NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 M 3.7577 8.4045 120.3264 55.0953 33.2207 175.1830 6 R 4.2378 7.9546 124.5986 53.5765 30.8472 168.4983 7 V 3.5796 8.1460 122.5608 63.5704 32.9156 176.0282 8 G 3.9450 9.2114 116.1552 44.8034 0.0000 172.9274 9 E 4.2737 7.8094 121.9448 56.0503 30.6934 175.6025 10 R 5.4449 8.7280 125.0291 54.4767 33.4833 174.8801 11 F 5.1974 9.3916 124.5668 56.6723 42.7216 173.5966 12 T 5.3026 7.8531 114.7549 59.2047 71.7563 172.7409 13 H 4.5552 8.0819 121.3898 54.4973 33.1730 171.4390 14 D 5.3247 8.5497 124.7286 52.5681 43.8283 175.7012 15 F 4.5270 8.8172 124.5414 56.6418 42.7448 173.4747 16 V 3.8430 7.7397 127.2339 62.4475 32.2733 175.4590 17 V 3.6222 8.2831 129.2713 61.8882 32.3577 174.1580 18 P 4.7593 0.0000 0.0000 60.6741 32.8972 174.9555 19 P 4.2267 0.0000 0.0000 65.7970 31.1788 177.2109 20 H 4.1210 7.9548 110.9487 55.4530 28.7918 175.3277 21 K 3.7354 7.7080 118.8871 56.4799 32.4256 176.4799 22 T 5.2740 7.5297 110.2279 59.4664 71.2569 175.5060 23 V 3.4107 8.4895 119.8956 66.2210 31.3705 177.9602 24 R 4.0169 8.2810 118.3361 59.6532 29.9687 178.0179 25 H 4.6011 8.0512 112.7592 57.3528 29.3994 176.6343 26 L 3.8442 7.9747 120.8141 57.5838 42.1468 176.8378 27 Y 5.0387 7.4504 117.4301 54.0498 38.0825 174.1480 28 P 4.6620 0.0000 0.0000 63.5588 32.0949 177.0110 29 E 4.2749 8.2829 116.0032 56.2547 30.0515 175.3600 30 S 4.7234 7.7821 115.2548 56.0636 62.9499 171.8720 31 P 4.4358 0.0000 0.0000 65.5967 31.4759 178.7850 32 E 3.9678 8.0811 116.7229 59.2688 29.6775 178.1257 33 F 4.3928 8.7040 116.9868 59.2157 39.3761 177.6898 34 A 4.2082 7.6765 123.1481 54.3694 18.2240 177.6610 35 E 4.8293 8.1139 114.9538 56.1404 30.3359 176.3159 36 F 4.4574 8.3123 116.8316 56.0317 39.9853 174.3238 37 P 4.3773 0.0000 0.0000 63.1792 32.1213 177.4085 38 E 4.4701 8.5455 121.8336 56.1044 28.0464 176.3380 39 V 4.8349 7.1793 113.3651 58.8422 36.5158 176.4380 40 F 4.9269 9.0117 125.6798 58.7996 39.6463 174.9765 41 A 4.1523 8.8257 128.5152 52.0976 19.2738 178.4003 42 T 3.7310 8.7369 118.0977 66.8185 68.6581 177.3679 43 G 3.6319 7.8511 106.8514 47.7176 0.0000 175.4263 44 F 4.4266 7.3864 119.3247 60.3194 39.1159 177.4753 45 M 3.9497 7.6063 118.2022 58.2292 31.8697 178.2949 46 V 3.6181 8.1549 119.0897 66.0548 31.6517 178.0987 47 G 3.7021 8.0024 105.2800 47.9392 0.0000 175.2971 48 L 4.2190 8.3116 122.9453 58.0842 42.1973 179.0654 49 M 4.0462 8.2288 118.7137 58.2731 31.8468 178.3024 50 E 3.8186 8.3421 119.0658 59.2850 29.6151 178.9613 51 W 4.4730 8.3700 127.9960 60.9493 30.6489 177.6534 52 A 3.7288 7.8540 119.7390 55.3355 17.6655 179.4078 53 C 3.0162 7.3156 113.6264 62.1542 28.2540 176.1402 54 V 3.5612 7.8697 120.2116 66.2830 30.8041 178.3889 55 R 3.8297 8.0520 116.2592 59.1734 29.9730 178.5630 56 A 3.8879 7.4702 119.6000 55.1915 18.6738 179.2303 57 M 4.3896 8.3894 115.1081 57.6327 31.4992 178.3762 58 A 3.9611 7.7749 123.4935 54.9493 18.4636 177.1830 59 P 4.3990 0.0000 0.0000 63.6020 31.2899 176.1361 60 Y 4.4270 8.3386 115.7855 58.0564 38.5152 175.4628 61 L 4.6932 7.6597 120.9653 53.3190 43.1952 176.5156 62 E 4.2224 9.4832 123.3903 54.8820 30.2042 174.6516 63 P 4.2685 0.0000 0.0000 64.8017 31.4726 176.5168 64 G 3.9104 8.9047 108.5938 45.8871 0.0000 172.3778 65 E 4.9265 8.4633 119.5703 55.0322 31.3472 176.1586 66 G 4.4439 8.3513 110.3736 45.9752 0.0000 171.1975 67 S 5.1655 8.3143 112.9726 57.4871 65.6417 174.4670 68 L 4.7833 8.4292 121.2479 52.5378 45.5413 176.1050 69 G 4.1060 8.7770 109.9473 46.8008 0.0000 173.3482 70 T 4.7291 8.7715 115.0505 61.6677 70.3472 174.1989 71 A 4.6268 7.5611 121.9178 51.3580 22.6122 174.9904 72 I 4.9833 8.2619 119.7919 59.7314 41.4340 174.2158 73 C 4.6859 9.4003 129.4118 58.2346 33.8821 172.7713 74 V 5.1438 8.1936 118.0550 60.1520 35.4761 174.8380 75 T 4.4885 8.6745 112.8822 61.1575 71.3301 173.5954 76 H 5.2517 8.7343 121.8130 54.9743 31.4659 172.4603 77 T 4.7227 9.6476 114.8779 61.2212 69.6004 173.7491 78 A 4.6178 7.9404 123.0777 51.0728 22.3242 175.0815 79 A 4.8673 8.2960 120.8431 50.7956 21.7864 177.0359 80 T 4.6466 8.2902 115.4993 61.0323 72.2812 172.1735 81 P 4.9995 0.0000 0.0000 61.5377 33.0427 174.3395 82 P 4.4250 0.0000 0.0000 64.0773 31.8120 175.7073 83 G 4.0638 8.8932 109.4865 45.7054 0.0000 174.6270 84 L 4.2263 7.3217 118.1998 54.7527 43.4684 176.4858 85 T 4.5424 8.2253 118.3613 62.6168 70.2760 173.8650 86 V 4.4083 8.8128 127.6590 62.2328 33.2558 174.5466 87 T 4.8161 8.6228 125.3328 61.8731 70.7686 173.4999 88 V 4.7649 8.5803 127.0194 61.4154 34.0498 174.2346 89 T 5.0243 8.9468 124.8107 61.8110 70.8350 173.0688 90 A 5.1899 9.0894 129.0192 50.1435 21.7124 174.7788 91 E 5.1279 9.6151 124.1071 53.9846 32.6940 174.7650 92 L 3.7821 8.8438 130.0468 55.3354 42.3910 177.2157 93 R 4.3833 8.5677 125.6163 57.1342 32.1152 176.5565 94 S 4.5305 7.1467 110.4509 57.3268 65.8812 174.4763 95 V 4.6972 8.3525 123.1440 61.3887 34.4575 175.7124 96 E 4.6200 8.7636 123.9267 55.3571 31.4954 176.3914 97 G 3.7911 8.7135 112.9289 48.1650 0.0000 176.1042 98 R 4.0577 8.7015 125.3147 57.9661 30.9805 179.1075 99 R 5.0764 7.8158 116.4658 55.6631 32.9426 179.8239 100 L 4.9795 8.8381 124.6226 51.9473 45.0785 175.6833 101 S 4.9757 8.5519 116.6469 56.4006 65.5734 172.5020 102 W 5.1585 9.6195 127.4510 54.9544 31.9102 175.0434 103 R 4.8807 9.3033 125.2514 55.7476 30.9747 175.3334 104 V 5.1779 8.9139 120.4360 59.7270 34.7504 175.0083 105 S 5.2315 9.1207 117.6944 56.9126 67.0671 172.6030 106 A 5.8540 9.4301 121.9031 49.9091 22.7921 174.7881 107 H 5.5780 8.6189 115.3568 53.5190 32.9437 173.1194 108 D 5.4311 8.5383 115.0826 52.1042 39.3676 177.2198 109 G 4.0945 9.0534 110.0223 45.8962 0.0000 174.5792 110 V 4.2014 8.0093 115.8073 63.8713 33.5111 174.9933 111 D 5.0381 8.6555 118.6241 51.7239 44.2076 175.1805 112 E 4.3017 8.8348 121.4020 57.1401 29.9245 176.9560 113 I 4.4832 8.6962 116.2648 60.4268 40.3791 175.5930 114 G 4.4441 7.4505 109.7576 46.1242 0.0000 171.9882 115 S 5.0686 8.5621 114.6901 55.3638 66.2313 174.1808 116 G 4.2204 7.8861 112.9121 46.2807 0.0000 171.5331 117 T 5.2533 8.5155 113.2853 60.1730 72.3570 173.0204 118 H 5.5001 9.3703 123.8169 54.5246 33.4916 171.9929 119 E 5.3149 8.9719 123.0856 54.8366 33.4871 175.0318 120 R 5.1901 9.0426 120.3258 54.5982 35.6379 173.8435 121 A 5.0597 8.7996 122.1110 49.8480 21.9580 175.9141 122 V 4.2011 8.7652 124.3245 63.2843 32.2364 175.3611 123 I 4.6961 8.9535 123.3422 59.8848 41.5265 174.8769 *124 H 4.8648 8.5966 121.8481 54.3334 28.4860 177.0772 125 L 4.0613 8.7788 125.8467 56.9719 41.5854 179.6373 126 E 3.9785 8.1528 117.9405 59.2393 29.2132 178.6094 127 K 4.2881 7.9404 117.0605 57.2488 32.5540 178.1009 128 F 3.9874 8.4687 121.4206 62.0979 38.9586 176.5966 129 N 4.4131 8.7581 115.3782 55.0351 38.2964 177.4097 130 A 3.9384 7.8377 122.9975 55.1860 18.3894 179.8193 131 K 3.8746 7.1745 115.5099 59.4272 32.3465 179.7522 132 V 3.5557 7.3699 119.5554 64.6130 31.1681 178.5040 133 R 4.2363 7.7412 120.0003 58.3626 29.7102 177.6575 134 Q 4.3786 7.8466 115.2447 56.8014 28.8235 176.3599 135 K 4.5048 7.5530 119.0967 56.8514 33.3839 175.6275 136 T 4.2960 7.5234 117.6520 62.1047 69.1853 173.3339 137 P 4.4057 0.0000 0.0000 63.0411 31.3291 176.1120 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 5 M 8.40 3.76 0.00 1.61 1.51 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.92 0.00 6 R 7.95 4.24 0.00 1.77 1.78 0.00 3.32 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 7 V 8.15 3.58 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 0.92 0.00 0.00 0.81 0.00 0.00 8 G 9.21 3.94 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 0.00 0.00 0.00 9 E 7.81 4.27 0.00 2.30 1.89 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 2.39 2.34 0.00 10 R 8.73 5.44 0.00 1.77 1.86 0.00 3.41 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 11 F 9.39 5.20 0.00 3.05 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 12 T 7.85 5.30 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 13 H 8.08 4.56 0.00 3.02 2.92 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.55 5.32 0.00 2.46 2.43 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 0.00 15 F 8.82 4.53 0.00 2.83 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 16 V 7.74 3.84 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 0.58 0.00 0.00 0.74 0.00 0.00 17 V 8.28 3.62 1.86 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 0.77 0.00 0.00 0.42 0.00 0.00 18 P 0.00 4.76 0.00 2.07 2.02 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 19 P 0.00 4.23 0.00 2.07 2.18 0.00 3.67 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 2.03 2.07 0.00 20 H 7.95 4.12 0.00 3.17 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.71 3.74 0.00 1.83 1.77 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.12 1.55 7.81 22 T 7.53 5.27 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 1.33 0.00 0.00 23 V 8.49 3.41 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 0.11 0.00 0.00 1.12 0.00 0.00 24 R 8.28 4.02 0.00 1.96 1.97 0.00 3.45 0.00 0.00 3.58 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 25 H 8.05 4.60 0.00 3.54 3.55 0.00 5.66 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 26 L 7.97 3.84 0.00 1.21 1.54 -0.19 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.45 5.04 0.00 3.28 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 28 P 0.00 4.66 0.00 2.07 2.13 0.00 3.71 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 29 E 8.28 4.27 0.00 2.17 2.23 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 2.59 2.39 0.00 30 S 7.78 4.72 0.00 3.68 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 31 P 0.00 4.44 0.00 2.19 2.08 0.00 3.59 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 32 E 8.08 3.97 0.00 1.55 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 2.17 2.32 0.00 33 F 8.70 4.39 0.00 2.92 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 34 A 7.68 4.21 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 35 E 8.11 4.83 0.00 2.05 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 2.37 0.00 36 F 8.31 4.46 0.00 3.19 3.04 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 0.00 0.00 0.00 37 P 0.00 4.38 0.00 2.07 1.99 0.00 3.64 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 38 E 8.55 4.47 0.00 2.01 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 2.38 2.33 0.00 39 V 7.18 4.83 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 40 F 9.01 4.93 0.00 3.08 3.12 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 0.00 41 A 8.83 4.15 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 42 T 8.74 3.73 4.20 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 1.18 0.00 0.00 43 G 7.85 3.63 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 0.00 0.00 0.00 44 F 7.39 4.43 0.00 2.79 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 45 M 7.61 3.95 0.00 1.92 1.65 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 46 V 8.15 3.62 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 1.02 0.00 0.00 0.92 0.00 0.00 47 G 8.00 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 0.00 0.00 0.00 48 L 8.31 4.22 0.00 1.97 1.98 0.57 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 M 8.23 4.05 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 50 E 8.34 3.82 0.00 2.14 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 1.89 2.42 0.00 51 W 8.37 4.47 0.00 3.49 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 52 A 7.85 3.73 1.17 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 53 C 7.32 3.02 0.00 2.80 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 0.00 0.00 0.00 54 V 7.87 3.56 2.32 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 1.06 0.00 0.00 0.93 0.00 0.00 55 R 8.05 3.83 0.00 1.71 1.55 0.00 3.28 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 56 A 7.47 3.89 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 57 M 8.39 4.39 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.87 0.00 58 A 7.77 3.96 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 59 P 0.00 4.40 0.00 1.84 2.03 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.02 0.00 60 Y 8.34 4.43 0.00 3.14 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 61 L 7.66 4.69 0.00 1.78 1.62 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.48 4.22 0.00 2.01 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 2.48 2.41 0.00 63 P 0.00 4.27 0.00 2.17 2.10 0.00 3.86 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 64 G 8.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.46 4.93 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 66 G 8.35 4.44 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 0.00 67 S 8.31 5.17 0.00 3.85 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 68 L 8.43 4.78 0.00 1.44 1.46 0.24 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.78 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 70 T 8.77 4.73 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 1.21 0.00 0.00 71 A 7.56 4.63 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 72 I 8.26 4.98 1.93 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 1.23 0.81 0.93 0.00 0.00 73 C 9.40 4.69 0.00 3.00 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 74 V 8.19 5.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 75 T 8.67 4.49 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 76 H 8.73 5.25 0.00 3.11 3.21 0.00 5.69 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.65 4.72 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 1.24 0.00 0.00 78 A 7.94 4.62 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.30 4.87 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 80 T 8.29 4.65 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 1.21 0.00 0.00 81 P 0.00 5.00 0.00 2.12 2.19 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 82 P 0.00 4.43 0.00 2.03 2.13 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 83 G 8.89 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 0.00 0.00 0.00 84 L 7.32 4.23 0.00 1.68 1.70 0.95 0.61 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 85 T 8.23 4.54 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 86 V 8.81 4.41 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 1.11 0.00 0.00 0.63 0.00 0.00 87 T 8.62 4.82 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 1.12 0.00 0.00 88 V 8.58 4.76 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 0.92 0.00 0.00 0.95 0.00 0.00 89 T 8.95 5.02 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 A 9.09 5.19 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.62 5.13 0.00 2.06 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 2.22 2.27 0.00 92 L 8.84 3.78 0.00 1.16 1.27 -0.56 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.57 4.38 0.00 1.71 1.88 0.00 3.40 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 94 S 7.15 4.53 0.00 3.75 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 95 V 8.35 4.70 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 0.69 0.00 0.00 0.71 0.00 0.00 96 E 8.76 4.62 0.00 1.98 1.75 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 2.14 2.08 0.00 97 G 8.71 3.79 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 0.00 0.00 0.00 98 R 8.70 4.06 0.00 1.75 1.95 0.00 3.19 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 99 R 7.82 5.08 0.00 1.44 1.79 0.00 3.18 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 100 L 8.84 4.98 0.00 1.61 1.02 0.93 0.56 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 0.00 101 S 8.55 4.98 0.00 3.79 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 W 9.62 5.16 0.00 3.41 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.30 4.88 0.00 1.89 1.87 0.00 3.07 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 104 V 8.91 5.18 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 0.75 0.00 0.00 1.03 0.00 0.00 105 S 9.12 5.23 0.00 3.86 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 0.00 106 A 9.43 5.85 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 0.00 107 H 8.62 5.58 0.00 3.24 3.63 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.54 5.43 0.00 2.71 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 0.00 109 G 9.05 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 0.00 110 V 8.01 4.20 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 0.88 0.00 0.00 0.98 0.00 0.00 111 D 8.66 5.04 0.00 2.69 2.52 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 0.00 112 E 8.83 4.30 0.00 1.98 1.94 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 2.34 2.27 0.00 113 I 8.70 4.48 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.04 1.08 0.00 0.00 114 G 7.45 4.44 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 0.00 115 S 8.56 5.07 0.00 3.91 3.67 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 0.00 116 G 7.89 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 0.00 0.00 0.00 117 T 8.52 5.25 4.30 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 1.25 0.00 0.00 118 H 9.37 5.50 0.00 3.26 3.26 0.00 5.54 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.97 5.31 0.00 1.92 1.76 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 2.23 2.28 0.00 120 R 9.04 5.19 0.00 1.85 1.95 0.00 3.13 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 121 A 8.80 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.77 4.20 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 0.86 0.00 0.00 1.00 0.00 0.00 123 I 8.95 4.70 1.83 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.82 0.00 0.00 *124 H 8.60 4.86 0.00 2.62 3.01 0.00 7.19 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.78 4.06 0.00 1.85 1.80 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.15 3.98 0.00 2.08 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 2.45 0.00 127 K 7.94 4.29 0.00 1.89 1.82 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.56 7.81 128 F 8.47 3.99 0.00 3.26 3.25 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 0.00 129 N 8.76 4.41 0.00 2.93 2.86 0.00 0.00 6.96 7.16 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 0.00 130 A 7.84 3.94 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 0.00 131 K 7.17 3.87 0.00 1.61 1.73 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.39 7.81 132 V 7.37 3.56 1.75 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 0.17 0.00 0.00 0.86 0.00 0.00 133 R 7.74 4.24 0.00 2.01 2.16 0.00 3.11 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 1.60 1.46 0.00 134 Q 7.85 4.38 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.31 0.00 135 K 7.55 4.50 0.00 1.83 1.84 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.32 7.81 136 T 7.52 4.30 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 1.20 0.00 0.00 137 P 0.00 4.41 0.00 2.17 2.03 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 * Residues marked with a * may have inaccurate shift predictions.