NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 V 4.0825 8.0549 120.3925 62.7968 31.9986 175.0116 18 N 4.2965 8.7472 125.9818 54.2017 38.9419 173.8208 19 G 3.9621 6.9435 105.5690 45.5348 0.0000 170.5737 20 E 4.7734 8.2359 116.3215 53.8922 32.8261 174.9481 21 D 4.4213 8.5890 118.8134 54.4627 41.4141 176.2017 22 A 4.7249 8.3846 125.4315 50.6487 20.7960 177.1233 23 I 3.6825 8.0471 121.8060 60.1614 37.7557 174.3217 24 P 4.0407 0.0000 0.0000 64.0071 31.4225 176.8505 25 G 3.8061 8.7731 110.3391 45.5090 0.0000 174.2007 26 S 3.7610 7.5655 114.2653 59.6627 62.5874 174.2416 27 W 4.0039 7.0812 119.8096 53.0850 28.8391 173.5281 28 P 4.0588 0.0000 0.0000 64.8908 31.4177 179.1516 29 W 5.0346 6.7781 113.7901 56.9097 28.7401 175.0521 30 Q 4.8084 7.3587 121.8750 56.1755 28.3715 175.4497 31 V 4.7027 8.9666 120.2766 59.7814 35.6363 174.5573 32 S 4.8617 8.5672 115.9286 56.5912 64.9698 172.5150 33 L 4.9097 8.5454 127.8544 53.8832 43.1642 175.9264 34 Q 5.4874 9.1215 121.3280 53.3694 34.1976 173.0502 35 D 5.6614 8.6827 118.9848 50.3105 42.6592 176.8250 36 K 4.0610 8.9428 117.0794 59.1596 32.3116 177.2638 37 T 4.2738 8.0990 108.7681 61.9282 69.7371 175.6813 38 G 3.7464 8.8266 110.2920 45.4341 0.0000 172.5789 39 F 4.5629 7.9566 118.2872 55.0020 40.4221 175.0227 40 H 4.4432 8.8409 126.1601 56.6807 29.9984 174.6645 41 F 4.9433 8.5402 118.6789 55.8619 39.6455 173.2079 42 C 4.7744 6.4310 117.9291 57.0116 43.9813 172.7400 43 G 4.3876 8.3110 107.9491 45.0365 0.0000 172.0479 44 G 4.3999 8.0613 104.4519 45.6284 0.0000 172.5903 45 S 5.4717 8.8393 114.3463 56.3288 66.7787 173.4501 46 L 4.8047 9.2893 123.7296 54.3040 42.0296 177.3147 47 I 4.2568 8.2537 117.0701 60.6683 38.3013 175.0844 48 S 4.8336 7.5515 115.7505 58.7287 66.5642 174.8623 49 E 4.5265 8.5928 117.8072 57.8437 30.0971 176.8155 50 D 4.8910 8.1276 117.3430 52.5433 41.6781 175.0205 51 W 5.4327 8.2196 119.6969 55.1036 32.7848 174.2974 52 V 5.0711 9.2000 124.2420 61.0870 34.4068 174.5189 53 V 4.8482 9.1133 127.0872 61.2183 34.3117 175.2736 54 T 4.7616 8.5366 115.2365 62.0384 71.1106 171.8535 55 A 4.8383 8.4216 121.3654 50.3918 21.9595 177.8032 56 A 4.1153 8.7587 123.1453 54.6254 18.4815 179.8468 57 H 4.5306 7.8617 108.3320 57.5296 28.5052 176.8001 58 C 4.4174 7.6758 116.7057 57.7065 40.9161 173.6883 59 G 3.8872 8.0466 108.0563 46.4192 0.0000 173.4676 60 V 4.2389 7.4510 117.0158 62.4742 33.1917 175.0213 61 K 4.7563 9.1408 124.8824 54.4773 35.2685 177.6047 62 T 3.7733 8.4596 117.2189 66.2549 68.3959 175.3069 63 S 4.3440 7.9488 114.0157 59.1510 62.8561 172.9508 64 D 5.1260 8.6226 120.4982 53.7685 43.3583 176.0336 65 V 4.4462 8.4085 114.3922 59.8100 35.3435 175.1374 66 V 4.2663 8.5852 122.2419 61.3077 33.6410 174.4744 67 V 4.5274 8.5695 129.3905 61.9998 32.5736 174.8674 68 A 4.8838 8.8393 129.4744 50.0436 22.5228 175.9426 69 G 4.2944 8.6373 104.6295 46.0353 0.0000 173.4123 70 E 4.7939 8.2413 118.3496 54.3621 31.8797 174.7134 71 F 4.8341 8.7980 120.8579 59.0709 42.2253 174.1900 72 D 4.6122 8.4881 120.3503 52.1494 41.9072 175.0208 73 Q 4.1905 8.7452 127.5914 57.0631 29.8392 177.1087 74 G 3.7240 9.2315 108.1493 46.9443 0.0000 174.7561 75 S 4.2341 9.0017 111.4995 57.2864 64.1625 176.8999 76 D 4.2128 9.2650 112.3515 55.0890 38.4056 174.7370 77 E 4.3660 8.1069 130.9177 55.7160 28.1543 177.4324 78 E 4.0920 7.7209 116.6472 55.7695 30.7913 177.2881 79 N 4.4655 8.6411 118.3867 53.2887 36.3691 173.7394 80 I 4.7148 8.0119 117.4072 59.3099 40.4806 174.8718 81 Q 4.4584 8.3776 123.9913 54.5581 30.6756 175.1950 82 V 4.5928 8.3893 125.3856 61.6037 30.8602 175.2552 83 L 4.3026 9.0705 127.4176 54.2126 43.1127 175.6872 84 K 4.7954 8.7646 122.7899 54.9470 34.8023 174.8159 85 I 4.7737 8.2954 126.0920 60.1936 38.2802 174.8869 86 A 4.5533 9.4090 129.0849 53.1685 20.6130 176.8430 87 Q 4.6095 7.8139 111.9350 54.1421 33.8084 174.7072 88 V 4.6814 7.8440 119.5205 61.5338 34.5838 174.8874 89 F 4.6876 9.8722 127.4624 55.5209 40.5429 173.2809 90 K 4.5223 8.4851 124.7053 55.0502 32.8087 175.4781 91 N 4.3965 8.5935 126.5441 53.9183 38.8891 173.0952 92 P 4.5232 0.0000 0.0000 64.6103 32.0672 176.7500 93 K 4.4208 8.9212 118.6834 56.2166 31.8975 175.6298 94 F 4.9583 8.0281 121.0850 55.7390 40.6564 174.4856 95 N 4.7337 7.7127 123.6537 51.6827 41.7133 174.5362 96 M 4.2578 8.2007 116.7720 55.6617 32.6381 176.9691 97 F 4.8509 8.0652 121.0708 59.9315 40.3187 176.4264 98 T 3.9297 7.4985 106.4548 61.2630 69.9084 174.9297 99 V 3.3874 6.7975 116.9801 63.3964 29.4268 171.6717 100 R 4.6878 7.3655 123.3129 54.0102 34.0562 175.2612 101 N 4.1569 8.7101 113.7622 54.6050 36.1385 176.7056 102 D 4.4096 7.8062 117.2962 53.8083 39.2768 174.7636 103 I 4.8663 7.4055 121.1623 59.3007 42.4738 173.4213 104 T 5.1820 8.6515 123.4575 62.2503 73.4766 172.4976 105 L 5.2049 9.1632 126.1248 53.1400 44.3425 175.2796 106 L 5.2439 9.7550 124.3966 52.9147 44.5640 175.1936 107 K 4.2007 8.8090 124.9773 54.4644 33.9448 175.1257 108 L 4.6882 8.0029 127.6462 54.4778 42.1538 177.1717 109 A 4.1931 9.5721 127.0488 54.7721 18.8603 177.9357 110 T 4.6215 7.7327 104.3882 59.4911 70.7978 173.0206 111 P 4.8140 0.0000 0.0000 62.0439 33.4841 174.3843 112 A 4.7027 8.5902 122.0267 50.6772 20.6637 177.3271 113 Q 4.3469 8.8339 121.3529 54.3750 28.9626 176.2161 114 F 4.8402 8.7942 123.5340 58.3800 39.9852 175.8647 115 S 4.6374 9.1256 116.9270 58.5158 65.9488 175.5873 116 E 3.9668 9.1362 118.7224 59.5326 29.5944 177.8327 117 T 4.4008 7.6996 107.3952 60.7046 69.1215 173.9850 118 V 4.2934 7.5616 122.9093 62.8048 33.3739 172.7566 119 S 3.8416 8.2271 120.9876 57.1428 66.7561 172.4618 120 A 5.3466 7.4675 120.4718 50.5305 21.3784 176.4392 121 V 3.8911 8.4791 119.2855 59.5956 33.2305 176.2292 122 S 4.1398 8.2382 117.8984 58.3180 62.9746 173.3864 123 L 4.5581 8.1377 126.5749 52.6668 43.4355 174.3900 124 P 4.7486 0.0000 0.0000 61.7529 33.6195 174.2688 125 N 4.9410 8.2514 114.3163 51.2894 40.3287 176.5823 126 V 3.0395 8.3976 120.9402 65.3716 31.5358 176.3779 127 D 4.8294 7.9145 116.2596 53.0184 39.7515 175.4703 128 D 4.6039 8.6831 121.2851 53.6736 41.9053 175.4801 129 D 4.5153 7.8400 121.0280 52.7109 44.2489 175.1506 130 F 4.5565 8.5324 125.3123 54.4702 38.3278 173.5179 131 P 4.3412 0.0000 0.0000 61.9461 31.5426 174.4930 132 P 4.4074 0.0000 0.0000 63.8170 31.6436 176.4214 133 G 4.1409 9.0393 111.3749 45.8670 0.0000 174.2860 134 T 4.0745 7.2754 109.4755 61.3449 69.4648 174.1253 135 V 4.0746 8.1722 124.0198 62.1709 32.5781 174.7033 136 C 4.8810 8.3692 122.6511 57.9489 32.0770 172.7571 137 A 4.7235 8.1746 122.8778 50.7010 21.1495 175.9764 138 T 4.4672 7.7647 113.1500 60.3782 70.5371 173.2784 139 T 4.3428 8.7295 116.6110 58.9916 71.8110 173.1550 140 G 3.8467 7.2402 111.0517 46.0008 0.0000 172.1615 141 W 4.3703 8.6876 116.4374 56.0299 29.0309 177.0625 142 G 3.8086 8.1837 105.0226 46.1987 0.0000 173.7736 143 K 4.4370 8.2731 121.0828 54.6798 32.4843 175.4363 144 T 4.7224 8.2500 116.2396 59.8061 71.3043 174.3051 145 K 4.2462 8.8635 126.1136 59.0741 32.9654 176.8732 *146 Y 4.2980 7.5717 120.1245 56.8942 37.9222 176.5068 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 17 V 8.05 4.08 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 0.99 0.00 0.00 0.93 0.00 0.00 18 N 8.75 4.30 0.00 2.82 2.84 0.00 0.00 7.01 6.77 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 19 G 6.94 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 20 E 8.24 4.77 0.00 2.03 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 2.19 2.34 0.00 21 D 8.59 4.42 0.00 2.74 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 22 A 8.38 4.72 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.05 3.68 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.72 0.00 0.00 24 P 0.00 4.04 0.00 1.70 1.29 0.00 3.32 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 0.00 25 G 8.77 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.57 3.76 0.00 3.77 2.97 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 27 W 7.08 4.00 0.00 3.05 2.46 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 28 P 0.00 4.06 0.00 2.23 2.15 0.00 2.20 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 29 W 6.78 5.03 0.00 3.60 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.36 4.81 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.59 0.00 31 V 8.97 4.70 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 0.91 0.00 0.00 1.05 0.00 0.00 32 S 8.57 4.86 0.00 3.18 3.40 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 33 L 8.55 4.91 0.00 1.04 1.08 0.83 0.67 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 34 Q 9.12 5.49 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.51 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 35 D 8.68 5.66 0.00 2.64 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 36 K 8.94 4.06 0.00 1.89 2.00 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.45 7.81 37 T 8.10 4.27 4.72 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 1.27 0.00 0.00 38 G 8.83 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 0.00 0.00 0.00 39 F 7.96 4.56 0.00 3.20 3.02 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 40 H 8.84 4.44 0.00 2.81 3.07 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.54 4.94 0.00 3.10 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 42 C 6.43 4.77 0.00 1.72 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.31 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 0.00 0.00 0.00 0.00 44 G 8.06 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 0.00 0.00 0.00 0.00 45 S 8.84 5.47 0.00 4.05 4.03 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 46 L 9.29 4.80 0.00 1.97 1.81 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.25 4.26 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.91 0.00 0.00 48 S 7.55 4.83 0.00 4.11 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 0.00 49 E 8.59 4.53 0.00 2.06 1.23 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 2.15 2.18 0.00 50 D 8.13 4.89 0.00 2.47 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 51 W 8.22 5.43 0.00 3.33 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 52 V 9.20 5.07 2.19 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 1.12 0.00 0.00 1.04 0.00 0.00 53 V 9.11 4.85 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 0.62 0.00 0.00 0.94 0.00 0.00 54 T 8.54 4.76 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 1.24 0.00 0.00 55 A 8.42 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.76 4.12 0.39 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 57 H 7.86 4.53 0.00 3.43 3.70 0.00 5.53 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 58 C 7.68 4.42 0.00 3.27 3.31 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 59 G 8.05 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 60 V 7.45 4.24 2.16 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 1.01 0.00 0.00 1.07 0.00 0.00 61 K 9.14 4.76 0.00 1.72 1.62 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.45 7.81 62 T 8.46 3.77 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 63 S 7.95 4.34 0.00 3.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.62 5.13 0.00 2.82 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 65 V 8.41 4.45 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 0.87 0.00 0.00 0.94 0.00 0.00 66 V 8.59 4.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 67 V 8.57 4.53 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 0.82 0.00 0.00 0.89 0.00 0.00 68 A 8.84 4.88 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 69 G 8.64 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 0.00 0.00 0.00 0.00 70 E 8.24 4.79 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.53 0.00 71 F 8.80 4.83 0.00 3.08 3.30 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 72 D 8.49 4.61 0.00 2.60 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 73 Q 8.75 4.19 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 74 G 9.23 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 75 S 9.00 4.23 0.00 3.94 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 76 D 9.26 4.21 0.00 2.83 2.89 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 77 E 8.11 4.37 0.00 1.96 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 2.31 2.30 0.00 78 E 7.72 4.09 0.00 2.12 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 2.33 2.38 0.00 79 N 8.64 4.47 0.00 2.87 2.94 0.00 0.00 5.94 7.81 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 80 I 8.01 4.71 1.88 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 1.34 0.58 0.99 0.00 0.00 81 Q 8.38 4.46 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 82 V 8.39 4.59 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 0.77 0.00 0.00 0.92 0.00 0.00 83 L 9.07 4.30 0.00 1.71 1.58 0.98 0.97 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 84 K 8.76 4.80 0.00 1.82 1.62 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 85 I 8.30 4.77 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 1.00 0.00 0.00 86 A 9.41 4.55 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 7.81 4.61 0.00 2.15 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 88 V 7.84 4.68 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 0.83 0.00 0.00 0.93 0.00 0.00 89 F 9.87 4.69 0.00 3.27 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 90 K 8.49 4.52 0.00 1.80 1.78 0.00 1.89 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.43 7.81 91 N 8.59 4.40 0.00 2.94 2.92 0.00 0.00 7.31 7.73 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 92 P 0.00 4.52 0.00 2.27 2.22 0.00 3.87 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 2.03 2.04 0.00 93 K 8.92 4.42 0.00 1.93 1.92 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.41 7.81 94 F 8.03 4.96 0.00 3.25 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 95 N 7.71 4.73 0.00 2.68 2.60 0.00 0.00 7.09 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 96 M 8.20 4.26 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 97 F 8.07 4.85 0.00 2.80 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 98 T 7.50 3.93 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 0.94 0.00 0.00 99 V 6.80 3.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.98 0.00 0.00 100 R 7.37 4.69 0.00 1.91 1.85 0.00 3.32 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 101 N 8.71 4.16 0.00 2.91 2.89 0.00 0.00 6.85 8.06 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 0.00 102 D 7.81 4.41 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 7.41 4.87 1.85 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 1.33 1.24 0.94 0.00 0.00 104 T 8.65 5.18 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 105 L 9.16 5.20 0.00 1.78 1.94 0.60 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.75 5.24 0.00 1.65 1.62 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.81 4.20 0.00 1.09 1.59 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.07 7.81 108 L 8.00 4.69 0.00 1.64 1.73 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 109 A 9.57 4.19 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 7.73 4.62 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 111 P 0.00 4.81 0.00 2.03 2.05 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.92 0.00 112 A 8.59 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 0.00 113 Q 8.83 4.35 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 114 F 8.79 4.84 0.00 2.97 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 0.00 115 S 9.13 4.64 0.00 3.90 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 0.00 116 E 9.14 3.97 0.00 1.96 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 2.29 2.29 0.00 117 T 7.70 4.40 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 118 V 7.56 4.29 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 1.01 0.00 0.00 0.98 0.00 0.00 119 S 8.23 3.84 0.00 3.62 3.78 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 0.00 120 A 7.47 5.35 1.32 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 0.00 0.00 121 V 8.48 3.89 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 0.00 0.00 0.44 0.00 0.00 -0.05 0.00 0.00 122 S 8.24 4.14 0.00 3.78 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 0.00 123 L 8.14 4.56 0.00 1.62 1.52 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.75 0.00 2.25 2.28 0.00 3.73 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 2.01 2.10 0.00 125 N 8.25 4.94 0.00 2.75 2.71 0.00 0.00 7.06 7.27 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 0.00 126 V 8.40 3.04 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 0.80 0.00 0.00 0.91 0.00 0.00 127 D 7.91 4.83 0.00 2.75 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 0.00 128 D 8.68 4.60 0.00 2.77 2.38 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 0.00 129 D 7.84 4.52 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 F 8.53 4.56 0.00 3.05 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 0.00 131 P 0.00 4.34 0.00 2.22 2.21 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 132 P 0.00 4.41 0.00 2.07 2.05 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 133 G 9.04 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 7.28 4.07 4.32 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 1.36 0.00 0.00 135 V 8.17 4.07 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 0.84 0.00 0.00 0.95 0.00 0.00 136 C 8.37 4.88 0.00 2.85 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 0.00 137 A 8.17 4.72 0.96 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 0.00 138 T 7.76 4.47 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 1.09 0.00 0.00 139 T 8.73 4.34 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 140 G 7.24 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 8.69 4.37 0.00 3.18 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 0.00 142 G 8.18 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.27 4.44 0.00 1.92 1.88 0.00 1.86 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.50 7.81 144 T 8.25 4.72 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 1.25 0.00 0.00 145 K 8.86 4.25 0.00 1.89 2.01 0.00 1.83 0.00 0.00 1.97 0.00 0.00 3.24 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.59 7.81 *146 Y 7.57 4.30 0.00 2.31 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.