NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 P 4.4992 0.0000 0.0000 62.8771 33.0328 175.2124 1 M 4.9615 8.5071 123.1195 52.6280 35.3297 173.2097 2 K 4.8230 9.1110 119.0844 54.7789 37.8451 174.8086 3 K 5.0445 9.2421 123.2945 54.7929 35.0925 174.6880 4 I 4.9448 8.8729 127.9693 59.5664 40.1454 174.2414 5 E 5.0983 9.3766 126.2999 54.4765 32.5143 174.7251 6 A 4.9620 9.0795 126.9759 50.1211 22.0418 174.7133 7 I 4.7329 8.5744 124.7593 60.1488 38.9865 175.5875 8 V 4.6809 8.3096 119.5027 58.9033 36.8778 175.4445 9 K 4.0431 8.2683 120.5970 55.8708 32.1397 176.5680 10 P 4.1412 0.0000 0.0000 65.8434 31.3438 178.0181 11 F 4.7328 7.3232 109.1534 57.2806 37.8718 176.2861 12 K 4.4272 7.6438 120.1605 56.3552 32.3580 177.5965 13 L 3.8900 7.3942 121.1609 58.4623 41.9373 178.2729 14 D 4.3927 8.1508 117.8391 57.7623 40.8326 178.5437 15 D 4.3688 8.1253 118.4495 57.4599 40.8478 179.0928 16 V 3.5411 7.8441 118.4711 65.9640 31.4785 178.0962 17 R 3.9308 8.2578 118.4094 59.4159 30.0112 178.9243 18 E 3.9373 8.3977 117.0752 59.3254 29.2719 178.9445 19 A 3.9972 8.0187 121.7450 54.9656 18.4668 179.6709 20 L 4.1010 8.1148 117.5320 58.2019 41.7327 179.7638 21 T 4.1147 8.1381 117.3161 66.1373 68.1165 176.4672 22 E 4.1180 8.2397 119.8795 58.2570 29.3974 178.3159 23 I 4.4311 6.9849 111.5393 60.4033 38.0918 176.2884 24 G 3.8613 7.9686 107.0686 45.9170 0.0000 173.4623 25 I 4.7265 8.1857 120.6819 58.7182 38.8170 176.1342 26 T 4.2486 8.5372 114.4269 62.5481 70.7405 174.6931 27 G 3.7394 8.0424 111.5900 45.2255 0.0000 172.1723 28 M 5.0778 8.2777 121.5864 54.1369 34.8086 174.1814 29 T 4.7429 8.7792 115.8677 61.7833 71.9767 173.5130 30 V 5.0130 8.3604 124.3061 61.1789 34.5296 174.5979 31 S 4.8295 8.8605 121.0730 56.5934 66.8725 172.5097 32 E 4.8857 8.7149 120.8067 55.8271 30.4732 175.9652 33 V 4.6053 8.6288 116.3826 59.8115 37.0242 174.0012 34 K 4.6755 8.6407 120.8204 54.7258 34.0689 176.1894 35 G 4.2172 9.0345 112.5623 44.6531 0.0000 172.6099 36 F 4.9597 9.8908 123.5585 57.5698 42.0726 174.0087 37 G 4.0179 9.3568 112.3576 45.2226 0.0000 175.0268 38 R 4.1643 8.8847 115.4604 56.3581 30.6251 177.2725 *53 V 3.7885 7.5505 117.3844 63.2174 32.3640 174.3453 54 D 4.8355 8.4453 116.7933 54.0053 40.7991 175.9931 55 F 4.8833 6.7983 113.1094 55.4032 41.0842 173.4617 56 L 4.9754 8.6291 118.7004 51.9485 45.7931 174.5194 57 P 4.8604 0.0000 0.0000 63.2371 32.1942 175.3674 58 K 4.8671 9.2516 121.6482 54.7283 37.4855 174.7257 59 I 4.9921 8.5460 113.6945 59.1072 40.9969 174.4375 60 K 4.7601 9.1001 126.6813 55.0003 34.0853 174.6516 61 I 4.8267 8.7169 129.5935 60.1093 39.1347 174.7554 62 E 5.3489 9.2452 126.5639 54.4393 32.9730 174.9862 63 L 5.0072 8.7751 123.1437 54.1562 44.7654 175.0120 64 V 4.9856 8.3706 120.3641 61.1609 34.4486 174.2089 65 L 5.2553 8.7070 126.6366 54.0005 44.7833 175.0650 66 A 4.4301 8.7808 122.0348 51.9367 18.9503 178.1905 67 D 4.4458 8.9034 122.9204 56.8184 38.9559 178.8745 68 D 4.4700 8.1081 117.7356 54.9027 40.0805 177.0098 69 A 4.4593 8.1654 122.0756 52.5484 19.4696 178.9602 70 V 3.5185 7.4553 117.7777 65.8832 31.6260 177.4648 71 E 3.9037 8.1492 118.3781 59.5700 29.5451 178.9047 72 R 3.9252 7.9699 117.2359 59.0213 30.1599 178.7317 73 A 3.9796 7.8799 120.1357 55.1993 18.3794 179.6164 74 I 3.5891 7.9327 118.4589 64.7813 37.2497 178.2771 75 D 4.3460 8.1200 119.5196 57.5542 40.6636 179.2545 76 V 3.6268 7.9161 118.5843 65.9122 31.5407 178.2327 77 I 3.7018 7.7615 119.7421 64.3437 36.9708 178.5858 78 V 3.5727 7.9737 119.2474 65.7609 31.0780 177.6372 79 E 3.9070 8.0123 118.3141 59.4446 29.6120 178.9136 80 V 3.8412 7.5661 109.9001 63.1318 31.8292 177.4984 81 A 4.4782 7.6586 119.0879 51.9820 19.7935 177.5294 82 R 4.1100 8.0469 119.0615 56.5742 30.3737 176.1846 83 S 4.5726 9.7900 119.0543 57.3647 64.6530 175.1237 84 G 4.0301 8.9692 108.5865 44.8445 0.0000 173.1629 85 K 4.6975 7.3447 117.1643 53.9642 35.4889 175.2096 86 I 3.5636 8.0528 120.5062 62.9197 37.4436 176.3270 87 G 3.9606 8.9978 111.6237 45.6918 0.0000 174.9149 88 D 4.0794 7.3266 120.0002 55.3194 40.9247 174.9422 89 G 3.6840 7.0638 103.1557 43.9241 0.0000 172.6871 90 K 4.5643 8.5390 116.2392 54.6784 36.8407 175.9824 91 I 4.6731 7.7412 122.2676 59.4920 40.3864 174.7900 92 F 5.2063 9.1332 125.3547 55.5985 42.5987 174.2975 93 V 4.9309 8.5910 121.5046 61.1899 33.8089 174.5550 94 L 5.0729 8.8961 127.3927 51.9717 45.5834 174.2584 95 P 4.6969 0.0000 0.0000 62.8414 32.3858 175.5995 96 V 4.3843 7.9686 122.0747 61.4733 33.0520 175.3452 97 E 4.2781 9.0473 127.0867 58.0054 30.1582 176.3984 98 E 4.5157 7.8333 117.6444 54.4223 32.8487 173.8567 99 A 4.6107 8.5526 126.3728 50.4588 21.8703 174.3070 100 I 4.8369 8.3305 121.9378 60.2107 40.1183 175.7988 101 R 4.2074 9.0812 128.3341 55.1804 30.0402 176.6415 102 I 3.6840 8.6959 128.7243 64.6910 37.5109 177.6108 103 R 4.0632 8.2548 119.1856 59.0908 29.8188 177.0230 104 T 4.4033 8.0357 103.4269 60.7543 70.3855 174.7825 105 G 3.9077 8.6075 110.7824 45.0190 0.0000 173.1989 106 E 4.4434 7.6705 120.0835 55.4678 31.1089 176.2914 107 R 4.5187 8.3926 117.7216 56.5468 30.5396 176.7244 108 S 4.5064 8.5633 117.8420 57.2363 62.5419 172.2240 109 D 4.8932 8.3054 126.7344 52.0180 42.7503 176.4005 110 A 3.9078 9.0541 130.0639 54.9530 18.5884 178.3450 111 A 4.2598 8.3999 116.4589 51.8523 19.1359 177.8096 112 V 3.7125 7.6765 115.0094 61.7840 32.4082 173.1102 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 0 P 0.00 4.50 0.00 1.78 2.00 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 1 M 8.51 4.96 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 2 K 9.11 4.82 0.00 1.62 1.64 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.52 7.81 3 K 9.24 5.04 0.00 1.76 1.64 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 4 I 8.87 4.94 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 1.24 0.70 0.90 0.00 0.00 5 E 9.38 5.10 0.00 2.11 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 2.27 2.30 0.00 6 A 9.08 4.96 1.14 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 7 I 8.57 4.73 1.81 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 1.23 1.33 0.92 0.00 0.00 8 V 8.31 4.68 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 0.65 0.00 0.00 0.84 0.00 0.00 9 K 8.27 4.04 0.00 1.07 0.74 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.32 1.27 7.81 10 P 0.00 4.14 0.00 2.22 2.12 0.00 3.32 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 2.16 2.05 0.00 11 F 7.32 4.73 0.00 3.14 3.13 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 12 K 7.64 4.43 0.00 1.78 1.79 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.97 1.39 7.81 13 L 7.39 3.89 0.00 1.92 1.68 0.92 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.15 4.39 0.00 2.75 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 15 D 8.13 4.37 0.00 2.87 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 16 V 7.84 3.54 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 1.01 0.00 0.00 0.91 0.00 0.00 17 R 8.26 3.93 0.00 2.06 1.97 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 18 E 8.40 3.94 0.00 2.19 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 0.00 2.56 2.33 0.00 19 A 8.02 4.00 1.42 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 20 L 8.11 4.10 0.00 1.84 1.83 0.91 0.60 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 21 T 8.14 4.11 4.38 0.00 0.00 0.00 0.00 0.00 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 22 E 8.24 4.12 0.00 2.15 2.02 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 2.35 2.55 0.00 23 I 6.98 4.43 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 1.71 0.66 0.91 0.00 0.00 24 G 7.97 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 0.00 0.00 0.00 25 I 8.19 4.73 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 0.98 1.87 0.91 0.00 0.00 26 T 8.54 4.25 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 27 G 8.04 3.74 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 0.00 0.00 0.00 28 M 8.28 5.08 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 29 T 8.78 4.74 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 1.21 0.00 0.00 30 V 8.36 5.01 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 0.83 0.00 0.00 0.93 0.00 0.00 31 S 8.86 4.83 0.00 3.90 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 32 E 8.71 4.89 0.00 1.87 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 2.27 2.28 0.00 33 V 8.63 4.61 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 0.95 0.00 0.00 34 K 8.64 4.68 0.00 1.46 1.00 0.00 1.17 0.00 0.00 0.61 0.00 0.00 2.56 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.99 1.19 7.81 35 G 9.03 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 36 F 9.89 4.96 0.00 2.86 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 37 G 9.36 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 38 R 8.88 4.16 0.00 1.95 2.06 0.00 3.08 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 *53 V 7.55 3.79 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 0.12 0.00 0.00 0.67 0.00 0.00 54 D 8.45 4.84 0.00 3.01 2.96 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 55 F 6.80 4.88 0.00 2.14 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 56 L 8.63 4.98 0.00 1.58 1.54 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.86 0.00 2.12 2.14 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 58 K 9.25 4.87 0.00 1.62 1.79 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.51 7.81 59 I 8.55 4.99 1.85 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 1.18 0.70 0.89 0.00 0.00 60 K 9.10 4.76 0.00 1.83 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.42 7.81 61 I 8.72 4.83 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 1.21 0.59 0.90 0.00 0.00 62 E 9.25 5.35 0.00 1.86 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 2.23 2.23 0.00 63 L 8.78 5.01 0.00 1.68 1.70 0.92 0.62 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 64 V 8.37 4.99 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 1.09 0.00 0.00 0.94 0.00 0.00 65 L 8.71 5.26 0.00 1.84 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.78 4.43 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 67 D 8.90 4.45 0.00 2.97 2.97 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 0.00 0.00 0.00 68 D 8.11 4.47 0.00 2.85 2.84 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 69 A 8.17 4.46 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 70 V 7.46 3.52 2.20 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 1.07 0.00 0.00 0.94 0.00 0.00 71 E 8.15 3.90 0.00 2.07 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 2.38 2.41 0.00 72 R 7.97 3.93 0.00 1.89 1.96 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 73 A 7.88 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.59 2.01 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 1.50 0.70 0.89 0.00 0.00 75 D 8.12 4.35 0.00 2.84 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 76 V 7.92 3.63 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 1.05 0.00 0.00 0.97 0.00 0.00 77 I 7.76 3.70 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 0.89 0.86 0.00 0.00 78 V 7.97 3.57 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 0.87 0.00 0.00 0.93 0.00 0.00 79 E 8.01 3.91 0.00 2.17 2.12 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 2.32 2.40 0.00 80 V 7.57 3.84 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 0.82 0.00 0.00 1.02 0.00 0.00 81 A 7.66 4.48 1.28 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 0.00 0.00 82 R 8.05 4.11 0.00 1.75 1.94 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 83 S 9.79 4.57 0.00 3.95 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 84 G 8.97 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 0.00 0.00 0.00 85 K 7.34 4.70 0.00 1.88 1.68 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.41 7.81 86 I 8.05 3.56 1.88 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 1.36 0.34 0.92 0.00 0.00 87 G 9.00 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 0.00 0.00 0.00 88 D 7.33 4.08 0.00 2.75 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 89 G 7.06 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 0.00 0.00 0.00 90 K 8.54 4.56 0.00 1.26 1.10 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 91 I 7.74 4.67 1.73 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 0.83 0.00 0.00 92 F 9.13 5.21 0.00 2.92 2.82 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 93 V 8.59 4.93 2.12 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 0.84 0.00 0.00 0.96 0.00 0.00 94 L 8.90 5.07 0.00 1.64 1.50 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.70 0.00 2.07 2.05 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 96 V 7.97 4.38 2.12 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 0.84 0.00 0.00 0.94 0.00 0.00 97 E 9.05 4.28 0.00 1.99 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 2.29 0.00 98 E 7.83 4.52 0.00 1.84 1.76 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 2.19 2.36 0.00 99 A 8.55 4.61 1.26 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 0.00 0.00 0.00 100 I 8.33 4.84 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 1.23 0.71 0.91 0.00 0.00 101 R 9.08 4.21 0.00 1.85 1.93 0.00 3.12 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 I 8.70 3.68 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 1.30 0.64 0.91 0.00 0.00 103 R 8.25 4.06 0.00 1.77 1.96 0.00 3.17 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 104 T 8.04 4.40 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 0.00 105 G 8.61 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 0.00 0.00 0.00 106 E 7.67 4.44 0.00 1.90 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 2.33 2.26 0.00 107 R 8.39 4.52 0.00 1.81 1.93 0.00 3.02 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 108 S 8.56 4.51 0.00 3.91 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 0.00 109 D 8.31 4.89 0.00 2.72 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.05 3.91 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 0.00 111 A 8.40 4.26 1.28 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 0.00 0.00 112 V 7.68 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.