NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6965 8.4449 116.3177 55.3498 29.3585 171.9944 *2 Q 4.4905 8.4175 117.2759 56.5975 29.6656 175.1172 3 T 4.7717 8.6044 117.3889 62.2140 73.4025 172.8116 4 Q 5.0243 8.6761 123.0876 54.3471 32.0829 175.0534 5 I 4.4583 8.5273 123.0084 59.3258 41.2193 174.1646 6 K 4.6332 8.4816 128.1740 55.2397 33.4582 175.9827 7 V 3.8992 8.7515 128.5912 62.8750 32.7409 175.2961 8 R 4.7470 8.5312 125.8390 53.8366 33.3180 177.1463 9 G 3.6652 8.6654 108.7140 48.9535 0.0000 174.9960 10 Y 4.3747 7.6313 115.4712 58.4721 38.6708 175.9920 11 H 4.4575 7.7028 118.3517 57.4884 29.3518 175.4575 12 L 4.8306 7.2967 119.0535 53.9418 42.3923 176.0317 13 D 5.2490 8.3071 121.2921 51.4375 41.8341 176.6753 14 V 3.4804 8.4681 117.2021 65.3396 30.8547 176.2610 15 Y 4.2172 8.4838 116.4863 57.7126 37.9435 176.3340 16 Q 3.8267 8.5284 118.1104 56.6331 27.0603 172.5939 17 H 5.3616 7.4617 114.8502 53.4252 32.8804 173.3687 18 V 4.0847 8.2791 121.0306 63.2553 31.8541 175.5655 19 N 4.6862 8.6519 126.4342 53.2198 39.5058 175.3336 20 N 4.1972 9.0815 122.2841 56.5565 39.1736 177.3215 21 A 3.9581 8.0468 120.4651 55.0187 19.0064 179.3674 22 R 3.6955 7.8435 115.4840 59.6289 29.8041 178.2939 23 Y 3.8221 7.4901 116.2629 60.9528 37.8519 178.6317 24 L 4.0800 8.0923 119.8246 57.5881 41.5594 179.3947 25 E 4.1018 7.9138 118.4558 59.2412 29.5309 178.9420 26 F 4.5610 7.9511 117.9317 60.8238 39.1228 177.7576 27 L 4.0936 8.4762 118.8472 57.7781 41.3317 179.1984 28 E 3.9786 8.4808 119.3674 59.0976 29.5210 178.2925 29 E 4.1346 8.8076 119.6290 59.5588 29.7231 178.7763 30 A 4.1168 8.0150 121.8901 54.6537 18.1541 179.9120 31 R 3.8026 7.6602 115.6513 59.0749 30.4875 178.9138 32 W 4.2302 8.4294 119.0730 59.7093 28.8206 178.0386 33 D 4.7610 8.0280 119.6008 56.8965 40.5628 178.4256 34 G 3.7349 8.1634 103.8812 46.3019 0.0000 174.4088 35 L 4.7624 7.4950 119.5024 54.1411 41.9770 177.3098 36 E 4.3735 7.8258 116.8078 56.7463 29.2223 178.3337 37 N 4.3558 8.6563 121.4374 55.0849 39.3148 176.4647 38 S 4.3272 8.3109 111.3194 59.3179 60.4473 172.9859 39 D 4.4398 7.7097 120.6841 55.8033 39.4068 176.9269 40 S 4.7487 7.8881 112.4049 59.3409 69.2975 176.2755 41 F 3.9246 8.6169 121.9001 61.2504 39.6402 175.8681 42 Q 4.3164 8.5980 121.2822 59.0706 29.2258 178.0245 43 W 4.2167 7.9157 123.1596 58.9531 30.3297 177.1764 *45 T 4.1534 7.9292 114.4934 63.3158 70.1759 175.2572 46 A 4.1177 8.6743 124.4194 55.6914 18.4558 178.7153 47 H 4.3055 8.4031 110.0229 55.6188 28.4302 175.2695 48 N 4.1487 8.0513 116.2197 54.9832 37.3969 173.6063 49 I 4.9330 7.3155 116.1679 59.5464 41.4628 176.5025 50 A 4.5491 8.2414 126.7773 49.8890 22.5886 175.2238 51 F 4.9211 8.4661 119.3479 57.3941 40.3377 175.4721 52 V 4.4622 8.8336 122.2470 61.1685 34.7075 174.3334 53 V 4.3826 8.6792 128.4868 63.1057 31.5136 175.7747 54 V 4.3934 8.8195 120.7532 61.8832 33.7189 175.6055 55 N 4.9794 7.8372 117.7557 52.3393 42.4604 173.0623 56 I 4.8852 8.3684 125.4042 59.5616 40.7470 174.3497 57 N 4.8040 9.0236 126.1116 51.8233 40.7344 172.2849 58 I 4.7782 8.1406 125.8061 58.9701 40.8896 173.9456 59 N 4.6951 8.8652 126.9518 51.8930 40.6098 173.5074 60 Y 4.1635 8.4589 121.8687 57.1800 38.4347 175.0903 61 R 4.3657 8.8614 123.1299 57.2163 31.2785 176.6686 62 R 4.5918 7.3633 118.6978 53.5538 32.5646 172.7705 63 P 4.5878 0.0000 0.0000 62.7382 32.1460 175.9389 64 A 4.5197 9.1232 126.7820 51.7657 20.0520 177.0761 65 V 4.5675 9.3309 114.6870 58.4193 35.1304 174.8710 66 L 4.0697 8.3089 121.8696 57.4502 41.8189 177.4353 67 S 4.1968 8.8378 120.5875 58.4212 61.8383 169.6814 68 D 4.4376 7.9522 121.4887 54.4269 41.8156 175.2827 69 L 4.8155 8.4184 125.0774 53.5989 43.0838 175.3353 70 L 4.6207 8.9489 127.8675 54.1851 43.5772 176.0129 71 T 4.8594 8.9001 120.4392 61.8705 71.1944 173.3043 72 I 4.8672 9.1232 127.9070 59.9678 39.7368 174.6333 73 T 4.8330 8.9182 125.0046 61.8333 70.5427 173.9064 74 S 5.4457 8.5890 122.1147 56.9221 66.2983 173.4734 75 Q 4.6425 8.7242 119.6436 54.6156 32.2060 173.3606 76 L 4.2250 8.5348 124.4574 55.8361 42.1561 175.9614 77 Q 4.3429 9.2794 128.7146 58.4009 29.8036 175.4907 78 Q 4.6687 7.7145 115.3492 54.6507 33.8662 173.8636 79 L 4.8178 8.3893 119.9820 53.4196 44.5221 175.6188 80 N 4.6616 9.1697 122.4245 53.0377 40.4999 179.8904 81 G 3.3926 7.3560 107.8861 46.0953 0.0000 175.1179 82 K 4.8860 7.5993 121.0895 54.6581 34.3060 175.9715 83 S 4.6413 9.1466 114.2930 57.1536 66.7288 172.9668 84 G 3.8840 8.0564 107.4496 44.3348 0.0000 171.3748 85 I 5.0959 8.6083 120.2885 59.2343 40.8540 174.3625 86 L 4.9643 9.2662 129.7964 53.3746 44.3870 174.8567 87 S 5.1077 8.9028 121.3132 57.2289 64.5584 172.7599 88 Q 4.9723 9.0503 124.8841 54.2471 32.6673 174.0453 89 V 4.6055 8.9588 124.4693 61.0263 34.6138 174.0271 90 I 5.0669 9.0355 129.2248 59.9726 39.1570 174.8965 91 T 5.1897 9.0730 116.8325 59.9155 73.1801 172.6730 92 L 4.8664 8.5511 121.9691 53.3630 43.2174 176.1618 93 E 4.8290 8.6950 123.7139 54.1406 31.4770 174.5295 94 P 4.5544 0.0000 0.0000 63.5271 32.2150 176.9459 95 E 3.9262 8.1626 119.1368 58.4096 29.3894 178.2302 96 G 3.9500 8.7595 104.8916 44.9260 0.0000 173.2941 97 Q 4.0888 7.8522 118.9203 55.9878 29.7560 175.6585 98 V 4.2802 8.2980 123.4020 62.3330 32.3953 176.4884 99 V 3.7333 9.2869 129.0408 64.9460 32.5180 175.4424 100 A 4.9253 7.7261 119.3243 51.4412 22.5703 174.3010 101 D 5.1181 8.3839 116.9328 52.4160 43.1827 174.2658 102 A 5.0541 9.1564 121.2174 50.7143 23.5566 174.8058 103 L 4.9293 8.6662 119.5534 53.0418 44.5763 175.7938 104 I 4.5101 9.1009 125.9076 60.0509 39.0342 174.7467 105 T 4.9269 8.8347 125.7461 62.4828 69.9872 174.4474 106 F 5.5479 8.6591 120.6134 55.3871 42.3254 173.6001 107 V 4.8537 9.0399 111.3409 60.0115 36.7834 174.7658 108 C 5.1201 8.7102 119.0354 58.1985 30.3417 173.1084 109 I 4.6720 8.1314 118.1736 59.5145 39.6634 174.9950 110 D 4.6560 8.8471 125.2323 53.8464 40.8370 176.4473 111 L 3.4176 8.1565 127.2332 57.9590 41.4128 179.1533 112 K 4.1322 7.8925 118.2095 59.1955 32.4349 178.1845 113 T 3.8983 7.9426 115.9486 63.0258 67.8654 174.1516 114 Q 3.5419 8.7481 122.0600 57.4244 28.2630 172.8753 115 K 4.8126 7.6275 112.8560 53.6637 36.5060 175.9888 116 A 4.5405 8.5917 125.0417 52.4059 18.6203 177.4898 117 L 4.3951 8.9773 123.4594 53.7940 42.9958 177.1592 118 A 4.2220 8.4174 124.8658 52.4142 19.1185 178.1442 119 L 4.2176 9.0834 122.9795 56.5002 42.3310 179.2648 120 E 3.8606 8.7975 119.4185 60.1143 30.6774 179.0550 121 G 3.1631 7.2109 97.7462 45.9508 0.0000 174.1562 122 E 4.6593 8.7016 116.2052 54.9189 33.2355 176.8966 123 L 4.1390 7.8805 120.8944 57.0077 41.6288 178.6732 124 R 3.9551 7.5328 117.1929 59.6820 30.4899 177.9740 125 E 4.0286 8.2329 117.3957 59.8446 29.5093 179.8532 126 K 3.9505 7.7324 117.7070 59.5067 32.4304 177.4972 127 L 4.4187 8.2250 119.3317 54.8626 42.4560 177.2898 128 E 4.6764 8.0897 117.8295 57.3309 35.7181 176.5498 129 Q 4.1609 7.6045 118.1406 54.9992 27.4979 175.4959 *131 V 3.9485 7.3970 120.9469 63.1432 33.8535 174.9661 132 K 4.1876 8.0071 121.6635 56.9355 32.0335 175.3008 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 H 8.44 4.70 0.00 3.40 3.33 0.00 5.72 0.00 0.00 0.00 0.00 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 Q 8.42 4.49 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 3 T 8.60 4.77 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 1.20 0.00 0.00 4 Q 8.68 5.02 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 5 I 8.53 4.46 1.29 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 0.95 0.53 0.16 0.00 0.00 6 K 8.48 4.63 0.00 1.69 1.66 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.45 7.81 7 V 8.75 3.90 2.25 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 0.90 0.00 0.00 0.87 0.00 0.00 8 R 8.53 4.75 0.00 0.82 1.66 0.00 3.36 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 9 G 8.67 3.67 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 0.00 0.00 0.00 10 Y 7.63 4.37 0.00 3.05 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 11 H 7.70 4.46 0.00 3.31 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.30 4.83 0.00 1.62 1.62 0.93 1.01 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 13 D 8.31 5.25 0.00 2.94 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 14 V 8.47 3.48 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 0.07 0.00 0.00 0.67 0.00 0.00 15 Y 8.48 4.22 0.00 3.13 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 16 Q 8.53 3.83 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 17 H 7.46 5.36 0.00 3.19 3.19 0.00 5.65 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 18 V 8.28 4.08 1.69 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 -0.15 0.00 0.00 0.96 0.00 0.00 19 N 8.65 4.69 0.00 2.92 2.62 0.00 0.00 7.06 6.87 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 20 N 9.08 4.20 0.00 2.66 2.64 0.00 0.00 6.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.05 3.96 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 22 R 7.84 3.70 0.00 1.71 1.65 0.00 3.08 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 23 Y 7.49 3.82 0.00 3.45 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 24 L 8.09 4.08 0.00 2.03 1.77 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.91 4.10 0.00 2.09 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 0.00 2.45 2.40 0.00 26 F 7.95 4.56 0.00 3.29 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 27 L 8.48 4.09 0.00 1.90 1.95 0.93 1.15 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 28 E 8.48 3.98 0.00 2.27 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 0.00 2.70 2.38 0.00 29 E 8.81 4.13 0.00 2.35 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 2.38 2.46 0.00 30 A 8.02 4.12 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 31 R 7.66 3.80 0.00 1.79 1.73 0.00 2.92 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 32 W 8.43 4.23 0.00 3.51 3.15 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 33 D 8.03 4.76 0.00 2.86 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 34 G 8.16 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 35 L 7.50 4.76 0.00 1.59 1.67 0.83 0.84 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 36 E 7.83 4.37 0.00 2.14 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 0.00 2.54 2.26 0.00 37 N 8.66 4.36 0.00 2.78 3.00 0.00 0.00 7.25 7.34 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 38 S 8.31 4.33 0.00 4.17 4.06 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 39 D 7.71 4.44 0.00 2.90 2.95 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 40 S 7.89 4.75 0.00 3.73 3.77 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 41 F 8.62 3.92 0.00 3.13 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 42 Q 8.60 4.32 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.89 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 43 W 7.92 4.22 0.00 3.64 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 *45 T 7.93 4.15 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 46 A 8.67 4.12 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 47 H 8.40 4.31 0.00 3.19 3.39 0.00 6.01 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.05 4.15 0.00 2.96 2.77 0.00 0.00 6.98 7.34 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 49 I 7.32 4.93 1.70 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 1.24 0.99 0.77 0.00 0.00 50 A 8.24 4.55 1.15 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 0.00 0.00 51 F 8.47 4.92 0.00 2.88 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 52 V 8.83 4.46 2.17 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 1.00 0.00 0.00 0.99 0.00 0.00 53 V 8.68 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 0.92 0.00 0.00 0.94 0.00 0.00 54 V 8.82 4.39 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 0.73 0.00 0.00 0.96 0.00 0.00 55 N 7.84 4.98 0.00 2.72 2.58 0.00 0.00 6.99 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 56 I 8.37 4.89 1.88 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 1.24 0.81 0.90 0.00 0.00 57 N 9.02 4.80 0.00 2.89 2.64 0.00 0.00 6.19 8.10 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 58 I 8.14 4.78 1.66 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.72 0.70 0.00 0.00 59 N 8.87 4.70 0.00 2.75 2.61 0.00 0.00 6.62 7.34 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 60 Y 8.46 4.16 0.00 2.73 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 61 R 8.86 4.37 0.00 1.94 1.93 0.00 3.07 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.00 62 R 7.36 4.59 0.00 1.72 1.89 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 63 P 0.00 4.59 0.00 1.64 1.76 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 64 A 9.12 4.52 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 65 V 9.33 4.57 2.13 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 0.93 0.00 0.00 1.05 0.00 0.00 66 L 8.31 4.07 0.00 1.59 1.62 0.91 0.94 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 67 S 8.84 4.20 0.00 4.10 4.06 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 68 D 7.95 4.44 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.42 4.82 0.00 1.59 1.56 0.92 0.97 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 70 L 8.95 4.62 0.00 1.48 1.51 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.90 4.86 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 1.19 0.00 0.00 72 I 9.12 4.87 1.87 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 1.26 0.73 0.94 0.00 0.00 73 T 8.92 4.83 4.17 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 0.99 0.00 0.00 74 S 8.59 5.45 0.00 3.68 3.69 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 75 Q 8.72 4.64 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 76 L 8.53 4.22 0.00 1.68 1.65 1.16 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.28 4.34 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.43 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 78 Q 7.71 4.67 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.62 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 79 L 8.39 4.82 0.00 1.46 1.56 1.02 1.09 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 80 N 9.17 4.66 0.00 2.58 2.63 0.00 0.00 6.77 7.83 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 81 G 7.36 3.39 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 0.00 82 K 7.60 4.89 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.36 7.81 83 S 9.15 4.64 0.00 3.57 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 84 G 8.06 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 85 I 8.61 5.10 1.83 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 1.02 0.57 0.95 0.00 0.00 86 L 9.27 4.96 0.00 1.76 1.54 0.92 0.45 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 87 S 8.90 5.11 0.00 3.93 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 88 Q 9.05 4.97 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 89 V 8.96 4.61 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 1.04 0.00 0.00 0.90 0.00 0.00 90 I 9.04 5.07 2.03 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 1.01 0.00 0.00 91 T 9.07 5.19 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 1.20 0.00 0.00 92 L 8.55 4.87 0.00 1.79 1.63 0.93 0.98 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 93 E 8.69 4.83 0.00 1.93 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 2.22 2.20 0.00 94 P 0.00 4.55 0.00 2.17 2.15 0.00 3.78 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 1.96 1.97 0.00 95 E 8.16 3.93 0.00 2.11 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 2.32 2.38 0.00 96 G 8.76 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 97 Q 7.85 4.09 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 98 V 8.30 4.28 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 0.97 0.00 0.00 0.92 0.00 0.00 99 V 9.29 3.73 2.29 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 1.39 0.00 0.00 0.99 0.00 0.00 100 A 7.73 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.38 5.12 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 102 A 9.16 5.05 1.15 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 0.00 0.00 103 L 8.67 4.93 0.00 1.57 1.55 0.89 0.68 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 0.00 104 I 9.10 4.51 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.95 0.00 0.00 105 T 8.83 4.93 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 1.12 0.00 0.00 106 F 8.66 5.55 0.00 3.19 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 0.00 107 V 9.04 4.85 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 0.77 0.00 0.00 1.05 0.00 0.00 108 C 8.71 5.12 0.00 2.86 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 0.00 109 I 8.13 4.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.94 0.00 0.00 110 D 8.85 4.66 0.00 2.76 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 0.00 111 L 8.16 3.42 0.00 1.78 1.76 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.89 4.13 0.00 1.92 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.37 7.81 113 T 7.94 3.90 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 1.34 0.00 0.00 114 Q 8.75 3.54 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 115 K 7.63 4.81 0.00 1.70 1.64 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.59 7.81 116 A 8.59 4.54 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 0.00 117 L 8.98 4.40 0.00 1.54 1.60 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.42 4.22 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 0.00 119 L 9.08 4.22 0.00 1.67 1.74 0.91 0.89 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 0.00 120 E 8.80 3.86 0.00 1.91 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 2.28 2.30 0.00 121 G 7.21 3.16 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 0.00 122 E 8.70 4.66 0.00 1.90 1.88 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 2.21 2.32 0.00 123 L 7.88 4.14 0.00 1.87 1.69 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.53 3.96 0.00 1.78 2.20 0.00 3.19 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 125 E 8.23 4.03 0.00 1.85 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 2.35 2.34 0.00 126 K 7.73 3.95 0.00 1.75 1.62 0.00 1.22 0.00 0.00 1.28 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.41 7.81 127 L 8.22 4.42 0.00 1.87 1.86 1.06 1.36 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 0.00 128 E 8.09 4.68 0.00 2.06 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 2.26 2.48 0.00 129 Q 7.60 4.16 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 *131 V 7.40 3.95 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 0.82 0.00 0.00 0.99 0.00 0.00 132 K 8.01 4.19 0.00 1.92 1.77 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.35 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.48 7.81 * Residues marked with a * may have inaccurate shift predictions.