NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3238 8.4449 121.4755 55.5432 31.4512 176.3325 5 P 4.2900 0.0000 0.0000 62.4589 31.7358 175.0883 6 R 4.5821 9.6961 122.2940 57.7244 31.8850 175.8657 7 N 4.4815 7.8094 114.2651 50.2066 41.5462 174.6599 8 L 3.8916 7.6298 120.6282 58.1394 41.9708 178.5007 9 S 4.0778 7.9773 112.6588 61.6422 62.3950 175.9963 10 E 4.0900 9.0759 121.5709 58.8405 29.0600 179.1567 11 W 4.1834 8.4027 128.7586 60.6356 30.7836 178.1456 12 I 3.5128 8.4492 120.2160 64.0888 36.5219 178.3496 13 K 3.8800 8.0480 120.5628 59.4894 32.0107 178.5475 14 E 3.9253 8.2994 119.6776 59.0329 29.5174 178.5196 15 L 2.7117 7.7394 120.7069 57.4730 41.7561 178.7940 16 K 3.7465 7.7354 118.6497 59.3809 32.4848 178.5404 17 K 4.0558 7.8856 118.3239 59.5466 32.0286 179.2772 18 A 4.0903 8.1020 121.1601 54.8013 18.0499 179.2485 19 S 4.5509 7.6162 112.4821 59.8149 63.1439 175.8678 20 R 4.3562 7.6968 120.4784 57.3319 30.2705 176.4748 21 E 4.8079 8.2002 115.9708 56.1661 31.7516 175.5698 22 A 4.9896 7.5015 119.2718 50.3059 23.0910 175.1933 23 V 3.5910 7.9302 119.6474 62.0039 33.3477 174.8938 24 I 4.6218 8.0429 127.7343 59.8205 39.3007 174.4613 25 L 5.0379 8.6198 126.6789 53.0565 44.2489 176.0948 26 V 4.3382 8.4001 115.8255 59.4716 36.1225 176.4827 27 E 4.2088 9.1366 121.8709 58.9295 30.5729 176.5210 28 G 4.5030 8.4690 107.1088 42.8836 0.0000 173.8600 29 K 3.9720 8.4996 119.6827 59.4896 32.0819 178.6441 30 N 4.4078 8.1257 116.3062 56.0070 38.5681 177.0189 31 D 4.4023 7.9346 120.2910 57.1139 41.0404 178.4032 32 K 3.9596 8.0633 120.1992 59.4156 32.0641 179.0835 33 K 3.9947 8.2901 118.7553 59.3033 31.7266 179.1493 34 A 4.0715 7.9612 120.1741 55.3032 18.6389 179.4361 35 L 4.2963 8.0449 117.3990 57.9206 41.6296 179.5686 36 S 4.3505 8.0664 114.5496 60.7423 62.0352 176.3785 37 K 3.9046 7.7356 120.4551 58.4073 30.9354 177.6157 38 F 4.6178 7.9536 116.9744 56.9829 38.9626 176.3538 39 S 3.5989 8.0496 114.7419 59.6304 60.7402 171.7069 40 I 4.2331 7.1735 119.4738 60.0879 36.7287 176.2163 41 K 4.3658 8.3051 124.8793 57.0451 34.1803 177.3742 42 N 4.6132 7.6627 119.2838 52.5880 36.6560 173.5279 43 V 4.8698 7.3655 119.3482 60.7163 35.6259 174.5700 44 I 4.6271 8.7224 127.8444 59.4046 40.1809 173.9786 45 D 5.1373 8.5963 126.5731 51.9388 40.5078 176.5277 46 L 4.1432 9.2188 125.6781 57.6986 42.5461 177.1945 47 S 4.3007 8.1403 113.4457 60.0663 62.4826 174.2576 48 G 4.0116 9.3352 115.2788 45.1479 0.0000 172.8800 49 K 4.6732 7.7001 117.6421 54.1972 35.8556 176.3799 50 R 4.0528 9.0308 120.8754 55.7745 31.0325 177.6408 51 Y 4.3710 7.9582 118.0766 61.4359 37.7986 179.0069 52 A 4.1738 8.0927 120.9158 54.9450 18.2530 179.2024 53 D 4.3149 7.9051 117.2587 57.4245 40.8940 178.7157 54 V 3.7215 7.4714 117.8503 65.8088 31.8446 177.9151 55 V 3.7916 7.7820 117.4794 66.0334 31.2607 179.3138 56 D 4.7234 7.9883 116.5727 54.4907 40.9203 177.5717 *58 L 4.5506 8.0017 121.3947 54.4609 43.7656 176.8815 59 E 4.1133 8.3647 119.1167 57.9759 29.5871 177.2258 60 G 3.9886 9.0552 113.0496 45.9105 0.0000 173.4324 61 K 4.2533 8.6208 118.3055 56.6678 34.2667 176.7582 62 W 5.0150 8.0881 115.8031 54.9980 32.6507 174.7132 63 E 4.7144 9.0371 120.1536 56.5408 31.4146 175.4680 64 K 5.2763 8.3545 120.3522 54.4554 35.9139 174.8568 65 V 4.7566 8.9243 125.8157 61.2006 35.0245 174.0320 66 I 4.7688 8.9391 129.4674 59.9957 38.6119 174.7402 67 L 4.3843 8.4626 128.4745 53.3070 42.1647 177.7226 68 L 4.8824 7.5601 124.6920 53.4992 40.8098 176.4632 69 F 4.6597 7.7721 117.1965 56.1194 41.2442 176.2852 70 D 4.6992 8.6798 122.2330 55.1503 41.1493 176.8819 71 L 4.4672 8.8258 120.9163 55.0492 41.6164 177.3505 72 D 4.7847 7.6084 120.7929 52.1278 42.7100 176.8681 73 T 3.8279 8.3168 115.1611 67.2058 68.1765 176.0261 74 H 4.1699 8.3325 119.5550 59.3681 29.8742 177.4083 75 G 4.0233 8.5964 108.8762 47.2060 0.0000 175.3732 76 E 3.9889 8.4951 121.8580 59.0441 29.6393 179.1902 77 R 3.8420 7.9040 118.2102 59.2851 29.9138 179.1266 78 I 3.3471 7.0146 118.3531 63.9378 37.0223 177.5914 79 N 4.4196 7.8867 117.3193 56.9284 39.1286 176.5870 80 Q 4.1511 8.0529 119.2669 58.6849 28.7397 178.8697 81 K 3.7355 7.6511 116.2085 57.4002 31.8138 177.9094 *83 K 4.1989 7.8907 120.0079 56.2643 34.0964 177.4088 84 E 3.9328 8.2417 118.9254 59.0930 29.4557 178.4470 85 L 3.9532 7.9675 120.2762 58.2720 42.2535 178.8965 86 L 4.2120 7.9310 118.6242 57.9483 41.7129 179.5826 87 S 4.4560 8.3341 114.4719 61.4993 62.6953 176.6863 88 S 4.2508 8.1646 116.8936 60.6069 62.8029 175.4428 89 Q 4.4774 7.7711 119.1486 55.4940 28.8495 176.3076 90 G 3.8368 7.9239 108.6081 44.9355 0.0000 173.7490 91 F 4.7705 7.8226 117.7577 56.5986 40.4941 175.2400 92 L 4.5243 9.1587 122.4198 53.9836 43.0839 175.7604 93 V 4.6728 8.4872 124.0650 61.3285 33.3458 174.0818 94 D 4.9071 9.3807 128.5653 53.1208 42.6560 176.1841 95 E 4.6909 8.7915 124.3372 56.1575 30.5502 177.3422 96 N 4.3217 8.6502 118.7123 56.4920 38.3584 177.1681 97 F 4.2800 8.0643 117.5390 60.5481 39.3056 177.2990 98 R 4.2618 8.2437 117.9253 59.6977 30.0488 178.1775 99 N 4.3465 8.7417 116.7014 56.1635 38.4874 177.1814 100 F 3.7048 8.3421 122.3108 61.0359 39.4758 177.1341 101 L 3.7333 7.7554 118.4170 56.9857 41.0966 179.2948 102 K 3.9699 7.3709 117.5856 58.3139 31.9742 178.2923 103 K 4.0811 7.0754 116.9824 56.3923 33.1290 176.2077 104 W 4.9723 7.0454 119.3829 54.8720 31.7447 176.1719 105 N 4.6919 8.4397 119.0947 52.1685 36.6965 173.1421 106 I 4.8685 7.2926 119.1820 59.4737 41.7946 173.6557 107 I 4.2979 8.7478 124.8724 62.6877 39.7812 175.1003 108 H 5.3250 8.5420 117.8386 53.9908 30.3018 176.0952 109 I 3.8881 8.8797 125.6772 64.5221 36.9922 178.1159 110 E 4.0932 8.3326 119.3573 58.9319 29.3651 178.3067 111 E 4.1564 8.6741 119.0643 58.7444 29.2242 178.7511 112 I 3.9780 7.7489 112.7387 63.0038 37.6547 175.6531 113 N 4.6635 8.0478 122.7595 53.1042 37.4434 174.7368 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 E 8.44 4.32 0.00 1.86 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 2.13 2.36 0.00 5 P 0.00 4.29 0.00 2.26 2.16 0.00 2.32 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 6 R 9.70 4.58 0.00 1.98 2.09 0.00 3.21 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 7 N 7.81 4.48 0.00 2.70 2.75 0.00 0.00 5.92 6.67 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 8 L 7.63 3.89 0.00 1.32 1.49 0.74 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.98 4.08 0.00 3.93 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 10 E 9.08 4.09 0.00 2.15 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 0.00 2.37 2.63 0.00 11 W 8.40 4.18 0.00 3.96 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 12 I 8.45 3.51 1.93 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 0.67 0.00 0.00 13 K 8.05 3.88 0.00 1.86 1.99 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 14 E 8.30 3.93 0.00 2.31 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 0.00 2.22 2.40 0.00 15 L 7.74 2.71 0.00 0.51 1.11 -0.31 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.74 3.75 0.00 1.78 1.90 0.00 1.87 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 17 K 7.89 4.06 0.00 2.00 1.83 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.73 7.81 18 A 8.10 4.09 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 19 S 7.62 4.55 0.00 3.84 3.88 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 20 R 7.70 4.36 0.00 1.99 2.09 0.00 3.25 0.00 0.00 3.38 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 21 E 8.20 4.81 0.00 2.01 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 0.00 2.29 2.40 0.00 22 A 7.50 4.99 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 23 V 7.93 3.59 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 0.57 0.00 0.00 -0.47 0.00 0.00 24 I 8.04 4.62 1.76 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.26 0.72 0.00 0.00 25 L 8.62 5.04 0.00 1.24 1.42 0.92 0.50 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 26 V 8.40 4.34 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 0.61 0.00 0.00 0.93 0.00 0.00 27 E 9.14 4.21 0.00 2.35 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 2.55 2.46 0.00 28 G 8.47 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 3.97 0.00 1.85 1.83 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 30 N 8.13 4.41 0.00 2.79 2.94 0.00 0.00 7.18 8.08 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 31 D 7.93 4.40 0.00 2.86 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 32 K 8.06 3.96 0.00 1.84 2.00 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.45 7.81 33 K 8.29 3.99 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.65 7.81 34 A 7.96 4.07 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.04 4.30 0.00 1.91 1.75 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.07 4.35 0.00 4.00 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 37 K 7.74 3.90 0.00 1.53 1.45 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.64 7.81 38 F 7.95 4.62 0.00 3.26 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 39 S 8.05 3.60 0.00 4.06 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 40 I 7.17 4.23 2.03 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.78 0.00 0.00 41 K 8.31 4.37 0.00 1.70 1.82 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.33 7.81 42 N 7.66 4.61 0.00 2.69 2.52 0.00 0.00 6.61 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 43 V 7.37 4.87 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 0.85 0.00 0.00 0.82 0.00 0.00 44 I 8.72 4.63 1.78 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 1.21 0.42 0.90 0.00 0.00 45 D 8.60 5.14 0.00 2.70 2.67 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 46 L 9.22 4.14 0.00 2.07 1.90 1.13 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.14 4.30 0.00 4.16 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 48 G 9.34 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 49 K 7.70 4.67 0.00 1.87 1.69 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.38 7.81 50 R 9.03 4.05 0.00 1.85 1.74 0.00 3.27 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 51 Y 7.96 4.37 0.00 3.01 2.91 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 52 A 8.09 4.17 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 53 D 7.91 4.31 0.00 2.87 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 54 V 7.47 3.72 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 0.71 0.00 0.00 0.99 0.00 0.00 55 V 7.78 3.79 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 1.27 0.00 0.00 1.03 0.00 0.00 56 D 7.99 4.72 0.00 2.86 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 *58 L 8.00 4.55 0.00 1.67 1.94 0.48 0.73 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 59 E 8.36 4.11 0.00 2.26 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 2.38 2.34 0.00 60 G 9.06 3.99 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 0.00 0.00 0.00 61 K 8.62 4.25 0.00 2.01 1.65 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.58 7.81 62 W 8.09 5.01 0.00 3.31 3.17 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 63 E 9.04 4.71 0.00 2.01 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 0.00 2.33 2.32 0.00 64 K 8.35 5.28 0.00 1.91 1.74 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.55 7.81 65 V 8.92 4.76 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 0.72 0.00 0.00 0.73 0.00 0.00 66 I 8.94 4.77 1.70 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 1.29 0.52 0.84 0.00 0.00 67 L 8.46 4.38 0.00 1.62 1.84 1.09 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.56 4.88 0.00 1.42 1.50 0.99 1.25 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 69 F 7.77 4.66 0.00 3.11 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 70 D 8.68 4.70 0.00 2.95 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 71 L 8.83 4.47 0.00 1.56 1.66 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.61 4.78 0.00 2.88 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 73 T 8.32 3.83 4.26 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 0.00 0.00 1.21 0.00 0.00 74 H 8.33 4.17 0.00 3.20 3.48 0.00 5.67 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 75 G 8.60 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 0.00 0.00 0.00 76 E 8.50 3.99 0.00 2.19 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 2.30 2.38 0.00 77 R 7.90 3.84 0.00 1.94 1.86 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 78 I 7.01 3.35 1.34 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 1.15 0.34 -0.16 0.00 0.00 79 N 7.89 4.42 0.00 2.92 3.03 0.00 0.00 7.29 6.63 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 80 Q 8.05 4.15 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 81 K 7.65 3.74 0.00 1.69 1.56 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.63 0.83 7.81 *83 K 7.89 4.20 0.00 1.99 2.01 0.00 2.04 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 84 E 8.24 3.93 0.00 2.11 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 0.00 2.29 2.35 0.00 85 L 7.97 3.95 0.00 1.76 1.61 0.99 0.66 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 86 L 7.93 4.21 0.00 1.78 1.80 0.87 0.45 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 87 S 8.33 4.46 0.00 4.11 4.21 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 88 S 8.16 4.25 0.00 4.09 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 89 Q 7.77 4.48 0.00 2.39 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.65 0.00 0.00 0.00 0.00 0.00 2.76 2.69 0.00 90 G 7.92 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 91 F 7.82 4.77 0.00 3.17 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 92 L 9.16 4.52 0.00 1.74 1.66 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.49 4.67 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 0.81 0.00 0.00 1.01 0.00 0.00 94 D 9.38 4.91 0.00 2.77 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 95 E 8.79 4.69 0.00 2.06 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 0.00 2.36 2.41 0.00 96 N 8.65 4.32 0.00 2.57 2.64 0.00 0.00 6.96 8.96 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 97 F 8.06 4.28 0.00 3.07 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 98 R 8.24 4.26 0.00 2.22 2.17 0.00 3.30 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 99 N 8.74 4.35 0.00 2.83 2.84 0.00 0.00 6.70 7.70 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 0.00 100 F 8.34 3.70 0.00 3.37 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 0.00 101 L 7.76 3.73 0.00 1.73 1.55 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 102 K 7.37 3.97 0.00 1.71 1.77 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.56 7.81 103 K 7.08 4.08 0.00 1.57 1.44 0.00 0.61 0.00 0.00 1.11 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.34 0.21 7.81 104 W 7.05 4.97 0.00 3.32 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 0.00 105 N 8.44 4.69 0.00 2.68 2.75 0.00 0.00 6.67 7.94 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 0.00 106 I 7.29 4.87 1.87 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 1.40 1.36 0.92 0.00 0.00 107 I 8.75 4.30 1.85 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 1.38 0.98 0.65 0.00 0.00 108 H 8.54 5.33 0.00 3.19 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.88 3.89 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 1.02 0.00 0.00 110 E 8.33 4.09 0.00 2.23 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 2.55 2.44 0.00 111 E 8.67 4.16 0.00 2.13 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 0.00 2.37 2.46 0.00 112 I 7.75 3.98 1.86 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.80 0.96 0.00 0.00 113 N 8.05 4.66 0.00 2.93 2.93 0.00 0.00 6.79 7.40 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 * Residues marked with a * may have inaccurate shift predictions.