NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4958 8.1776 115.4162 57.9360 64.5977 174.5020 5 D 4.2420 8.4403 121.4704 55.9751 39.2438 177.2547 6 L 4.0238 8.0529 120.3571 57.6581 42.0799 180.6351 7 V 3.6740 7.5989 118.3166 66.2929 31.2736 178.1098 8 T 3.8701 7.7951 114.3898 66.4799 68.5476 176.0773 9 K 4.0627 8.6819 121.7260 59.5416 32.2548 178.5698 10 F 4.2251 8.3704 120.8437 61.4419 39.1560 176.6900 11 E 3.9462 8.3120 116.3446 58.1787 29.3725 178.7965 12 S 4.1814 7.5653 113.5557 59.5955 63.9145 174.4404 13 L 4.3222 7.1817 123.4333 53.3686 42.6752 177.9419 14 I 3.6929 8.1248 115.7024 63.4434 37.8024 178.0750 15 I 3.6573 7.4925 114.5068 62.8963 37.7218 178.0024 16 S 3.6512 7.4120 115.6685 59.7986 62.8189 174.9422 17 K 4.4394 7.4255 121.6575 57.3674 32.5821 177.6223 *18 Y 3.9690 7.8707 122.7872 57.3225 34.9606 176.7569 19 P 4.0565 0.0000 0.0000 61.7795 28.3824 175.9391 20 V 4.4256 8.0855 118.9476 59.5499 33.8383 176.9814 21 S 4.6647 8.3298 118.2287 55.9715 63.5701 175.3031 22 F 4.9330 8.6672 126.0003 56.8264 39.3688 176.5055 23 T 4.2350 8.8038 116.3099 61.1328 70.7295 175.5261 24 K 3.9960 8.7053 124.1959 60.3426 32.0484 179.2440 25 E 3.9605 8.0597 118.0584 61.1650 29.7405 180.9108 26 Q 3.9322 8.1791 119.5719 58.8460 28.6043 179.3328 27 S 4.2964 8.2253 115.7584 61.6711 62.8388 176.7372 28 A 3.9521 7.9631 123.3574 55.0931 18.1336 179.3559 29 Q 3.8460 8.2613 118.0424 59.3334 29.1411 178.5253 30 A 4.1276 8.3874 121.8847 55.2358 18.4627 179.5158 31 A 4.0021 8.3676 119.5886 55.0453 18.4162 179.4751 32 Q 3.6873 8.3148 118.5169 59.3415 29.0372 178.8679 33 W 4.2030 7.9344 119.7360 59.6619 29.0816 178.0083 34 E 3.9993 8.4611 119.3768 59.4442 28.9972 179.0091 35 S 4.0688 8.0141 113.1167 61.2224 62.4112 176.1715 36 V 3.5205 7.7033 120.9498 65.9936 31.3037 178.0037 37 L 4.0558 8.3896 118.9909 57.9136 41.2984 179.7082 38 K 4.0452 7.9804 117.0941 59.5598 32.0781 179.2917 39 S 4.3454 8.2168 114.0047 58.8929 62.8934 174.4617 40 G 3.9458 7.8525 109.3072 47.2014 0.0000 173.9687 41 Q 4.7153 8.0966 116.0744 55.0515 29.7846 177.4370 42 I 3.9481 8.0394 121.0296 64.3231 38.6429 177.6203 43 Q 3.9724 8.3121 120.4808 58.9076 28.7743 176.3504 44 P 4.3766 0.0000 0.0000 65.1206 31.5145 177.1294 45 H 4.8390 8.0562 113.4317 55.5381 28.9386 176.4810 46 L 4.0651 8.0010 123.6293 57.9740 41.4540 178.9779 47 D 4.4703 8.2767 118.2903 57.5689 40.8287 178.4048 48 Q 4.0499 8.2393 119.4098 59.2523 29.0422 178.1082 49 L 3.9288 8.3375 121.4044 58.1947 42.2551 178.4323 50 N 4.3401 8.5499 117.3217 56.5573 38.6296 176.6545 51 L 3.9768 7.8645 121.1239 57.8540 42.5726 178.6281 52 V 3.7313 7.9226 118.2911 66.2347 31.3261 177.9775 53 L 4.2507 7.6308 117.3749 56.0176 41.4527 178.8781 54 R 3.6567 7.4414 118.5097 58.7110 30.1048 176.6152 55 D 4.8038 7.6306 113.8815 53.8334 41.8609 175.7516 56 N 4.9414 7.5681 117.1416 51.2925 41.9128 174.9890 57 T 3.5198 8.6869 120.1642 66.0112 68.8148 174.1272 58 F 5.1845 7.3260 117.5369 55.0978 42.6839 176.0460 59 I 3.3989 9.1823 123.9192 64.4241 36.8139 177.8748 60 V 4.0662 7.7543 116.6487 62.2512 31.8172 175.5850 61 S 3.6809 7.7159 111.1822 59.5689 60.4196 171.5854 62 T 4.7166 7.5234 108.0727 59.7693 71.4805 174.9178 63 L 4.0826 8.2839 120.9424 56.4630 42.0205 176.7710 64 Y 4.7763 7.3650 114.6272 54.8699 41.9282 173.1398 65 P 3.8379 0.0000 0.0000 62.9040 32.1068 175.8097 66 T 4.8905 8.5796 110.3403 59.3472 72.9763 175.0620 67 S 3.9966 8.7244 115.3308 61.6963 62.7012 176.4966 68 T 3.9346 7.7288 112.0916 64.9176 68.4357 176.0986 69 D 4.6974 8.1239 121.2915 57.1100 40.8832 178.9310 70 V 3.5060 7.4315 118.3856 66.3196 31.0769 177.8947 71 H 4.1765 8.5608 116.3116 58.9323 28.5912 178.0596 72 V 3.5130 8.1233 120.1220 65.8935 31.2537 177.8126 73 F 4.3360 8.6989 120.5535 61.4245 38.9599 176.8631 74 E 3.7210 8.1336 117.2425 59.0250 29.2229 178.8343 75 V 3.9105 7.3459 117.0412 64.9551 31.9629 177.9060 76 A 4.0903 8.5503 120.9908 54.6281 18.1028 179.2800 77 L 3.7191 7.8695 119.6692 57.7741 42.1553 177.3767 78 P 4.1701 0.0000 0.0000 65.8800 31.0445 178.1792 79 L 3.9372 7.4964 117.2392 57.6073 41.5390 179.6264 80 I 3.5774 8.0077 120.0016 64.2058 36.9613 178.3369 81 K 3.8805 8.2544 119.7183 59.8888 31.8495 179.0084 82 D 4.3252 8.1706 118.6539 57.3152 40.5374 178.7449 83 L 3.9837 7.7637 118.3062 57.7984 42.0426 179.5730 84 V 3.7067 8.2835 118.2475 66.0552 31.3387 177.9917 85 A 4.0661 8.1324 119.7053 54.7549 18.3052 178.9364 86 S 4.4085 8.2020 110.8148 58.2941 63.8657 174.4975 87 S 4.2340 7.2445 118.3009 58.2754 62.4758 173.7927 88 K 4.3206 8.5517 125.8888 56.9935 32.7633 176.8635 89 D 4.6475 7.8926 119.1502 50.7327 41.5752 175.4474 90 V 3.3336 7.9899 124.6256 64.1345 31.3159 178.0697 91 K 3.9044 7.8720 119.8174 59.4115 31.8223 178.7518 92 S 4.1381 7.6409 112.3087 61.4222 63.1883 176.3891 93 T 4.0247 7.5579 119.0420 66.8513 68.3935 176.2197 94 Y 4.5261 8.1282 118.9547 61.5865 37.6536 178.8852 95 T 4.0528 8.0029 115.8412 66.7698 68.5586 176.5290 96 T 3.9560 7.4287 116.6057 65.0394 68.8920 174.6214 97 Y 4.9668 7.4393 117.7733 57.0354 39.4253 178.2066 98 R 3.9402 8.3218 120.6255 59.9892 30.2632 178.0231 99 H 4.4050 7.8248 115.1721 58.6576 28.9193 177.4967 100 I 3.8560 7.9430 121.2219 64.7235 36.9685 178.2457 101 L 4.1926 8.3249 119.6529 57.6007 41.3311 179.4211 102 R 3.9386 8.0049 118.3543 59.3878 30.0234 178.4680 103 W 4.2218 8.3878 128.0513 60.4903 30.6305 177.9700 104 I 3.6402 8.6546 120.3391 64.3383 36.0776 177.7262 105 D 4.3171 8.3221 118.8848 57.5186 40.9897 177.7739 106 Y 3.8232 7.7931 119.4401 61.1021 38.8601 177.8966 107 M 3.7569 8.1117 120.2339 58.0821 31.7703 178.7946 108 Q 3.9405 8.0713 117.9870 58.7866 28.7373 178.3436 109 N 4.1986 7.5759 117.6586 55.9054 38.4666 176.8352 110 L 3.7144 7.6082 121.2630 57.9638 42.1007 177.6712 111 L 4.4208 7.8265 115.1695 53.6457 41.8171 176.3349 112 E 3.7357 7.6126 116.7921 57.0837 27.4802 175.6713 113 V 3.7293 7.7553 117.0195 62.6616 32.7351 175.6599 114 S 4.2202 8.6485 122.1082 58.8539 63.3751 175.3307 115 S 4.0823 8.7952 118.1171 61.8440 62.2102 175.7059 116 T 4.0169 7.8617 113.2855 64.6125 67.2617 174.4665 117 D 4.6297 7.7959 118.7284 54.8140 41.5840 176.9009 118 K 4.3376 7.6181 118.8730 55.8116 32.6498 176.4328 119 L 4.1719 9.0506 126.9575 55.8372 42.5189 177.1681 120 E 4.4412 8.8742 123.1283 56.0780 30.1082 175.5496 121 I 3.1222 7.8609 114.9892 62.3275 31.9990 177.8177 122 N 4.5519 7.7765 122.4616 52.2683 37.3699 175.8561 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 S 8.18 4.50 0.00 4.12 4.07 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 5 D 8.44 4.24 0.00 2.99 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 6 L 8.05 4.02 0.00 1.75 1.84 0.99 0.99 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 7 V 7.60 3.67 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 1.19 0.00 0.00 0.84 0.00 0.00 8 T 7.80 3.87 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 1.22 0.00 0.00 9 K 8.68 4.06 0.00 1.90 2.12 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.64 1.53 7.81 10 F 8.37 4.23 0.00 3.09 3.19 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 11 E 8.31 3.95 0.00 1.98 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 2.41 2.65 0.00 12 S 7.57 4.18 0.00 3.97 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 13 L 7.18 4.32 0.00 1.56 1.48 0.92 0.66 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 14 I 8.12 3.69 1.76 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 1.38 0.50 0.83 0.00 0.00 15 I 7.49 3.66 1.76 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 1.38 1.04 0.80 0.00 0.00 16 S 7.41 3.65 0.00 3.07 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 17 K 7.43 4.44 0.00 1.78 1.78 0.00 1.41 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.50 7.81 *18 Y 7.87 3.97 0.00 2.32 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 0.00 0.00 0.00 19 P 0.00 4.06 0.00 2.12 1.99 0.00 3.69 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 1.92 1.66 0.00 20 V 8.09 4.43 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 1.12 0.00 0.00 1.05 0.00 0.00 21 S 8.33 4.66 0.00 3.59 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 22 F 8.67 4.93 0.00 2.97 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 23 T 8.80 4.24 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 1.25 0.00 0.00 24 K 8.71 4.00 0.00 1.86 1.87 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.52 7.81 25 E 8.06 3.96 0.00 2.01 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 2.31 1.97 0.00 26 Q 8.18 3.93 0.00 2.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 27 S 8.23 4.30 0.00 4.12 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 28 A 7.96 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 3.85 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.71 0.00 30 A 8.39 4.13 1.53 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 0.00 0.00 31 A 8.37 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.31 3.69 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.85 2.09 0.00 33 W 7.93 4.20 0.00 3.51 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 34 E 8.46 4.00 0.00 2.19 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 0.00 2.34 2.35 0.00 35 S 8.01 4.07 0.00 4.02 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 0.00 36 V 7.70 3.52 2.28 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 1.13 0.00 0.00 0.43 0.00 0.00 37 L 8.39 4.06 0.00 1.93 1.78 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.98 4.05 0.00 1.97 1.89 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.61 7.81 39 S 8.22 4.35 0.00 4.00 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 40 G 7.85 3.95 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 0.00 0.00 0.00 41 Q 8.10 4.72 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 42 I 8.04 3.95 1.96 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.95 0.00 0.00 43 Q 8.31 3.97 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 44 P 0.00 4.38 0.00 2.02 2.10 0.00 3.78 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 2.07 2.21 0.00 45 H 8.06 4.84 0.00 3.51 3.55 0.00 5.62 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 46 L 8.00 4.07 0.00 1.81 1.79 0.74 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.28 4.47 0.00 2.75 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 48 Q 8.24 4.05 0.00 2.18 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.66 2.50 0.00 49 L 8.34 3.93 0.00 1.69 1.80 -0.14 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.55 4.34 0.00 3.08 3.06 0.00 0.00 6.89 7.50 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 51 L 7.86 3.98 0.00 1.70 1.85 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.92 3.73 2.22 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 0.92 0.00 0.00 1.19 0.00 0.00 53 L 7.63 4.25 0.00 1.60 1.60 -0.05 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 R 7.44 3.66 0.00 1.73 1.96 0.00 3.17 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.28 0.00 55 D 7.63 4.80 0.00 2.64 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 56 N 7.57 4.94 0.00 2.71 2.73 0.00 0.00 7.10 7.05 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 57 T 8.69 3.52 3.80 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 0.03 0.00 0.00 58 F 7.33 5.18 0.00 3.13 3.28 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 59 I 9.18 3.40 1.76 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.37 0.45 0.00 0.00 60 V 7.75 4.07 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 0.23 0.00 0.00 0.93 0.00 0.00 61 S 7.72 3.68 0.00 4.01 3.86 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 0.00 0.00 0.00 0.00 62 T 7.52 4.72 4.43 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 1.40 0.00 0.00 63 L 8.28 4.08 0.00 1.13 0.89 0.89 0.65 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 64 Y 7.36 4.78 0.00 2.93 2.78 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 65 P 0.00 3.84 0.00 1.90 1.53 0.00 3.71 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.89 0.00 66 T 8.58 4.89 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 1.49 0.00 0.00 67 S 8.72 4.00 0.00 4.23 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.93 4.33 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 1.37 0.00 0.00 69 D 8.12 4.70 0.00 2.80 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 70 V 7.43 3.51 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 0.97 0.00 0.00 0.08 0.00 0.00 71 H 8.56 4.18 0.00 3.25 3.41 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.12 3.51 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 0.56 0.00 0.00 0.84 0.00 0.00 73 F 8.70 4.34 0.00 2.83 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 74 E 8.13 3.72 0.00 2.19 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 2.37 2.51 0.00 75 V 7.35 3.91 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 1.04 0.00 0.00 0.95 0.00 0.00 76 A 8.55 4.09 1.46 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 0.00 0.00 77 L 7.87 3.72 0.00 0.84 1.14 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.17 0.00 2.25 2.24 0.00 3.59 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 79 L 7.50 3.94 0.00 1.87 1.68 0.91 0.80 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 80 I 8.01 3.58 1.92 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 1.48 0.20 0.95 0.00 0.00 81 K 8.25 3.88 0.00 1.94 1.88 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.71 7.81 82 D 8.17 4.33 0.00 2.87 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 83 L 7.76 3.98 0.00 1.75 1.77 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.28 3.71 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 1.15 0.00 0.00 1.12 0.00 0.00 85 A 8.13 4.07 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 86 S 8.20 4.41 0.00 4.01 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 87 S 7.24 4.23 0.00 3.99 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 88 K 8.55 4.32 0.00 1.77 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 89 D 7.89 4.65 0.00 2.69 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 90 V 7.99 3.33 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 0.69 0.00 0.00 0.14 0.00 0.00 91 K 7.87 3.90 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.57 7.81 92 S 7.64 4.14 0.00 4.06 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 93 T 7.56 4.02 4.19 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 1.39 0.00 0.00 94 Y 8.13 4.53 0.00 3.12 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 95 T 8.00 4.05 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 1.19 0.00 0.00 96 T 7.43 3.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 97 Y 7.44 4.97 0.00 3.24 2.92 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 98 R 8.32 3.94 0.00 1.64 1.80 0.00 3.08 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 99 H 7.82 4.40 0.00 3.31 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.94 3.86 2.16 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 1.57 0.61 1.11 0.00 0.00 101 L 8.32 4.19 0.00 1.93 1.74 1.06 0.77 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 0.00 102 R 8.00 3.94 0.00 1.98 2.21 0.00 3.09 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 103 W 8.39 4.22 0.00 3.40 3.47 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 0.00 104 I 8.65 3.64 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.06 1.05 0.00 0.00 105 D 8.32 4.32 0.00 2.97 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 0.00 106 Y 7.79 3.82 0.00 3.12 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 0.00 107 M 8.11 3.76 0.00 0.51 0.65 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.91 0.00 108 Q 8.07 3.94 0.00 2.39 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 109 N 7.58 4.20 0.00 2.87 2.73 0.00 0.00 6.47 6.62 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 0.00 110 L 7.61 3.71 0.00 1.28 1.68 0.93 1.05 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 0.00 111 L 7.83 4.42 0.00 1.65 1.67 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.61 3.74 0.00 2.02 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 2.22 2.34 0.00 113 V 7.76 3.73 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 0.80 0.00 0.00 1.12 0.00 0.00 114 S 8.65 4.22 0.00 3.92 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 0.00 115 S 8.80 4.08 0.00 3.82 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 0.00 116 T 7.86 4.02 4.24 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 1.21 0.00 0.00 117 D 7.80 4.63 0.00 2.71 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 0.00 118 K 7.62 4.34 0.00 1.92 1.76 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.74 7.81 119 L 9.05 4.17 0.00 1.58 1.60 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.87 4.44 0.00 2.02 1.79 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 2.16 1.85 0.00 121 I 7.86 3.12 1.87 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 1.27 1.01 0.91 0.00 0.00 122 N 7.78 4.55 0.00 2.73 2.62 0.00 0.00 6.84 7.56 0.00 0.00 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.