NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3287 8.3293 121.7121 56.1893 30.4940 173.7144 5 T 4.6964 8.0810 110.3998 59.2849 72.3171 171.1787 6 K 5.1586 9.5801 124.6844 54.2215 34.9819 176.3266 7 I 5.0460 8.7613 126.1765 59.4224 40.2230 174.2708 8 L 4.6464 8.4906 128.7350 53.4886 43.4713 175.1287 9 I 4.5113 8.5298 128.1060 59.7438 38.8032 174.5245 10 I 3.9742 8.5184 129.2722 60.7104 37.1576 174.8266 11 D 4.4658 9.2860 126.2639 52.7031 42.7825 175.2558 12 G 4.0782 8.4916 110.9597 46.4106 0.0000 173.9410 13 D 4.6050 8.1173 120.2741 52.5193 40.4306 176.5023 14 K 4.2121 8.3892 124.9132 58.2235 31.1045 177.4537 15 D 4.4097 8.1448 118.8722 56.4185 41.1943 177.5874 16 N 4.3485 8.6166 118.0233 56.5790 39.0913 176.5223 17 C 4.0047 8.1016 117.6018 63.2795 28.1955 176.1667 18 Q 4.0296 8.1132 118.6265 58.0453 28.1322 178.5191 19 K 3.9954 7.3660 121.3601 59.2328 32.4700 178.8072 20 L 3.9560 7.9704 119.3185 57.4410 41.2183 179.3489 21 K 4.0519 8.4669 120.2839 59.4284 32.2645 179.2027 22 G 3.5972 7.9749 105.8352 47.9688 0.0000 175.0766 23 F 4.0336 8.6303 123.6560 60.7779 39.4500 177.1111 24 L 3.9373 8.4075 118.6713 57.5303 41.5580 179.4411 25 E 4.7170 8.0796 120.8171 58.7668 29.5326 178.2888 26 E 4.1059 7.6660 113.8974 57.5668 29.5887 177.6093 27 K 4.2014 6.9944 117.5284 55.7670 32.3625 176.4209 28 G 3.8387 8.4011 107.4448 46.1198 0.0000 173.3278 29 I 4.6852 7.5876 120.3389 58.8832 39.7621 175.2723 30 S 4.7947 8.7359 122.2174 58.1277 64.5756 173.2293 31 I 5.1295 8.2560 123.0276 59.8626 40.1668 174.6207 32 D 5.0001 9.0650 126.6022 53.0978 43.6347 175.7259 33 L 4.8414 8.0444 119.2632 53.3270 45.3246 175.8750 34 A 4.5061 8.0861 125.2661 50.8824 20.9147 176.9985 35 Y 4.7097 9.0122 116.3796 57.8696 39.6786 175.1073 36 N 4.8512 7.4843 116.0377 50.9108 40.1868 174.7857 37 C 4.0878 8.8587 114.9399 63.3679 27.9901 175.4879 38 E 3.8872 8.1648 120.2263 59.3948 28.9588 178.9094 39 E 3.9941 8.3965 117.5876 59.7773 29.6027 179.6697 40 A 3.8067 7.6143 120.4903 55.2782 18.3438 179.4662 41 I 3.4432 7.6595 117.3341 65.0205 37.4616 177.9616 42 G 3.4154 8.7690 106.4291 46.0596 0.0000 175.3406 43 K 4.0951 8.1231 121.0173 58.9751 32.4942 179.0517 44 I 3.8988 7.5590 119.2654 64.5849 37.1801 178.0667 45 F 4.6755 7.8509 117.1553 61.5406 38.7837 177.1754 46 S 4.3511 8.2763 114.0536 59.4315 62.9653 174.2627 47 N 4.6039 7.9457 121.3120 52.3580 39.9321 174.9080 48 K 4.4841 7.9390 119.0243 54.8724 34.2163 175.6768 49 Y 4.8399 8.4296 120.5690 56.5666 40.5374 175.2072 50 D 4.7980 8.8843 120.6226 54.8190 42.0714 176.6604 51 L 4.4727 7.2832 117.4707 54.2368 45.6124 172.8568 52 I 4.8565 8.1498 125.9185 59.5003 40.7863 174.3343 53 F 4.8009 9.1421 126.8371 56.1685 40.4085 174.5121 54 L 4.7021 8.4703 126.8062 53.0824 44.3201 175.3921 55 E 4.5616 8.1566 125.3870 55.3759 31.7205 176.7955 56 I 3.5342 8.1170 122.4094 63.1217 37.8462 176.2295 57 I 4.2617 7.3520 121.8055 60.0201 37.0921 175.1591 58 L 4.8065 7.9313 124.4974 52.5972 45.4329 176.6251 59 S 4.3118 8.9192 118.7111 62.1443 64.4906 176.3897 60 D 4.5690 8.6551 117.6789 55.5425 40.1398 178.7552 61 G 4.1533 9.0055 120.0955 46.2693 0.0000 173.4865 62 D 5.0629 8.4359 122.2625 51.1429 43.3495 177.2509 63 G 4.0593 8.9267 110.9104 47.3382 0.0000 176.1708 64 W 4.6045 7.8061 120.4693 60.0834 29.0921 178.4951 65 T 4.1589 8.3734 115.4841 66.1513 67.9614 176.8913 66 L 3.9384 8.3407 122.8868 58.0283 42.0028 178.5562 67 C 4.0392 8.1976 118.6943 62.6018 31.3741 175.7684 68 K 4.0662 7.7426 118.4562 59.8855 31.7679 178.4204 69 K 4.0332 8.5117 120.6625 58.5309 32.0135 178.4714 70 I 3.4706 8.8682 120.2390 64.9082 37.1923 178.2599 71 R 4.2615 8.2340 117.4674 58.3010 29.9067 177.6929 72 N 4.7265 8.7890 115.9122 53.7724 39.2745 175.9125 73 V 4.2659 7.1476 111.4502 60.9401 32.7177 175.6315 74 T 4.1990 7.3251 110.9738 61.9785 69.5647 172.2578 75 T 4.5615 8.4866 117.4150 61.5696 69.4211 174.2326 76 C 4.4229 7.9451 122.6356 59.4334 32.5441 171.3668 77 P 5.1885 0.0000 0.0000 62.7922 32.2329 174.7627 78 I 4.6470 8.5554 124.9942 59.3457 39.7597 174.4881 79 V 4.6711 8.6177 127.2184 61.3725 33.5657 175.3010 80 Y 5.3274 8.7542 127.2849 57.5074 40.3017 174.4753 *82 T 4.0714 8.1884 113.5356 63.3932 68.5233 174.7899 83 Y 4.2542 8.4445 119.7421 58.8681 39.0922 176.3852 84 I 3.8353 8.0131 120.8058 61.9574 37.4682 176.2534 85 N 5.1990 8.7270 126.8734 52.9563 39.0641 174.1256 86 E 4.8049 7.5870 118.4072 54.2993 34.1473 176.5932 87 D 4.1834 8.4233 122.2762 57.8407 41.1979 179.1881 88 Q 3.5158 8.0557 117.8414 58.8009 28.5011 179.1102 89 S 4.0045 7.8671 113.7135 61.5377 62.7100 176.0159 90 I 2.9479 7.3040 122.4153 64.1591 36.7371 178.5096 91 L 3.9489 8.5932 120.4112 57.3846 41.3895 179.3317 92 N 4.0114 7.6694 116.1898 55.9209 38.5135 176.8371 93 A 4.1314 7.9868 123.5225 54.6133 18.4553 179.7761 94 L 4.0269 7.9068 116.9242 58.0336 41.5586 178.8452 95 N 4.6762 7.8199 112.4572 53.9626 38.4506 176.1454 96 S 4.6675 8.2531 114.9424 57.9843 63.3677 173.5699 97 G 3.6453 7.4726 108.2362 45.0723 0.0000 174.2505 98 G 4.1711 8.2359 109.9148 45.6233 0.0000 173.1682 99 D 4.8794 9.1651 118.8469 55.2776 43.5876 175.8874 100 D 5.1387 7.9093 115.7792 53.1994 45.7907 173.3217 101 Y 5.2040 9.8173 122.4708 56.2063 41.5110 173.9113 102 L 4.9172 9.2521 127.6011 53.0368 44.4226 175.9294 103 I 4.5412 8.2374 123.4877 59.9158 38.4993 175.9040 104 K 4.2766 8.5592 126.9208 54.9047 32.9765 175.1647 105 P 4.1841 0.0000 0.0000 61.9958 31.9683 176.2719 106 L 3.7418 8.3754 122.4484 55.6895 41.9890 177.9232 107 N 4.5318 8.5408 122.4633 51.7012 37.3302 175.1075 108 L 3.3820 7.6537 125.2719 57.5022 41.9022 178.4634 109 E 3.9378 8.0059 117.5955 59.7680 29.5060 179.5033 110 I 3.9056 7.9344 119.3434 63.8335 37.2749 178.1719 111 L 4.0137 8.2640 121.8227 58.2447 41.8998 178.3093 112 Y 4.3938 9.1755 120.4445 60.7438 38.6981 177.7255 113 A 3.8807 7.9149 121.2849 55.3543 18.4164 179.6517 114 K 3.8535 7.9717 116.5062 59.7240 32.0366 179.7576 115 V 3.6025 7.8698 118.3885 65.7564 31.3656 178.1468 116 K 3.7223 8.0961 118.3913 59.3501 31.8633 178.7728 117 A 4.0128 8.0552 121.0292 55.5673 18.0252 179.8566 118 I 3.6411 7.6605 116.5937 64.4376 37.2839 178.4064 119 L 4.1057 7.8436 118.6893 57.7035 41.6028 178.9692 120 R 4.0836 8.6537 119.7376 59.5826 29.6685 179.0944 121 R 3.8836 7.6570 113.0635 56.1800 30.1458 176.5960 *123 N 4.6469 8.4689 113.6985 52.3346 39.5929 174.6445 124 S 4.2886 5.8100 121.9910 59.2612 62.5293 174.4309 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 4 Q 8.33 4.33 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.67 0.00 0.00 0.00 0.00 0.00 2.26 2.55 0.00 5 T 8.08 4.70 4.36 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 1.24 0.00 0.00 6 K 9.58 5.16 0.00 1.67 1.78 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.66 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.35 1.19 7.81 7 I 8.76 5.05 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.07 1.17 0.00 0.00 8 L 8.49 4.65 0.00 0.27 0.71 0.58 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.53 4.51 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.82 0.00 0.00 10 I 8.52 3.97 1.82 0.00 0.00 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 0.94 0.99 0.80 0.00 0.00 11 D 9.29 4.47 0.00 2.59 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 12 G 8.49 4.08 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 0.00 0.00 0.00 13 D 8.12 4.60 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.39 4.21 0.00 1.81 1.88 0.00 1.55 0.00 0.00 1.13 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.52 1.31 7.81 15 D 8.14 4.41 0.00 2.71 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 N 8.62 4.35 0.00 3.02 3.05 0.00 0.00 7.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 8.10 4.00 0.00 3.10 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 18 Q 8.11 4.03 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 19 K 7.37 4.00 0.00 2.12 1.87 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.46 7.81 20 L 7.97 3.96 0.00 1.61 1.52 0.52 0.14 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 21 K 8.47 4.05 0.00 1.90 1.83 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.46 7.81 22 G 7.97 3.60 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 0.00 0.00 0.00 23 F 8.63 4.03 0.00 3.19 2.93 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 0.00 0.00 0.00 24 L 8.41 3.94 0.00 1.81 1.80 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.08 4.72 0.00 2.38 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 2.28 2.31 0.00 26 E 7.67 4.11 0.00 2.04 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 2.13 2.38 0.00 27 K 6.99 4.20 0.00 1.58 1.43 0.00 0.82 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.58 0.21 7.81 28 G 8.40 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.59 4.69 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 1.11 0.00 0.00 30 S 8.74 4.79 0.00 3.95 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 0.00 31 I 8.26 5.13 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.93 0.00 0.00 32 D 9.07 5.00 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.04 4.84 0.00 1.11 1.10 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.09 4.51 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 9.01 4.71 0.00 2.95 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.48 4.85 0.00 3.14 2.93 0.00 0.00 6.25 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.86 4.09 0.00 3.12 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.16 3.89 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 2.31 2.65 0.00 39 E 8.40 3.99 0.00 1.95 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 2.43 2.66 0.00 40 A 7.61 3.81 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 41 I 7.66 3.44 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.74 0.38 0.00 0.00 42 G 8.77 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 4.10 0.00 1.70 2.04 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.63 7.81 44 I 7.56 3.90 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.68 1.08 0.00 0.00 45 F 7.85 4.68 0.00 3.09 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 46 S 8.28 4.35 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.95 4.60 0.00 2.03 2.22 0.00 0.00 7.03 7.00 0.00 0.00 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 7.94 4.48 0.00 1.59 1.65 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.36 7.81 49 Y 8.43 4.84 0.00 2.92 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 50 D 8.88 4.80 0.00 2.55 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.28 4.47 0.00 1.66 1.40 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.15 4.86 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.71 0.75 0.00 0.00 53 F 9.14 4.80 0.00 2.96 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 54 L 8.47 4.70 0.00 1.40 0.91 0.73 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.16 4.56 0.00 2.12 1.70 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 2.34 2.32 0.00 56 I 8.12 3.53 1.58 0.00 0.00 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 1.28 0.68 -0.43 0.00 0.00 57 I 7.35 4.26 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.40 0.88 0.00 0.00 58 L 7.93 4.81 0.00 1.51 1.47 0.85 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.92 4.31 0.00 3.85 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 60 D 8.66 4.57 0.00 2.63 2.40 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 61 G 9.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 5.06 0.00 2.82 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.93 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 64 W 7.81 4.60 0.00 3.83 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 65 T 8.37 4.16 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 66 L 8.34 3.94 0.00 1.71 1.77 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 67 C 8.20 4.04 0.00 3.21 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 68 K 7.74 4.07 0.00 1.93 1.92 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 1.82 7.81 69 K 8.51 4.03 0.00 2.05 1.89 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.57 7.81 70 I 8.87 3.47 1.98 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 1.48 0.54 0.90 0.00 0.00 71 R 8.23 4.26 0.00 1.96 2.03 0.00 3.34 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 72 N 8.79 4.73 0.00 2.83 2.90 0.00 0.00 6.85 6.32 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 73 V 7.15 4.27 2.24 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 0.85 0.00 0.00 1.13 0.00 0.00 74 T 7.33 4.20 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 1.33 0.00 0.00 75 T 8.49 4.56 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 1.23 0.00 0.00 76 C 7.95 4.42 0.00 3.04 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 P 0.00 5.19 0.00 2.09 2.15 0.00 3.87 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.81 0.00 78 I 8.56 4.65 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.92 0.62 0.00 0.00 79 V 8.62 4.67 1.52 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 1.18 0.00 0.00 0.78 0.00 0.00 80 Y 8.75 5.33 0.00 2.78 2.55 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 0.00 0.00 0.00 0.00 *82 T 8.19 4.07 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 0.64 0.00 0.00 83 Y 8.44 4.25 0.00 3.04 2.98 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 84 I 8.01 3.84 2.09 0.00 0.00 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 1.31 0.58 1.13 0.00 0.00 85 N 8.73 5.20 0.00 2.75 2.79 0.00 0.00 7.08 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 86 E 7.59 4.80 0.00 2.02 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 0.00 2.37 2.35 0.00 87 D 8.42 4.18 0.00 2.63 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.06 3.52 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 89 S 7.87 4.00 0.00 4.08 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 90 I 7.30 2.95 1.65 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.15 0.59 0.00 0.00 91 L 8.59 3.95 0.00 1.74 1.60 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 92 N 7.67 4.01 0.00 2.36 1.70 0.00 0.00 6.70 7.97 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 93 A 7.99 4.13 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 94 L 7.91 4.03 0.00 1.67 1.72 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 95 N 7.82 4.68 0.00 2.74 2.81 0.00 0.00 6.95 7.61 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 96 S 8.25 4.67 0.00 4.11 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 0.00 97 G 7.47 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 0.00 0.00 0.00 98 G 8.24 4.17 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 99 D 9.17 4.88 0.00 2.71 2.70 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 0.00 100 D 7.91 5.14 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.82 5.20 0.00 2.83 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 0.00 102 L 9.25 4.92 0.00 1.56 1.53 1.06 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.24 4.54 1.90 0.00 0.00 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 1.68 0.53 0.92 0.00 0.00 104 K 8.56 4.28 0.00 0.79 1.03 0.00 1.13 0.00 0.00 1.41 0.00 0.00 2.83 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.13 1.04 7.81 105 P 0.00 4.18 0.00 2.14 2.09 0.00 3.83 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 1.97 2.01 0.00 106 L 8.38 3.74 0.00 1.48 1.53 0.70 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.54 4.53 0.00 2.71 2.67 0.00 0.00 7.17 6.66 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 0.00 108 L 7.65 3.38 0.00 0.94 0.13 0.56 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.01 3.94 0.00 1.99 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 0.00 2.45 2.42 0.00 110 I 7.93 3.91 2.16 0.00 0.00 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 1.43 1.20 0.93 0.00 0.00 111 L 8.26 4.01 0.00 1.63 1.77 0.62 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 9.18 4.39 0.00 3.45 3.20 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 0.00 113 A 7.91 3.88 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 0.00 114 K 7.97 3.85 0.00 2.15 1.93 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.66 7.81 115 V 7.87 3.60 2.24 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 1.23 0.00 0.00 1.29 0.00 0.00 116 K 8.10 3.72 0.00 1.80 1.69 0.00 1.57 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.98 0.78 7.81 117 A 8.06 4.01 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 0.00 118 I 7.66 3.64 1.84 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 1.51 0.82 0.88 0.00 0.00 119 L 7.84 4.11 0.00 1.73 1.73 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.65 4.08 0.00 1.86 2.08 0.00 3.09 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 121 R 7.66 3.88 0.00 1.97 2.07 0.00 3.39 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 *123 N 8.47 4.65 0.00 2.90 2.63 0.00 0.00 7.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 5.81 4.29 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.