NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3810 8.0249 121.4066 61.5429 38.7174 174.4277 3 H 4.8863 8.9849 124.0362 53.0800 31.7417 171.3731 4 L 5.1069 9.2407 124.8416 53.5866 44.3186 175.2225 5 I 4.5916 8.6048 125.9750 59.5150 39.8171 174.6308 6 A 5.0550 8.5210 128.4176 50.2284 21.9656 175.0649 7 L 4.4140 8.7578 121.5206 54.0091 46.2496 173.8643 8 R 4.8435 8.6297 126.7525 55.4035 31.1914 175.3002 9 L 4.8358 9.1547 126.6281 53.6331 44.2484 175.5179 10 T 4.9080 8.1176 110.8885 59.0004 72.2047 173.1622 11 R 3.9987 7.9650 120.7282 57.1522 30.0803 175.8776 12 G 3.4324 8.4045 113.8761 46.1481 0.0000 173.0356 *14 D 4.4384 7.5445 116.6602 53.8490 42.9970 174.0127 15 L 3.8913 8.6001 129.5238 58.4905 42.1093 178.9116 16 K 3.8910 8.0062 118.5981 59.6628 32.2108 178.5866 17 Q 3.9780 8.6110 118.4440 59.1102 28.6202 178.8642 18 Q 4.0035 8.3517 119.2646 58.8673 28.6402 178.8797 19 I 3.7096 7.7290 120.9548 64.2426 37.1778 178.5847 20 V 3.4855 7.8829 119.1723 66.1184 31.2539 178.1269 21 Q 3.9509 8.1857 117.8266 58.7296 28.5217 178.5282 22 L 3.9408 7.9662 121.4311 58.0279 42.0717 179.0927 23 V 3.5119 7.8502 118.2826 66.2147 31.5583 178.0955 24 Q 3.5091 7.8731 117.6401 58.7692 28.2787 178.3297 25 Q 4.0004 8.1051 119.8162 59.1059 29.1243 177.2626 26 H 4.6327 8.0443 113.8615 54.2676 29.6317 175.1493 27 R 3.9647 7.7295 118.4810 57.2808 28.0449 176.8468 28 I 3.9838 7.9937 117.9638 61.4789 37.8425 177.0790 29 H 4.9961 8.9654 122.6795 55.5835 30.8601 174.0340 30 A 4.4780 7.5075 119.8782 51.2157 22.3227 175.7903 31 G 4.2178 9.0584 108.9024 46.3086 0.0000 171.6645 32 S 5.7239 8.4900 113.5184 57.2260 67.1581 173.1567 33 I 4.3722 8.2258 121.0567 60.4761 37.0620 176.1939 34 A 4.0387 8.6063 130.5856 54.5813 18.8799 177.0977 35 S 4.5355 7.4824 106.4143 58.4533 65.4404 174.9677 36 C 4.9635 8.1139 122.8749 58.4333 31.7488 174.6945 37 V 3.7072 7.8869 121.3640 62.2263 32.6613 175.5127 38 G 3.9351 7.8044 112.6730 46.4624 0.0000 170.4723 39 C 5.2538 8.0149 112.9428 56.9479 33.6274 173.1530 40 L 5.3924 9.2141 120.0548 53.3169 44.5847 177.1625 41 S 4.7621 9.3119 115.0363 59.1232 65.5251 173.9779 42 T 5.0035 7.7755 117.1861 61.9332 72.7410 172.2974 43 L 4.8888 9.1443 128.7261 53.6581 44.8255 175.0119 44 H 5.3030 9.5744 126.2531 55.1131 32.6230 171.8555 45 I 4.9445 8.8189 119.3845 59.0432 41.5522 174.1305 46 R 4.7562 8.8737 124.5780 55.3915 31.8227 176.1672 47 L 4.7740 8.8900 126.4121 53.2847 43.4967 177.5373 48 A 3.9362 8.7339 122.4766 55.1195 17.9862 178.1452 49 D 4.5093 8.0932 113.7868 53.4968 39.9385 177.6913 50 S 4.1608 8.4503 115.1451 59.2920 61.1897 171.0467 51 V 4.2439 7.7661 118.2518 64.4914 33.7443 176.3941 52 S 4.5547 8.7793 116.0606 58.9812 63.7978 173.5889 53 T 5.1157 8.2987 111.3525 59.9798 72.1822 172.7074 54 L 4.7385 9.0554 125.0659 53.3615 45.1760 174.7361 55 Q 5.0549 8.7574 126.8504 54.2951 31.8060 174.4812 56 V 4.3641 8.8420 125.6773 61.5456 35.2018 174.3936 57 S 4.9543 9.0447 124.0439 56.3248 62.3888 172.7834 58 A 4.6079 8.0260 124.4506 49.6997 22.3473 173.5879 59 P 4.6159 0.0000 0.0000 62.9373 32.3044 176.0415 60 F 5.1382 8.9237 120.8902 55.9040 43.5796 173.3554 61 E 4.8114 9.2608 122.8709 55.2496 31.2964 175.4585 62 I 4.2103 8.7382 126.3804 61.3312 37.1096 175.7135 63 L 4.5463 8.8787 128.3266 56.7321 42.8175 177.4333 64 S 4.7142 7.6582 110.7989 57.1191 66.4136 173.4229 65 L 5.1032 8.3637 122.9441 53.8829 44.6425 175.2618 66 S 4.8956 8.9222 122.5729 57.0071 66.3416 173.4857 67 G 4.3538 8.3299 107.6732 45.7007 0.0000 172.0459 68 T 4.8889 8.6992 119.7448 61.8026 70.6683 173.5116 69 L 5.1829 9.0927 128.0236 53.3696 43.6002 176.0852 70 T 5.0804 8.4990 113.2276 59.8902 71.7188 173.5951 71 Y 3.9547 9.0467 123.5481 60.8915 38.8250 177.3824 72 Q 4.4055 8.1979 115.2115 57.0114 29.7780 175.1915 73 H 4.6183 8.1532 116.6385 55.1083 33.3026 171.6238 74 C 5.0812 8.3936 123.9135 58.3295 30.5893 173.0063 75 H 4.7719 9.0861 125.2745 54.8132 30.5613 173.0400 76 L 5.2817 8.2760 125.6109 53.0627 44.8880 175.2734 77 H 5.4273 9.2385 120.3182 53.9958 32.3462 172.7133 78 I 5.0687 8.7904 121.8259 59.0783 41.8639 173.7133 79 A 5.2311 8.8291 128.1948 50.3227 21.7749 175.6458 80 V 5.0786 9.2263 115.1510 59.5090 36.5598 174.4101 81 A 5.5098 9.0748 124.1749 50.4796 22.0768 176.6349 82 D 4.8162 9.1945 121.5490 51.8387 41.6013 176.9673 83 A 3.9976 8.3135 120.8536 54.6836 18.2533 178.1812 84 Q 4.3650 8.6398 113.4551 55.5029 29.2771 176.7530 85 G 4.0116 8.3552 107.3020 44.9063 0.0000 174.1677 86 R 4.1137 7.9794 119.4104 56.0482 31.4246 175.4705 87 V 4.8060 8.0335 122.9503 61.3843 33.1287 174.8022 88 W 4.9502 9.1011 126.7309 55.0631 33.5328 174.2250 89 G 4.0935 8.0985 107.4922 46.0447 0.0000 173.2793 90 G 3.9458 7.1042 104.5187 46.2096 0.0000 170.5224 91 H 4.6943 7.8974 121.5305 55.5150 30.8975 175.9965 92 L 4.3115 8.8441 129.5793 55.3060 42.5333 175.9540 93 L 4.8518 7.9007 125.6894 52.5808 44.9306 175.8752 94 E 4.1187 8.5699 119.1009 57.1680 29.9523 177.5549 95 G 3.8766 9.7045 109.0767 45.1798 0.0000 173.5978 96 N 5.1104 7.8605 117.6721 51.5375 39.4680 173.6683 97 L 4.7948 8.2220 124.5631 53.0046 43.8785 176.5842 98 I 4.1706 8.3344 124.6169 61.8771 37.8835 176.3559 99 N 4.2624 9.2202 125.3856 56.2394 40.2606 174.7546 *101 T 4.6079 7.9617 111.2441 62.1932 69.5900 172.7784 102 A 4.7550 8.1194 125.7616 51.0711 22.1603 175.3417 103 E 4.6109 9.6719 124.8366 55.4914 29.1087 176.0262 104 L 4.6314 8.3410 127.5122 53.3492 44.8033 174.7202 *106 I 4.2307 8.0144 119.7813 61.4519 39.0048 174.5660 107 H 5.2266 8.9190 123.2354 54.4278 30.9208 173.0236 108 H 4.9037 9.1636 123.7765 54.7175 32.2479 173.0707 109 Y 4.7309 8.5443 124.3155 55.2926 37.5362 174.4991 110 P 4.1298 0.0000 0.0000 65.0073 32.0354 177.3781 111 Q 4.1967 8.0419 117.1419 56.8577 29.3846 174.0389 112 H 5.2656 7.9547 113.2299 54.9755 32.6538 173.3958 113 H 4.7490 9.1375 119.2679 55.0200 32.4659 171.7457 114 F 5.7560 9.3156 125.9442 56.5981 40.5633 175.5573 115 T 4.9583 9.0277 112.3416 60.2375 73.0420 172.5028 116 R 5.2089 8.5383 119.0130 54.5893 33.6669 175.0195 117 E 4.8521 9.0792 122.5087 53.9280 33.5504 175.1981 118 F 4.5674 9.1032 125.3992 58.9789 40.4289 173.7800 119 D 4.5331 7.9627 125.5564 51.7147 42.3149 174.7623 120 P 4.2688 0.0000 0.0000 65.4420 31.5290 177.7568 121 N 4.5234 8.4249 114.7984 54.8108 38.7205 175.7984 122 T 4.2741 7.6331 106.4356 60.6210 70.8129 175.2455 123 G 3.7320 8.5010 109.0726 44.9806 0.0000 171.7795 124 Y 5.0916 7.3800 116.3782 55.8315 42.5243 174.6100 125 S 4.9075 8.8083 116.7368 58.3729 63.8262 173.8937 126 E 4.8031 9.0392 123.7178 53.7570 33.3350 175.1793 127 L 4.4053 8.4868 123.6361 55.6741 42.9786 176.3329 128 V 4.4029 9.0456 125.7570 61.1348 34.4702 174.0066 129 V 4.8494 8.4814 127.6217 61.7090 33.2373 174.6780 130 S 4.8558 8.9180 121.3649 57.1702 68.0581 172.6482 131 A 4.6563 8.5719 122.3930 51.1109 20.0703 177.3881 132 A 4.3515 8.6720 121.9885 51.9920 18.9362 176.8661 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 I 8.02 4.38 1.88 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.17 0.77 0.00 0.00 3 H 8.98 4.89 0.00 3.03 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.24 5.11 0.00 1.64 1.54 1.00 0.97 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 5 I 8.60 4.59 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.70 0.00 0.00 6 A 8.52 5.05 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 7 L 8.76 4.41 0.00 1.72 1.45 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.63 4.84 0.00 1.86 1.80 0.00 3.27 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 9 L 9.15 4.84 0.00 1.58 1.55 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.12 4.91 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 11 R 7.97 4.00 0.00 1.93 1.93 0.00 3.07 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 12 G 8.40 3.43 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 0.00 0.00 0.00 *14 D 7.54 4.44 0.00 2.74 2.61 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 0.00 0.00 0.00 0.00 15 L 8.60 3.89 0.00 1.77 1.65 0.91 0.38 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 16 K 8.01 3.89 0.00 1.83 1.76 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 Q 8.61 3.98 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 18 Q 8.35 4.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 19 I 7.73 3.71 1.97 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 0.71 0.87 0.00 0.00 20 V 7.88 3.49 2.16 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 0.93 0.00 0.00 0.89 0.00 0.00 21 Q 8.19 3.95 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 22 L 7.97 3.94 0.00 1.86 1.81 0.88 0.58 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 23 V 7.85 3.51 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 0.93 0.00 0.00 0.95 0.00 0.00 24 Q 7.87 3.51 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 1.44 2.17 0.00 25 Q 8.11 4.00 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.05 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 26 H 8.04 4.63 0.00 3.17 3.26 0.00 6.05 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.73 3.96 0.00 2.01 2.03 0.00 3.17 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 28 I 7.99 3.98 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.33 0.93 0.00 0.00 29 H 8.97 5.00 0.00 3.07 3.34 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.51 4.48 0.35 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 31 G 9.06 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 32 S 8.49 5.72 0.00 3.99 4.23 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 0.00 0.00 0.00 33 I 8.23 4.37 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.92 0.00 0.00 34 A 8.61 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.48 4.54 0.00 3.78 3.62 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 36 C 8.11 4.96 0.00 2.91 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 37 V 7.89 3.71 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 0.93 0.00 0.00 0.93 0.00 0.00 38 G 7.80 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 39 C 8.01 5.25 0.00 3.08 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 40 L 9.21 5.39 0.00 1.71 1.85 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 S 9.31 4.76 0.00 3.85 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 42 T 7.78 5.00 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 1.28 0.00 0.00 43 L 9.14 4.89 0.00 1.02 1.05 0.68 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.57 5.30 0.00 3.17 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.82 4.94 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 1.03 1.10 0.84 0.00 0.00 46 R 8.87 4.76 0.00 1.86 1.81 0.00 3.22 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 47 L 8.89 4.77 0.00 1.61 1.61 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.73 3.94 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 49 D 8.09 4.51 0.00 2.93 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 50 S 8.45 4.16 0.00 4.11 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 51 V 7.77 4.24 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 0.82 0.00 0.00 0.97 0.00 0.00 52 S 8.78 4.55 0.00 3.88 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 53 T 8.30 5.12 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 1.26 0.00 0.00 54 L 9.06 4.74 0.00 1.69 1.47 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.76 5.05 0.00 1.93 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.47 0.00 0.00 0.00 0.00 0.00 2.16 2.43 0.00 56 V 8.84 4.36 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 1.04 0.00 0.00 0.84 0.00 0.00 57 S 9.04 4.95 0.00 3.78 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 58 A 8.03 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.62 0.00 1.99 2.00 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 60 F 8.92 5.14 0.00 2.99 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 61 E 9.26 4.81 0.00 1.95 1.91 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 2.31 2.46 0.00 62 I 8.74 4.21 1.98 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 1.25 0.51 1.00 0.00 0.00 63 L 8.88 4.55 0.00 1.64 1.73 0.95 0.99 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 64 S 7.66 4.71 0.00 3.85 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 65 L 8.36 5.10 0.00 1.58 1.52 0.95 0.85 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 66 S 8.92 4.90 0.00 3.76 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 67 G 8.33 4.35 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 0.00 68 T 8.70 4.89 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 1.15 0.00 0.00 69 L 9.09 5.18 0.00 1.67 1.61 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.50 5.08 4.61 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 0.00 0.00 0.00 1.44 0.00 0.00 71 Y 9.05 3.95 0.00 2.90 3.10 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 72 Q 8.20 4.41 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.42 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 73 H 8.15 4.62 0.00 3.24 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.39 5.08 0.00 2.77 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 75 H 9.09 4.77 0.00 3.29 3.18 0.00 5.55 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 76 L 8.28 5.28 0.00 1.54 1.48 0.88 1.06 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 77 H 9.24 5.43 0.00 2.96 3.11 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.79 5.07 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.63 0.87 0.00 0.00 79 A 8.83 5.23 1.22 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 80 V 9.23 5.08 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 0.69 0.00 0.00 0.82 0.00 0.00 81 A 9.07 5.51 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 82 D 9.19 4.82 0.00 2.79 3.08 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 83 A 8.31 4.00 1.23 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 0.00 0.00 0.00 0.00 0.00 84 Q 8.64 4.37 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 85 G 8.36 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 86 R 7.98 4.11 0.00 2.38 1.69 0.00 3.29 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 87 V 8.03 4.81 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 0.85 0.00 0.00 0.93 0.00 0.00 88 W 9.10 4.95 0.00 3.23 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 89 G 8.10 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 90 G 7.10 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 91 H 7.90 4.69 0.00 3.22 3.27 0.00 5.79 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.84 4.31 0.00 1.63 1.52 0.92 0.97 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 93 L 7.90 4.85 0.00 1.40 1.47 0.61 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.57 4.12 0.00 1.98 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 2.31 2.31 0.00 95 G 9.70 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 0.00 0.00 0.00 96 N 7.86 5.11 0.00 2.64 2.78 0.00 0.00 7.56 6.74 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 97 L 8.22 4.79 0.00 1.61 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.33 4.17 2.06 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 1.23 0.85 1.00 0.00 0.00 99 N 9.22 4.26 0.00 2.83 2.81 0.00 0.00 6.63 7.91 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 *101 T 7.96 4.61 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 0.00 102 A 8.12 4.75 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 0.00 103 E 9.67 4.61 0.00 1.99 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 2.26 2.24 0.00 104 L 8.34 4.63 0.00 1.79 1.74 0.95 0.93 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 *106 I 8.01 4.23 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.37 0.89 0.00 0.00 107 H 8.92 5.23 0.00 2.89 2.79 0.00 5.60 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 0.00 108 H 9.16 4.90 0.00 3.05 3.06 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.54 4.73 0.00 2.70 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 0.00 110 P 0.00 4.13 0.00 1.91 2.02 0.00 3.48 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 111 Q 8.04 4.20 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 112 H 7.95 5.27 0.00 2.88 2.90 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.14 4.75 0.00 3.12 3.13 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.32 5.76 0.00 3.12 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 0.00 115 T 9.03 4.96 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 1.14 0.00 0.00 116 R 8.54 5.21 0.00 1.69 1.84 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 117 E 9.08 4.85 0.00 1.90 1.84 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 2.25 2.24 0.00 118 F 9.10 4.57 0.00 3.01 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 0.00 119 D 7.96 4.53 0.00 2.56 2.33 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 0.00 120 P 0.00 4.27 0.00 2.05 2.18 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.30 0.00 121 N 8.42 4.52 0.00 2.76 2.82 0.00 0.00 6.79 8.28 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 0.00 122 T 7.63 4.27 4.35 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 1.24 0.00 0.00 123 G 8.50 3.73 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 0.00 0.00 0.00 124 Y 7.38 5.09 0.00 3.06 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 0.00 125 S 8.81 4.91 0.00 3.78 3.85 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 0.00 0.00 0.00 126 E 9.04 4.80 0.00 1.77 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 2.34 2.46 0.00 127 L 8.49 4.41 0.00 1.56 1.50 0.61 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 128 V 9.05 4.40 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 0.98 0.00 0.00 1.04 0.00 0.00 129 V 8.48 4.85 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 1.12 0.00 0.00 0.75 0.00 0.00 130 S 8.92 4.86 0.00 3.94 3.72 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 0.00 131 A 8.57 4.66 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 0.00 132 A 8.67 4.35 1.23 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.