NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2600 8.2644 123.5823 51.9364 19.8618 175.8437 3 V 3.8430 8.3476 123.4867 61.7559 32.4298 173.8138 4 R 4.4137 8.4630 126.0266 57.5713 32.2376 176.3160 5 R 4.6546 7.4841 110.8021 54.6996 32.0871 174.0726 6 V 4.3405 8.2598 119.0814 60.9887 33.8090 174.8999 7 V 4.2855 8.2206 125.6826 60.6511 33.8345 174.7070 8 A 4.1652 8.5689 130.3210 51.9592 19.0240 175.9057 9 N 4.8555 8.5464 119.1348 51.3446 40.8343 174.1563 10 I 4.1798 7.9811 123.5795 59.2137 38.9028 175.1324 11 A 4.2224 8.2720 128.6133 51.8907 19.2866 176.4243 12 T 4.5316 7.8274 114.9821 60.2888 70.1410 171.8882 13 P 4.4427 0.0000 0.0000 64.6810 31.8267 176.4310 14 E 4.5771 8.4599 120.3577 52.6807 30.3426 173.0151 15 P 4.2917 0.0000 0.0000 65.2427 31.4649 177.5582 16 A 4.1705 8.9665 119.7090 54.8446 17.9984 179.5376 17 R 4.0336 8.1758 115.5819 58.7619 30.3012 178.4644 18 A 4.5719 8.5504 120.9270 54.6931 18.3061 179.2553 19 Q 3.9996 8.2690 118.5562 59.4472 28.6354 178.3017 20 A 4.1077 8.1989 122.2991 54.7162 18.9623 178.1055 21 F 4.1890 8.1167 115.4924 60.6512 40.3023 177.4593 22 Y 4.1566 8.3123 115.4342 60.4635 37.8384 178.3076 23 G 3.8109 7.9738 106.2176 47.5902 0.0000 175.6214 24 D 4.3136 7.9962 120.7035 56.9213 41.3260 178.4088 25 I 3.7399 7.0595 117.9594 64.1330 37.0815 177.4768 26 L 3.9032 7.5486 117.4488 54.1557 41.9137 173.3814 27 G 3.5834 7.5067 114.3584 44.3282 0.0000 171.4210 *29 P 4.2074 0.0000 0.0000 61.2139 32.6330 176.6378 30 V 3.7568 8.2668 119.8463 63.3630 31.6491 175.7303 31 A 4.2243 8.9468 129.4861 52.3884 19.4033 176.1919 *33 D 4.2110 7.7678 114.8441 54.7935 40.9077 173.9291 34 H 4.6815 8.6402 123.0795 55.2561 28.5860 175.9056 35 G 4.1424 8.1499 113.2349 45.9986 0.0000 175.8930 36 W 4.3763 7.7995 117.8664 57.5121 28.9467 176.2060 37 I 4.4120 6.5830 118.5036 58.8244 40.4526 173.5473 38 V 4.4357 8.0296 125.3149 61.1344 34.3979 174.3488 39 T 4.5610 8.1465 122.4634 62.0900 71.1768 172.6194 40 H 5.2570 8.7886 122.9008 54.4855 30.4595 174.3179 41 A 4.7861 8.9346 123.4708 50.3242 22.3362 175.7402 42 S 4.5180 8.6001 114.1460 56.5564 63.5476 172.9448 43 P 4.3239 0.0000 0.0000 64.5105 31.2200 175.5879 44 L 4.7650 7.6787 116.7512 52.4136 44.9193 175.8605 45 E 5.3383 8.1154 117.4069 56.6889 31.4981 176.2086 46 A 4.7430 8.1705 125.2543 50.2981 22.3930 175.6067 47 H 4.2144 8.7600 117.2229 55.7484 29.3560 175.4917 48 A 4.1998 8.4519 126.5968 52.0580 18.6140 176.9201 49 Q 4.7136 8.3102 120.0882 55.1276 31.7225 174.2952 50 V 4.3841 7.9664 116.8288 60.4991 34.1604 173.8628 51 S 4.6473 7.9297 117.6898 56.5817 65.9337 173.5134 52 F 4.5544 8.4018 119.9588 55.6260 41.8488 174.5500 53 A 4.7150 8.3792 127.5139 50.4927 21.9433 175.9322 54 R 4.2239 8.5992 117.8670 57.5859 30.3306 175.6912 55 E 4.6326 7.6385 114.7390 55.3640 32.1114 174.8994 56 G 4.0144 8.2542 106.9149 45.0765 0.0000 174.9972 57 G 3.9037 7.9401 106.9339 47.1423 0.0000 173.7804 58 S 3.6167 9.7889 115.3570 59.2688 60.4760 173.4146 59 G 3.9188 8.6684 107.0172 45.6364 0.0000 174.5079 60 T 4.0663 7.4601 110.3934 60.7256 69.5305 173.8316 61 D 4.5746 8.2959 121.6912 53.8914 41.4711 176.5811 62 V 3.7824 8.1185 121.7295 61.8793 32.0374 174.3613 63 P 4.2667 0.0000 0.0000 62.4342 31.9995 176.0214 64 D 4.5420 8.6306 121.1047 57.1312 41.3568 176.9939 65 L 4.8199 7.6948 116.1819 53.0211 46.5066 175.5795 66 S 5.1565 8.7019 118.0126 56.8926 65.2488 173.5448 67 I 4.5001 9.0701 126.0091 59.3901 39.8632 174.2744 68 E 4.9462 8.9005 128.9390 55.6850 30.2586 175.8956 69 V 4.7521 8.8252 120.1410 59.6826 34.9977 175.4824 70 D 4.7321 8.8045 120.6291 53.6968 40.3734 176.9403 71 N 4.9198 7.5823 118.8271 51.0822 39.7173 173.8160 72 F 4.0487 8.7059 125.6184 60.9322 39.8188 175.9681 73 D 4.4009 8.2416 118.1220 57.0448 40.5846 178.1090 74 E 3.8412 8.2332 119.4922 59.3667 29.6234 179.1129 75 V 3.3948 7.4457 117.7552 66.0667 31.5243 177.3132 76 H 3.8932 8.0795 118.0974 59.2531 29.6011 177.1439 77 A 3.8789 7.9181 122.4597 55.0320 18.1887 179.8424 78 R 3.7981 8.0962 116.8032 59.3211 30.2492 179.2719 79 I 3.6077 7.7631 119.6356 64.3775 37.0862 178.4645 80 L 3.9661 7.8826 119.6264 57.8828 41.2561 179.8672 81 K 3.9417 8.2274 117.2188 59.0511 32.0344 178.5382 82 A 4.2622 7.9494 119.0030 52.1258 18.4906 177.9506 83 G 3.8230 7.8729 105.2261 45.9325 0.0000 173.7142 84 L 4.3008 7.5934 119.5005 52.9171 42.3288 175.5035 85 P 4.4519 0.0000 0.0000 62.6764 32.0960 175.4888 86 I 4.5204 8.0622 120.9741 59.8053 38.8647 175.8559 87 E 4.2840 9.2741 126.0627 58.9025 29.9444 176.8047 88 Y 4.5572 7.8401 118.2498 57.1603 41.9380 175.4025 89 G 3.4198 7.7946 114.7478 43.4867 0.0000 170.8552 90 P 4.8613 0.0000 0.0000 63.2303 32.1258 176.2609 91 V 4.3527 8.4313 120.0124 60.7887 35.1879 173.1908 92 T 4.5051 8.1533 119.7585 62.6009 69.1864 174.7025 93 E 3.8211 8.7645 126.6410 54.8044 30.3936 177.7462 94 A 3.8760 7.9663 123.7753 54.7225 18.5453 178.6129 95 W 4.6107 7.5418 111.0072 56.6608 28.4119 176.5522 96 G 3.8250 8.1635 106.7928 46.4085 0.0000 173.8262 97 V 4.6048 7.1553 110.5953 59.0353 36.0739 174.2778 98 Q 4.8241 8.5547 124.5247 54.3637 31.0823 174.6115 99 R 5.4959 8.5097 121.6002 55.2205 33.5606 173.5553 100 L 5.4010 9.5076 119.2557 54.4352 44.5209 174.9303 101 F 5.8668 9.4919 119.4743 56.1960 41.8543 174.7533 102 L 5.0659 8.8671 121.5145 54.6324 44.4231 174.7349 103 R 4.8251 8.5139 118.7029 55.6378 31.4295 176.7462 104 D 3.5031 8.4018 122.9360 51.0052 41.1118 175.3414 105 P 4.0020 0.0000 0.0000 64.5833 31.0676 177.3495 106 F 4.6677 8.2695 116.0384 56.8571 39.1721 176.4386 107 G 3.9211 8.2073 108.3485 45.5344 0.0000 174.3080 108 K 4.3258 7.9253 119.0717 55.9527 33.7748 175.7959 109 L 4.5749 9.4530 126.6368 54.3068 43.4391 175.1628 110 I 4.6724 8.9148 128.3265 59.6305 39.7613 174.3996 111 N 5.1002 9.0078 127.1119 52.5222 40.0002 173.5997 112 I 5.0826 8.9222 129.1520 60.0144 38.8535 175.2340 113 L 5.5536 9.0175 126.6552 54.3834 44.4459 175.2643 114 S 4.9507 9.1000 115.8734 57.2298 66.5420 174.4199 *115 H 4.2958 8.9251 120.1113 55.1363 27.6236 175.7938 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 2 A 8.26 4.26 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 3 V 8.35 3.84 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 0.82 0.00 0.00 0.94 0.00 0.00 4 R 8.46 4.41 0.00 1.83 1.95 0.00 3.27 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 5 R 7.48 4.65 0.00 1.86 1.84 0.00 2.96 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 6 V 8.26 4.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 7 V 8.22 4.29 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 0.91 0.00 0.00 8 A 8.57 4.17 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 9 N 8.55 4.86 0.00 2.66 2.68 0.00 0.00 6.90 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.98 4.18 1.46 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 1.24 0.40 0.43 0.00 0.00 11 A 8.27 4.22 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 12 T 7.83 4.53 4.01 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 0.94 0.00 0.00 13 P 0.00 4.44 0.00 2.26 2.20 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 14 E 8.46 4.58 0.00 2.06 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 2.25 2.38 0.00 15 P 0.00 4.29 0.00 2.19 2.08 0.00 3.69 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 2.12 2.16 0.00 16 A 8.97 4.17 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 17 R 8.18 4.03 0.00 2.12 1.88 0.00 3.21 0.00 0.00 3.32 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 18 A 8.55 4.57 1.62 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.27 4.00 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 20 A 8.20 4.11 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 21 F 8.12 4.19 0.00 2.94 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 22 Y 8.31 4.16 0.00 3.02 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 23 G 7.97 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 24 D 8.00 4.31 0.00 2.90 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 25 I 7.06 3.74 1.55 0.00 0.00 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 1.13 0.31 0.50 0.00 0.00 26 L 7.55 3.90 0.00 1.74 1.67 0.81 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.51 3.58 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 0.00 0.00 0.00 *29 P 0.00 4.21 0.00 2.22 2.03 0.00 3.84 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 30 V 8.27 3.76 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 0.66 0.00 0.00 0.76 0.00 0.00 31 A 8.95 4.22 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 *33 D 7.77 4.21 0.00 2.57 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 34 H 8.64 4.68 0.00 2.42 2.95 0.00 5.78 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 35 G 8.15 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 36 W 7.80 4.38 0.00 3.55 3.22 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 37 I 6.58 4.41 1.21 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.50 -0.58 0.00 0.00 38 V 8.03 4.44 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 0.78 0.00 0.00 0.87 0.00 0.00 39 T 8.15 4.56 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 1.14 0.00 0.00 40 H 8.79 5.26 0.00 2.98 3.28 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.93 4.79 1.15 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 42 S 8.60 4.52 0.00 3.87 3.93 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 43 P 0.00 4.32 0.00 2.08 2.12 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 44 L 7.68 4.77 0.00 1.60 1.58 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.12 5.34 0.00 1.96 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 2.07 2.10 0.00 46 A 8.17 4.74 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 47 H 8.76 4.21 0.00 3.10 3.28 0.00 5.90 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 48 A 8.45 4.20 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 49 Q 8.31 4.71 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 50 V 7.97 4.38 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 0.88 0.00 0.00 0.60 0.00 0.00 51 S 7.93 4.65 0.00 3.65 3.64 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 52 F 8.40 4.55 0.00 3.03 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 53 A 8.38 4.72 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.60 4.22 0.00 1.93 2.07 0.00 3.05 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 55 E 7.64 4.63 0.00 2.21 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 2.16 2.26 0.00 56 G 8.25 4.01 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 0.00 57 G 7.94 3.90 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 0.00 0.00 0.00 58 S 9.79 3.62 0.00 4.16 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 59 G 8.67 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.46 4.07 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 0.04 0.00 0.00 61 D 8.30 4.57 0.00 2.78 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 62 V 8.12 3.78 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 0.76 0.00 0.00 0.99 0.00 0.00 63 P 0.00 4.27 0.00 2.07 1.08 0.00 3.76 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 1.81 1.61 0.00 64 D 8.63 4.54 0.00 2.66 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 65 L 7.69 4.82 0.00 1.58 1.52 1.02 0.87 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 66 S 8.70 5.16 0.00 3.73 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 67 I 9.07 4.50 1.96 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 0.98 0.00 0.00 68 E 8.90 4.95 0.00 2.04 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 2.33 2.40 0.00 69 V 8.83 4.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.10 0.00 0.00 70 D 8.80 4.73 0.00 2.80 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 71 N 7.58 4.92 0.00 2.69 2.67 0.00 0.00 6.80 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.71 4.05 0.00 3.22 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 73 D 8.24 4.40 0.00 2.78 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 74 E 8.23 3.84 0.00 2.09 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 2.25 2.27 0.00 75 V 7.45 3.39 1.77 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 0.79 0.00 0.00 0.91 0.00 0.00 76 H 8.08 3.89 0.00 2.63 3.27 0.00 5.66 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 77 A 7.92 3.88 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 78 R 8.10 3.80 0.00 1.89 1.87 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 79 I 7.76 3.61 1.95 0.00 0.00 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 1.37 1.01 0.91 0.00 0.00 80 L 7.88 3.97 0.00 1.73 1.65 0.70 0.86 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 81 K 8.23 3.94 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 82 A 7.95 4.26 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 83 G 7.87 3.82 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 0.00 0.00 0.00 84 L 7.59 4.30 0.00 1.72 1.67 1.06 0.80 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 85 P 0.00 4.45 0.00 2.21 2.07 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 86 I 8.06 4.52 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 1.08 0.00 0.00 87 E 9.27 4.28 0.00 2.25 2.15 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 2.42 2.35 0.00 88 Y 7.84 4.56 0.00 2.82 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 89 G 7.79 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 90 P 0.00 4.86 0.00 2.11 2.33 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.71 0.00 91 V 8.43 4.35 1.77 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 0.33 0.00 0.00 0.76 0.00 0.00 92 T 8.15 4.51 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 1.07 0.00 0.00 93 E 8.76 3.82 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 94 A 7.97 3.88 1.35 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 0.00 0.00 95 W 7.54 4.61 0.00 3.40 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 96 G 8.16 3.82 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 0.00 0.00 0.00 97 V 7.16 4.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.83 0.00 0.00 98 Q 8.55 4.82 0.00 1.73 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.61 0.00 0.00 0.00 0.00 0.00 1.16 1.72 0.00 99 R 8.51 5.50 0.00 2.42 2.07 0.00 3.38 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 100 L 9.51 5.40 0.00 1.99 1.91 1.03 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.49 5.87 0.00 3.06 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 0.00 102 L 8.87 5.07 0.00 1.96 1.85 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.51 4.83 0.00 1.69 1.83 0.00 3.44 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 104 D 8.40 3.50 0.00 1.58 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 0.00 0.00 0.00 105 P 0.00 4.00 0.00 0.66 1.67 0.00 3.21 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 106 F 8.27 4.67 0.00 3.10 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 0.00 107 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.93 4.33 0.00 1.97 1.75 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.63 1.44 7.81 109 L 9.45 4.57 0.00 1.70 1.47 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.91 4.67 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.07 1.09 0.00 0.00 111 N 9.01 5.10 0.00 2.10 2.69 0.00 0.00 6.73 7.76 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 0.00 112 I 8.92 5.08 2.00 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 1.40 0.78 0.93 0.00 0.00 113 L 9.02 5.55 0.00 1.83 2.04 1.02 0.47 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 0.00 114 S 9.10 4.95 0.00 4.11 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 *115 H 8.93 4.30 0.00 2.97 2.84 0.00 7.29 0.00 0.00 0.00 0.00 6.91 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.