NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2873 8.3033 118.8035 57.4296 30.9908 175.4144 3 N 4.8230 9.0514 119.5570 53.2255 36.5907 174.7247 4 I 3.8298 8.1412 123.0277 63.9131 39.1599 177.5641 5 E 4.6350 7.9776 118.0538 58.2913 29.4888 176.9742 6 Y 4.6014 7.8216 115.2145 57.8571 38.7898 174.7328 7 V 4.9662 7.5637 120.5407 60.9961 33.4430 174.6535 8 F 4.9846 9.3286 129.5287 56.4555 42.7749 173.0274 9 E 4.9803 7.8311 124.1220 54.7197 32.2276 174.3979 10 D 4.7388 8.6626 121.9656 52.9797 45.8159 173.7789 11 V 4.7898 7.9745 119.1298 59.5360 34.5717 175.4283 12 V 4.0055 8.7666 124.5942 63.0394 32.5213 175.2634 13 R 4.5946 8.9721 126.5290 53.8683 33.2680 176.9847 14 I 3.5202 7.9837 120.2051 64.3201 38.0161 176.9033 15 Y 4.4828 7.1473 115.3113 58.2003 38.3435 175.5254 16 D 4.4595 8.0353 121.2135 54.8848 41.4616 175.8685 17 T 5.3344 7.6281 108.2389 58.7962 71.5734 172.6003 18 D 5.0413 8.0533 120.3337 51.3047 42.3456 175.9247 19 A 4.1420 8.5469 120.6235 54.7790 16.9101 178.2868 20 Q 4.1725 8.7603 114.6708 55.8389 28.7066 177.3509 21 G 3.9016 8.3820 106.1062 45.7841 0.0000 173.3218 22 I 4.9703 7.1171 111.1879 58.2489 41.5959 174.4229 23 A 4.5923 9.1387 125.7402 52.6711 18.9906 177.1732 24 H 4.8118 8.5668 117.6098 53.9402 31.5728 175.3755 25 Y 4.2926 9.0452 118.6669 61.2013 38.6174 178.2495 26 A 4.1887 8.2745 120.1913 54.5028 18.5279 179.1504 27 A 3.5483 8.0363 119.8487 55.5082 18.2796 179.4705 28 Y 3.9264 7.4809 113.8504 61.1154 37.9058 178.0100 29 Y 2.0000 7.5567 120.1815 59.7254 38.9511 177.7728 30 R 3.5443 7.3262 119.7006 59.2493 30.1471 178.6318 31 F 4.4258 7.1795 117.7394 60.6028 38.9499 177.7518 32 F 4.1437 7.7627 114.3487 59.7426 37.7000 177.8062 33 T 3.6780 7.0800 116.3065 66.5489 68.1939 176.0719 34 N 3.9396 7.5494 117.8135 56.4726 38.4667 177.6143 35 T 3.3732 7.2186 116.7847 66.5270 68.4773 176.9003 36 I 3.2314 7.9183 121.9551 63.9632 36.9701 177.9887 37 E 3.4634 8.1413 120.4505 59.0402 29.3354 178.9014 38 K 3.8220 7.8181 119.4935 59.2696 32.2960 178.2987 39 F 4.0673 8.0649 120.9546 61.6169 39.1717 177.1991 40 I 3.3652 7.7227 119.2588 63.9124 36.8681 178.3491 41 K 3.9547 7.7629 120.3520 59.7601 32.2086 178.8376 42 E 3.8936 8.1850 118.9745 58.8697 29.1174 179.0788 43 K 3.7848 7.8386 119.0659 58.0942 32.4482 177.4848 44 V 4.0214 7.6721 117.0303 61.8296 33.0304 175.3912 45 G 4.2179 8.0890 106.7692 47.3104 0.0000 172.8392 46 I 4.7492 7.4495 110.5136 57.5259 40.9769 172.9612 47 P 4.5559 0.0000 0.0000 63.0607 31.9239 175.1301 48 Y 4.8457 8.1107 119.5954 55.8171 41.8821 172.9737 49 P 3.9362 0.0000 0.0000 62.6243 32.0946 174.9874 50 I 4.2578 7.1125 120.5685 59.9008 37.3085 175.6069 51 V 3.9889 8.6483 126.4502 65.0862 31.8646 175.3714 52 N 4.9549 7.7329 114.3732 51.7124 39.6356 174.4230 53 E 4.1099 8.8920 115.5661 59.1712 29.1810 177.3853 54 N 4.5089 8.6700 115.3668 53.0573 39.3820 174.0800 55 L 4.6943 8.0501 121.7935 53.7500 45.0398 174.6033 56 W 5.4428 8.9228 126.0781 54.9240 33.2576 174.4794 57 F 5.3322 9.2469 120.9388 56.0731 40.3560 175.9196 58 V 4.6988 8.7497 116.2547 59.3562 35.5463 175.0631 59 I 4.6251 8.7406 125.2725 61.7001 36.9950 175.6761 60 A 4.6574 9.0867 128.9872 53.0152 20.5047 176.6017 61 E 4.9711 7.8906 113.7345 55.4859 32.9851 174.4572 62 S 5.1431 8.7515 119.5749 57.1310 66.5268 172.5808 63 H 4.7996 8.5501 120.4166 54.8631 33.3073 171.8557 64 A 4.6670 7.8737 124.8269 50.4524 22.4886 175.2253 65 I 4.1301 8.2658 121.1548 59.5798 40.5188 174.4939 66 Y 4.6436 8.4812 124.7477 56.7972 37.9001 175.0642 67 H 4.5701 9.1313 122.7632 58.0756 29.5300 176.4720 68 R 4.7756 7.8420 114.3918 53.6142 34.0872 172.8296 69 P 4.8074 0.0000 0.0000 62.8874 32.7517 175.6927 70 V 4.6585 8.5144 113.1690 59.6915 35.6953 174.6069 71 K 4.9283 8.7533 121.6257 53.7921 36.6938 175.4093 72 L 4.1015 8.3544 123.2476 56.8798 42.1386 176.4240 73 G 4.0277 9.0604 115.3375 45.2809 0.0000 173.5967 74 D 4.4665 7.9033 119.9249 54.5842 41.8226 176.1190 75 K 4.7261 8.4819 121.8773 55.7760 33.4942 176.1449 76 L 5.0279 9.1707 122.9303 53.2242 46.3035 175.5320 77 T 4.8781 8.4043 117.3663 61.8682 71.7628 173.0583 78 V 4.7618 9.3090 127.2691 61.4361 33.8505 174.2569 79 L 5.1740 8.9489 127.9161 53.0632 43.7899 175.0175 80 L 5.1809 9.0344 126.5499 53.4820 44.5652 175.7037 81 N 4.6796 9.2719 124.2901 50.8578 40.5756 170.5094 82 P 4.5916 0.0000 0.0000 61.8855 32.5965 175.7191 83 K 4.3885 8.7177 124.0742 54.4747 34.9705 175.8203 84 I 4.2553 8.3127 126.9945 60.5347 36.7253 175.8906 85 L 4.1535 8.2586 127.1685 56.9698 41.8997 176.8885 86 S 4.5245 7.3446 110.4392 57.5374 64.9594 174.0463 87 N 4.5845 8.7231 116.9050 54.7041 36.9296 175.3317 88 K 4.7439 8.2689 115.5259 57.1480 36.5021 175.6824 89 T 5.2357 7.9931 117.7581 62.0015 72.6045 172.7743 90 I 4.7788 8.9125 125.5378 59.2598 41.5424 174.3306 91 K 4.6894 8.8129 127.7186 54.9673 34.0885 175.2607 92 F 4.8035 9.2632 128.7862 56.2519 39.3355 175.0134 93 E 4.9037 8.8006 124.0832 56.0125 30.9188 175.9917 94 F 6.1254 8.6232 117.2002 55.0381 42.0239 173.3272 95 K 5.1599 8.8796 118.5962 54.7597 36.1848 174.9596 96 V 4.8752 9.1310 123.9573 61.3027 33.9885 174.4922 97 L 5.3915 8.9032 127.1230 52.9496 45.6167 175.3957 98 K 4.6483 8.9027 122.3197 55.4527 35.6267 176.1216 99 D 4.3618 9.7581 128.0577 55.7681 38.5049 173.9470 100 G 4.0157 8.2081 101.3621 46.2742 0.0000 173.1983 101 E 4.6440 8.1562 118.8232 53.6681 31.6630 175.3232 102 L 4.5299 8.4546 124.9024 55.4350 42.7874 176.2529 103 T 4.6348 9.0363 116.5623 63.1288 71.5149 174.5419 104 T 5.2386 7.7141 116.7132 62.1655 73.3076 172.7356 105 E 4.8274 8.6729 121.9979 55.1811 33.7669 175.0516 106 G 3.2234 7.3851 105.8268 46.8841 0.0000 171.3872 107 Y 5.3723 7.4244 116.3258 56.0528 41.7632 174.1987 108 V 5.0669 8.8465 113.4352 59.7972 35.9394 174.5454 109 I 5.0319 8.9375 124.8016 59.8569 39.4069 174.6849 110 Q 5.4073 9.4566 126.0601 54.2038 32.4007 174.5796 111 I 5.1383 8.7243 122.7529 59.3093 40.8867 174.7639 112 A 4.3519 9.0271 129.4282 51.7341 19.5097 176.4888 113 I 4.7864 8.5479 115.3749 58.8951 41.9716 173.9243 114 N 5.0746 8.7777 122.7339 51.3847 39.2255 173.9695 115 P 4.1546 0.0000 0.0000 64.0094 32.0241 177.5727 116 K 4.0712 7.9638 119.1377 58.4407 32.0294 177.7192 117 I 4.2075 7.7122 109.3638 59.3108 39.0921 174.7662 118 W 3.2074 8.0193 130.1939 58.6988 29.4612 173.2535 119 K 4.8438 7.3436 114.9096 54.0601 36.1193 177.1425 120 S 4.6687 8.4747 116.6438 58.9758 64.0561 173.1665 121 T 4.6097 8.3270 114.5557 59.5002 70.2612 175.3856 122 E 4.4279 8.7653 126.0860 55.1118 28.9456 175.9386 *124 P 4.2782 0.0000 0.0000 61.7295 32.4507 177.3954 125 K 3.9905 8.6749 119.6511 59.4970 32.5902 178.3430 126 E 3.9948 8.3551 119.3508 59.8596 29.7389 179.6525 127 I 3.9926 7.6001 116.1265 62.1499 36.3899 177.8596 *129 D 4.6100 8.2053 122.6848 54.4969 42.7469 178.2747 130 K 3.8894 7.7542 117.4450 59.3596 32.2863 179.4102 131 L 4.1246 7.9197 117.8822 57.7469 41.5762 178.7244 132 S 4.3417 7.5171 111.3892 59.8609 63.3285 174.3729 133 I 4.0012 7.2802 123.0598 61.7733 37.7409 175.7486 134 K 4.2625 8.7911 124.5445 56.6895 32.6213 175.7714 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 E 8.30 4.29 0.00 2.18 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 0.00 2.29 2.31 0.00 3 N 9.05 4.82 0.00 3.18 3.18 0.00 0.00 6.78 6.48 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 4 I 8.14 3.83 1.89 0.00 0.00 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 1.31 1.24 0.91 0.00 0.00 5 E 7.98 4.64 0.00 1.41 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 2.08 2.21 0.00 6 Y 7.82 4.60 0.00 3.25 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 7 V 7.56 4.97 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 0.77 0.00 0.00 1.10 0.00 0.00 8 F 9.33 4.98 0.00 3.11 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 9 E 7.83 4.98 0.00 1.57 1.61 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 2.08 2.10 0.00 10 D 8.66 4.74 0.00 2.73 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 0.00 0.00 0.00 0.00 11 V 7.97 4.79 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 0.73 0.00 0.00 0.97 0.00 0.00 12 V 8.77 4.01 2.24 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 0.75 0.00 0.00 0.87 0.00 0.00 13 R 8.97 4.59 0.00 1.31 0.66 0.00 3.12 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.29 0.00 14 I 7.98 3.52 1.81 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 1.47 1.23 0.92 0.00 0.00 15 Y 7.15 4.48 0.00 3.06 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 16 D 8.04 4.46 0.00 2.75 2.62 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 17 T 7.63 5.33 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 1.23 0.00 0.00 18 D 8.05 5.04 0.00 2.91 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 19 A 8.55 4.14 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 20 Q 8.76 4.17 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 21 G 8.38 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 22 I 7.12 4.97 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.78 1.01 0.00 0.00 23 A 9.14 4.59 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.57 4.81 0.00 3.32 3.65 0.00 5.50 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.05 4.29 0.00 2.98 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 26 A 8.27 4.19 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 27 A 8.04 3.55 0.96 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 28 Y 7.48 3.93 0.00 3.35 3.23 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 29 Y 7.56 2.00 0.00 2.62 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 30 R 7.33 3.54 0.00 1.67 1.43 0.00 3.23 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 31 F 7.18 4.43 0.00 3.16 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 32 F 7.76 4.14 0.00 2.57 2.50 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 33 T 7.08 3.68 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 1.04 0.00 0.00 34 N 7.55 3.94 0.00 2.42 1.82 0.00 0.00 7.10 6.48 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 35 T 7.22 3.37 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 1.24 0.00 0.00 36 I 7.92 3.23 1.20 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.28 -0.88 0.00 0.00 37 E 8.14 3.46 0.00 2.02 1.80 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 2.25 2.37 0.00 38 K 7.82 3.82 0.00 1.84 1.84 0.00 1.84 0.00 0.00 1.94 0.00 0.00 3.32 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 39 F 8.06 4.07 0.00 3.22 3.05 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 0.00 0.00 0.00 0.00 40 I 7.72 3.37 1.66 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.46 0.96 0.00 0.00 41 K 7.76 3.95 0.00 1.88 1.90 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.45 7.81 42 E 8.19 3.89 0.00 1.87 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 2.27 2.34 0.00 43 K 7.84 3.78 0.00 0.91 0.95 0.00 1.83 0.00 0.00 1.52 0.00 0.00 3.04 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.17 1.27 7.81 44 V 7.67 4.02 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 0.86 0.00 0.00 0.84 0.00 0.00 45 G 8.09 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 0.00 0.00 0.00 46 I 7.45 4.75 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.96 0.00 0.00 47 P 0.00 4.56 0.00 2.42 2.12 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.98 0.00 48 Y 8.11 4.85 0.00 2.88 2.71 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 0.00 0.00 0.00 0.00 49 P 0.00 3.94 0.00 2.06 1.20 0.00 3.44 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.51 0.00 50 I 7.11 4.26 1.64 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 -0.03 0.87 0.00 0.00 51 V 8.65 3.99 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 0.89 0.00 0.00 1.19 0.00 0.00 52 N 7.73 4.95 0.00 2.99 2.95 0.00 0.00 5.90 7.66 0.00 0.00 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 E 8.89 4.11 0.00 2.12 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 0.00 2.31 2.34 0.00 54 N 8.67 4.51 0.00 2.86 2.81 0.00 0.00 6.26 7.13 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 55 L 8.05 4.69 0.00 1.70 1.58 0.71 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 8.92 5.44 0.00 3.06 2.86 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 57 F 9.25 5.33 0.00 2.83 3.09 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 58 V 8.75 4.70 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 0.87 0.00 0.00 0.93 0.00 0.00 59 I 8.74 4.63 2.07 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 1.13 0.00 0.00 60 A 9.09 4.66 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 61 E 7.89 4.97 0.00 2.14 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 2.49 2.40 0.00 62 S 8.75 5.14 0.00 3.91 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 63 H 8.55 4.80 0.00 2.46 1.47 0.00 5.58 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 64 A 7.87 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.27 4.13 1.61 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 1.12 0.69 0.62 0.00 0.00 66 Y 8.48 4.64 0.00 2.76 2.85 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 67 H 9.13 4.57 0.00 3.24 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.84 4.78 0.00 1.82 1.83 0.00 3.25 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 69 P 0.00 4.81 0.00 2.14 2.11 0.00 3.76 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 2.03 2.04 0.00 70 V 8.51 4.66 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 1.01 0.00 0.00 71 K 8.75 4.93 0.00 1.68 1.67 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.36 7.81 72 L 8.35 4.10 0.00 1.54 1.56 0.86 1.08 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 73 G 9.06 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 74 D 7.90 4.47 0.00 2.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.73 0.00 1.57 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.41 7.81 76 L 9.17 5.03 0.00 1.19 1.30 0.17 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.40 4.88 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 1.23 0.00 0.00 78 V 9.31 4.76 2.27 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 1.18 0.00 0.00 1.06 0.00 0.00 79 L 8.95 5.17 0.00 1.69 1.61 0.95 0.49 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 80 L 9.03 5.18 0.00 1.66 1.65 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 81 N 9.27 4.68 0.00 2.70 2.57 0.00 0.00 7.06 7.39 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 82 P 0.00 4.59 0.00 1.86 1.66 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 83 K 8.72 4.39 0.00 1.60 1.56 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.25 7.81 84 I 8.31 4.26 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.43 0.94 0.00 0.00 85 L 8.26 4.15 0.00 1.63 1.67 0.83 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.34 4.52 0.00 3.92 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 87 N 8.72 4.58 0.00 2.86 2.99 0.00 0.00 5.69 7.13 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 88 K 8.27 4.74 0.00 1.89 2.07 0.00 1.24 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.43 7.81 89 T 7.99 5.24 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 1.22 0.00 0.00 90 I 8.91 4.78 1.50 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 0.99 0.72 -0.13 0.00 0.00 91 K 8.81 4.69 0.00 1.59 1.48 0.00 1.24 0.00 0.00 1.38 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.08 7.81 92 F 9.26 4.80 0.00 3.12 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 93 E 8.80 4.90 0.00 2.02 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 2.26 2.18 0.00 94 F 8.62 6.13 0.00 3.11 3.12 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 0.00 95 K 8.88 5.16 0.00 1.75 1.75 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 96 V 9.13 4.88 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 1.10 0.00 0.00 1.26 0.00 0.00 97 L 8.90 5.39 0.00 1.65 1.52 0.97 0.64 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 98 K 8.90 4.65 0.00 1.75 1.60 0.00 1.95 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.54 7.81 99 D 9.76 4.36 0.00 2.80 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 0.00 100 G 8.21 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 0.00 101 E 8.16 4.64 0.00 2.06 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 2.23 2.35 0.00 102 L 8.45 4.53 0.00 1.58 1.55 1.03 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.04 4.63 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 104 T 7.71 5.24 4.47 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 1.04 0.00 0.00 105 E 8.67 4.83 0.00 1.82 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 2.12 2.10 0.00 106 G 7.39 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 0.00 0.00 0.00 107 Y 7.42 5.37 0.00 3.03 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 0.00 108 V 8.85 5.07 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 0.20 0.00 0.00 1.04 0.00 0.00 109 I 8.94 5.03 2.02 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 1.20 0.93 0.97 0.00 0.00 110 Q 9.46 5.41 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 111 I 8.72 5.14 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 0.91 0.00 0.00 112 A 9.03 4.35 1.04 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 0.00 0.00 113 I 8.55 4.79 1.48 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.46 0.67 0.00 0.00 114 N 8.78 5.07 0.00 2.67 2.60 0.00 0.00 6.87 7.32 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 0.00 115 P 0.00 4.15 0.00 0.90 0.49 0.00 3.43 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 116 K 7.96 4.07 0.00 1.89 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.23 7.81 117 I 7.71 4.21 1.88 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 1.24 0.66 0.89 0.00 0.00 118 W 8.02 3.21 0.00 3.53 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 0.00 119 K 7.34 4.84 0.00 1.61 1.59 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.34 7.81 120 S 8.47 4.67 0.00 3.90 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 0.00 121 T 8.33 4.61 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 1.08 0.00 0.00 122 E 8.77 4.43 0.00 1.95 1.43 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 2.29 2.50 0.00 *124 P 0.00 4.28 0.00 2.27 2.00 0.00 3.68 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 2.02 2.11 0.00 125 K 8.67 3.99 0.00 1.75 1.88 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.38 7.81 126 E 8.36 3.99 0.00 2.01 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 2.42 2.40 0.00 127 I 7.60 3.99 2.08 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 1.41 0.79 1.08 0.00 0.00 *129 D 8.21 4.61 0.00 2.94 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 0.00 130 K 7.75 3.89 0.00 2.08 2.01 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 131 L 7.92 4.12 0.00 1.83 1.84 1.05 0.98 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 0.00 132 S 7.52 4.34 0.00 3.85 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 0.00 133 I 7.28 4.00 1.91 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 1.21 0.75 0.95 0.00 0.00 134 K 8.79 4.26 0.00 1.97 2.27 0.00 2.33 0.00 0.00 2.32 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.