 173.5312 3 K 4.0314 9.1575 124.0717 59.6211 32.4273 179.8465 4 K 3.8259 8.0916 118.2478 59.7473 31.8229 178.7603 5 K 4.0185 7.4978 117.9945 59.3085 31.9803 177.7064 6 R 4.3844 7.5592 115.5464 56.4831 30.5643 177.7943 7 Q 4.1568 8.3833 120.4321 57.1156 28.4838 176.0662 8 R 3.9733 7.5497 118.9836 58.4851 30.1412 176.3997 9 G 4.0914 9.0407 111.2965 45.5448 0.0000 174.0202 10 S 4.2625 7.9165 112.9593 58.0924 63.7241 174.7567 11 R 4.1350 8.0759 125.9638 57.8503 29.3502 176.8221 12 T 4.2648 7.6265 105.0225 61.4439 69.6111 174.3910 13 H 4.7628 8.5499 117.7503 56.0180 26.8305 175.5849 14 G 3.8943 8.6342 104.3706 45.9823 0.0000 175.0217 15 G 3.8637 8.0861 106.7823 44.8446 0.0000 176.6016 16 G 3.8306 7.8762 107.1272 45.4085 0.0000 174.4233 17 S 4.1383 8.5839 117.7992 58.4801 62.6659 174.8584 18 H 4.2321 8.9715 122.8767 57.4710 28.1506 175.8103 19 K 4.0478 7.6095 118.8256 57.0814 31.7068 177.4596 20 N 4.3484 8.0025 118.3233 55.3489 39.4404 175.8911 21 R 4.3217 7.4932 120.2098 57.0318 29.6475 176.7742 22 R 4.5751 7.1073 121.5879 56.2583 30.2278 180.6489 23 G 3.9990 8.5285 122.4596 46.1105 0.0000 173.6192 24 A 4.2856 8.6402 120.6179 53.9982 18.5549 179.9058 25 G 3.5630 8.0373 104.5955 47.9409 0.0000 174.9942 26 H 4.4777 7.9097 117.8130 57.8116 29.9933 176.2988 27 R 4.4867 8.0691 117.9239 55.2989 31.0838 175.8342 28 G 3.6573 7.8959 106.5241 46.3973 0.0000 174.7028 29 G 3.9800 8.2738 103.5166 44.3520 0.0000 173.7023 30 R 4.0788 8.3786 118.8670 56.9338 31.6263 175.9511 31 G 3.7706 8.2748 113.4650 47.5295 0.0000 173.3932 32 D 4.7186 8.6251 123.1847 53.9896 40.6377 175.5416 33 A 4.0837 7.4703 122.3927 54.0563 18.7432 179.0669 34 G 3.7399 8.9759 109.8412 45.5157 0.0000 175.2203 35 R 4.0000 7.9858 116.0449 56.9736 29.2661 177.4009 36 D 4.9847 7.9069 115.9351 52.7200 42.3911 176.3172 37 K 4.2320 8.2303 116.6251 57.0884 32.9601 176.3770 38 H 4.6161 9.3384 124.8682 57.9436 30.0523 175.9976 39 E 4.7707 8.1489 121.2848 55.8197 30.2472 177.7162 40 F 5.0452 8.1912 114.3396 59.0406 38.6744 175.6270 41 H 3.6284 6.8394 118.0761 57.4107 28.6490 174.4430 42 N 4.3084 8.9091 121.2445 54.9660 35.5597 173.7754 43 H 4.9482 8.0734 112.7083 53.6814 32.5399 173.7406 44 E 4.2084 8.6647 122.4674 55.2001 30.0535 175.2949 45 P 4.4072 0.0000 0.0000 62.8027 31.7330 176.0260 46 L 4.1424 8.0225 119.2555 54.8203 42.2560 175.5491 47 G 4.0666 8.1282 105.5629 43.8898 0.0000 173.2980 48 K 4.6100 8.1444 118.6996 54.8286 34.1472 176.5787 49 S 4.3800 8.3613 115.4204 58.0202 65.3047 175.5646 50 G 4.0709 8.9667 118.1150 45.1230 0.0000 171.2733 51 F 5.0402 8.4848 112.8121 55.4042 41.1260 173.3199 52 K 4.2612 8.2697 118.6280 54.4349 35.3521 176.4932 53 R 4.4267 8.0396 121.4355 54.1204 31.4322 174.7396 54 P 4.2762 0.0000 0.0000 63.2658 31.2675 176.9564 55 Q 3.9036 8.9845 120.5368 59.1700 28.7373 178.5875 56 K 4.4407 7.9459 113.9092 56.8763 32.6366 176.9393 57 V 4.3324 7.9719 116.5430 62.9068 32.0550 174.7999 58 Q 4.6049 7.5827 116.5033 54.3872 30.2141 174.7153 59 E 4.4985 8.5771 121.3768 54.4258 31.7444 174.8781 60 E 4.4560 8.3978 123.9875 54.2662 31.5291 174.3797 61 A 4.0291 8.2703 129.1953 51.2144 19.8687 176.0294 62 A 4.5347 9.0673 124.8632 50.8622 20.4189 176.6028 63 T 5.5038 8.1337 112.3115 59.7443 72.0927 173.4959 64 I 4.3713 7.8153 119.5159 60.2869 41.5248 172.5496 65 D 5.2361 8.5387 128.2644 53.1723 42.3540 177.7741 66 V 3.5600 8.5804 116.4309 64.8703 31.5585 178.8411 67 R 3.8697 7.8533 117.7009 59.4885 29.5972 178.0973 68 E 3.8513 8.1827 117.7818 59.6378 30.0482 178.1617 69 I 3.6948 7.8435 119.0599 64.7989 37.0295 177.2723 70 D 4.3480 8.5811 118.4458 57.8532 40.9237 178.7123 71 E 4.1534 8.5369 117.2481 58.1606 29.1686 177.2430 72 N 5.0065 7.9962 116.4985 52.8619 39.9265 177.1314 73 V 3.2055 7.4811 113.4199 64.7230 31.8180 178.6940 74 T 3.8383 7.6707 108.3218 64.8438 68.3296 175.4445 75 L 4.0673 7.1785 120.4100 56.7786 42.0965 177.4101 76 L 4.4062 7.7630 120.4966 53.5840 41.2725 178.1490 77 A 3.9944 8.0362 122.3548 55.3123 18.7749 178.0814 78 A 4.4828 7.7429 117.6321 52.0499 18.9784 177.2842 79 D 4.5840 8.2580 120.0220 56.1782 45.5889 175.9497 80 D 4.2435 7.5532 122.0635 49.1651 41.6386 175.5100 81 V 4.5540 8.3319 121.2800 61.2258 34.2100 174.8742 82 A 4.2319 8.1046 132.5095 51.6997 20.5017 176.8280 83 E 3.7983 8.9745 109.6892 59.4814 30.1521 173.8730 *89 F 4.6237 7.7467 114.2763 57.9892 41.1138 174.0623 90 R 5.2377 8.7418 120.1848 54.7851 32.6382 174.7769 91 V 4.4889 8.7818 125.8261 59.9020 35.1134 174.5488 92 D 4.7638 8.7694 124.2985 53.0336 40.9152 176.3319 93 V 3.6089 8.5158 128.3728 66.3676 31.5887 178.3126 94 R 3.4522 7.6616 117.4238 59.4123 29.8850 177.8905 95 D 4.5821 8.0296 116.3578 55.2806 41.1548 178.2840 96 V 3.9350 8.3094 119.7853 63.9986 32.3210 176.3446 97 V 3.6249 7.2442 117.0513 62.9150 31.6865 175.4782 98 E 4.1730 8.5790 126.1544 57.1872 30.3126 177.0245 99 E 4.1375 9.0821 117.2680 57.2101 26.9189 175.6524 100 A 4.4194 7.5407 119.2986 52.9967 18.6109 178.0962 101 D 4.7244 8.0013 118.0139 56.8131 42.0915 178.2006 102 D 4.5796 7.9837 116.2794 53.2522 39.2248 174.7965 103 A 4.8012 7.5467 122.7608 50.6914 20.7900 178.2167 104 D 4.1483 8.7866 122.1531 55.3681 41.7424 175.6166 105 Y 4.8866 6.3213 118.8161 57.4279 41.5908 171.7972 106 V 4.7559 8.9694 121.2117 61.3178 33.6828 174.3680 107 K 4.7756 9.5225 129.4441 54.5625 35.3110 174.5575 108 V 4.5843 8.3592 127.5336 61.6675 33.2575 174.6445 109 L 4.7537 9.2775 127.7610 52.3962 44.6397 176.8036 110 G 4.4561 7.8066 108.2532 45.4507 0.0000 173.8001 111 A 4.6745 8.1305 121.5323 51.5627 21.4539 178.0570 112 G 4.0671 8.8238 108.6876 44.4490 0.0000 172.1635 113 Q 4.5069 8.1429 117.1638 54.1605 31.1540 175.5240 114 V 4.3123 7.9074 117.4096 61.8945 32.7361 174.6696 115 R 4.4006 8.7324 125.0895 56.2785 30.2774 175.8172 116 H 5.2540 7.8031 114.3513 53.5869 33.1131 172.7068 117 E 4.9564 8.8331 118.0444 55.2474 30.2827 175.7298 118 L 5.1205 8.6262 124.1858 53.0281 45.8552 175.8963 119 T 5.0567 8.8438 119.1163 62.1167 70.8727 172.7008 120 L 5.2875 8.7799 127.2328 53.0215 44.4915 175.9430 121 I 5.4342 8.7044 123.1593 58.9292 39.9665 174.5751 122 A 4.7801 8.6307 127.3405 50.6700 22.1974 176.1116 123 D 4.3757 8.6361 118.1809 57.2172 41.9956 176.3399 124 D 4.5847 7.2545 115.3927 53.6046 44.4749 174.1391 125 F 5.6167 9.0015 120.1608 55.3638 43.5307 174.0530 126 S 4.7461 8.6662 115.0583 57.2057 65.3854 174.6688 127 E 4.0461 9.2073 121.0767 60.1213 29.2282 179.9858 128 G 3.7239 8.2807 104.4451 47.8299 0.0000 175.2981 129 A 4.0307 7.8685 122.2213 55.5005 18.5129 179.3397 130 R 3.8028 8.2077 116.6592 58.9536 30.0592 178.8300 131 E 3.9180 8.5399 118.1338 59.7185 29.3772 179.9522 132 K 3.9062 7.9950 117.9301 59.7085 32.3443 179.5085 133 V 3.6234 8.0272 118.4539 66.1213 31.2743 177.9535 134 E 4.8975 8.0960 120.1131 58.7188 29.2379 179.2967 135 G 3.7349 8.4147 104.6634 46.6818 0.0000 173.7129 136 A 4.6116 7.7069 123.4823 51.7488 19.5400 176.8776 137 G 4.2262 8.3112 105.4895 48.6879 0.0000 173.6558 138 G 4.4736 7.8051 105.2132 43.9383 0.0000 172.4266 139 S 5.0608 9.2227 113.2627 56.3980 66.9864 173.3705 140 V 4.5534 8.1515 120.1117 61.2246 33.8209 174.2194 141 E 4.5808 9.3912 128.4661 54.5443 31.5740 174.9561 142 L 4.9314 8.4693 127.2621 54.5707 43.0513 176.4860 143 T 4.1323 8.8191 123.3712 63.6485 69.6492 175.1836 144 D 4.3746 8.7406 121.6030 57.4232 41.1415 179.0685 145 L 3.9698 8.0089 120.2268 57.8208 42.4641 178.1277 146 G 3.8349 7.8316 107.1898 47.3816 0.0000 174.8036 147 E 4.4215 7.8899 119.9603 56.8870 29.1499 176.9773 148 E 4.7877 8.4368 114.4931 56.4054 30.1243 178.4498 149 R 4.5557 7.4980 116.3833 52.0987 30.8243 176.2243 150 Q 4.3091 7.8825 121.4151 56.8582 29.3282 173.0730 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 1 T 8.16 4.29 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 2 S 8.31 4.48 0.00 4.09 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 3 K 9.16 4.03 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.09 3.83 0.00 1.83 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.50 4.02 0.00 1.68 2.06 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 6 R 7.56 4.38 0.00 1.93 1.92 0.00 3.20 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 Q 8.38 4.16 0.00 1.83 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.95 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 8 R 7.55 3.97 0.00 1.79 1.91 0.00 3.35 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 9.04 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 10 S 7.92 4.26 0.00 4.00 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 11 R 8.08 4.14 0.00 1.97 2.09 0.00 3.20 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 12 T 7.63 4.26 4.31 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 1.33 0.00 0.00 13 H 8.55 4.76 0.00 3.32 3.42 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.63 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 15 G 8.09 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 16 G 7.88 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 17 S 8.58 4.14 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.97 4.23 0.00 3.30 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.61 4.05 0.00 1.71 1.80 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.26 1.25 7.81 20 N 8.00 4.35 0.00 2.75 2.55 0.00 0.00 6.95 6.24 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 21 R 7.49 4.32 0.00 1.76 1.91 0.00 3.18 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 22 R 7.11 4.58 0.00 1.75 0.93 0.00 3.26 0.00 0.00 3.20 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 23 G 8.53 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 24 A 8.64 4.29 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 25 G 8.04 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 0.00 0.00 0.00 26 H 7.91 4.48 0.00 3.12 3.49 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.07 4.49 0.00 2.05 1.93 0.00 3.27 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 28 G 7.90 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 29 G 8.27 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 30 R 8.38 4.08 0.00 1.91 1.81 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 31 G 8.27 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 32 D 8.63 4.72 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.47 4.08 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 34 G 8.98 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 35 R 7.99 4.00 0.00 1.69 1.91 0.00 3.01 0.00 0.00 3.27 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 36 D 7.91 4.98 0.00 2.74 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 37 K 8.23 4.23 0.00 1.76 1.68 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.34 1.36 7.81 38 H 9.34 4.62 0.00 3.31 3.46 0.00 5.47 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 39 E 8.15 4.77 0.00 1.94 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 2.23 2.12 0.00 40 F 8.19 5.05 0.00 3.05 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 41 H 6.84 3.63 0.00 2.93 3.09 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.91 4.31 0.00 2.84 2.90 0.00 0.00 6.89 8.16 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 43 H 8.07 4.95 0.00 3.27 3.19 0.00 5.90 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 44 E 8.66 4.21 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.41 0.00 2.18 2.09 0.00 3.79 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 2.02 0.00 46 L 8.02 4.14 0.00 1.65 1.65 0.90 0.94 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 47 G 8.13 4.07 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 0.00 0.00 0.00 48 K 8.14 4.61 0.00 1.75 1.75 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.36 4.38 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.97 4.07 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 0.00 0.00 0.00 51 F 8.48 5.04 0.00 3.10 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 52 K 8.27 4.26 0.00 1.66 1.60 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.21 1.35 7.81 53 R 8.04 4.43 0.00 1.72 1.85 0.00 3.33 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.35 0.00 54 P 0.00 4.28 0.00 2.22 2.22 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 8.98 3.90 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.11 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.44 0.00 1.86 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 7.97 4.33 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 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.58 4.60 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.56 6.37 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 59 E 8.58 4.50 0.00 1.93 1.78 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 2.54 2.28 0.00 60 E 8.40 4.46 0.00 1.94 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 2.16 2.19 0.00 61 A 8.27 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.07 4.53 1.22 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 0.00 0.00 0.00 63 T 8.13 5.50 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 1.19 0.00 0.00 64 I 7.82 4.37 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 1.33 1.19 0.93 0.00 0.00 65 D 8.54 5.24 0.00 2.63 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 66 V 8.58 3.56 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 0.92 0.00 0.00 1.00 0.00 0.00 67 R 7.85 3.87 0.00 1.93 2.03 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 68 E 8.18 3.85 0.00 1.98 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 2.31 2.34 0.00 69 I 7.84 3.69 2.01 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 1.52 0.72 0.90 0.00 0.00 70 D 8.58 4.35 0.00 2.84 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 71 E 8.54 4.15 0.00 1.92 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 2.34 2.61 0.00 72 N 8.00 5.01 0.00 2.67 2.70 0.00 0.00 6.83 7.04 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 73 V 7.48 3.21 0.73 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 0.49 0.00 0.00 0.30 0.00 0.00 74 T 7.67 3.84 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 1.17 0.00 0.00 75 L 7.18 4.07 0.00 1.55 1.76 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.76 4.41 0.00 1.83 1.64 0.88 0.65 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 77 A 8.04 3.99 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 78 A 7.74 4.48 1.29 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 0.00 0.00 0.00 79 D 8.26 4.58 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.55 4.24 0.00 3.00 2.66 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 81 V 8.33 4.55 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 0.38 0.00 0.00 0.97 0.00 0.00 82 A 8.10 4.23 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 83 E 8.97 3.80 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 *89 F 7.75 4.62 0.00 3.01 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 90 R 8.74 5.24 0.00 1.83 1.81 0.00 3.22 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.78 4.49 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 0.69 0.00 0.00 0.95 0.00 0.00 92 D 8.77 4.76 0.00 2.73 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 93 V 8.52 3.61 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 0.86 0.00 0.00 0.97 0.00 0.00 94 R 7.66 3.45 0.00 1.98 2.02 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 95 D 8.03 4.58 0.00 2.82 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 96 V 8.31 3.93 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 0.80 0.00 0.00 0.93 0.00 0.00 97 V 7.24 3.62 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 0.83 0.00 0.00 0.96 0.00 0.00 98 E 8.58 4.17 0.00 2.06 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 2.38 2.31 0.00 99 E 9.08 4.14 0.00 2.17 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 2.26 2.23 0.00 100 A 7.54 4.42 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.00 4.72 0.00 2.63 2.68 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 0.00 102 D 7.98 4.58 0.00 2.80 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 0.00 103 A 7.55 4.80 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 0.00 104 D 8.79 4.15 0.00 2.53 2.47 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 0.00 105 Y 6.32 4.89 0.00 3.14 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 0.00 106 V 8.97 4.76 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 0.87 0.00 0.00 0.93 0.00 0.00 107 K 9.52 4.78 0.00 2.01 1.67 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.32 7.81 108 V 8.36 4.58 1.79 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 1.02 0.00 0.00 0.74 0.00 0.00 109 L 9.28 4.75 0.00 1.72 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.81 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 0.00 111 A 8.13 4.67 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 0.00 112 G 8.82 4.07 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 0.00 0.00 0.00 113 Q 8.14 4.51 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 114 V 7.91 4.31 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.73 4.40 0.00 1.61 1.81 0.00 3.11 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 116 H 7.80 5.25 0.00 3.03 3.32 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.83 4.96 0.00 2.02 2.26 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 2.31 2.28 0.00 118 L 8.63 5.12 0.00 1.64 1.63 1.00 0.74 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 0.00 119 T 8.84 5.06 4.38 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 1.24 0.00 0.00 120 L 8.78 5.29 0.00 1.82 1.86 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.70 5.43 1.94 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 1.18 1.91 0.98 0.00 0.00 122 A 8.63 4.78 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.64 4.38 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.25 4.58 0.00 2.46 2.29 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 0.00 125 F 9.00 5.62 0.00 2.82 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 0.00 126 S 8.67 4.75 0.00 3.93 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 0.00 127 E 9.21 4.05 0.00 2.05 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 2.42 2.43 0.00 128 G 8.28 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 0.00 0.00 0.00 129 A 7.87 4.03 1.56 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 0.00 0.00 130 R 8.21 3.80 0.00 2.02 1.88 0.00 3.16 0.00 0.00 3.08 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 131 E 8.54 3.92 0.00 2.00 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 2.34 2.53 0.00 132 K 8.00 3.91 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.72 7.81 133 V 8.03 3.62 2.13 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 1.10 0.00 0.00 1.05 0.00 0.00 134 E 8.10 4.90 0.00 2.02 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 2.39 2.32 0.00 135 G 8.41 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 0.00 0.00 0.00 136 A 7.71 4.61 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.81 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 0.00 0.00 0.00 0.00 139 S 9.22 5.06 0.00 3.76 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 0.00 140 V 8.15 4.55 1.65 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 -1.01 0.00 0.00 0.53 0.00 0.00 141 E 9.39 4.58 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 142 L 8.47 4.93 0.00 1.66 1.61 1.23 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.82 4.13 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 144 D 8.74 4.37 0.00 2.71 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 0.00 145 L 8.01 3.97 0.00 1.61 1.83 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.83 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 0.00 147 E 7.89 4.42 0.00 2.11 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 2.35 2.45 0.00 148 E 8.44 4.79 0.00 1.79 1.85 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 2.20 2.51 0.00 149 R 7.50 4.56 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 150 Q 7.88 4.31 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.