NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5186 8.1633 118.3364 55.2415 33.6278 173.7591 2 I 4.3842 8.2134 121.2394 59.6346 39.1533 173.2056 3 S 5.3691 9.7542 124.6039 56.6805 66.8753 172.8481 4 L 5.3960 8.9263 122.6200 53.0424 44.6436 175.2822 5 I 5.2910 8.6226 122.5829 59.4498 40.3031 174.2096 6 A 4.9469 9.3129 129.1729 50.9376 23.3153 174.4118 7 A 4.9982 8.6860 120.5953 50.2331 21.2662 176.0083 8 L 4.8934 9.0870 122.2421 53.0599 45.7399 175.0395 9 A 5.4508 8.1320 121.1566 48.5840 23.2869 176.0227 10 V 3.7370 7.7823 111.3029 63.5482 31.8682 177.0288 11 D 4.5541 9.1570 122.2169 55.5088 37.9166 174.3860 12 R 3.9504 8.0527 114.6480 56.9824 28.2615 175.9590 13 V 4.2575 7.3426 118.9720 63.0458 32.2740 175.1268 14 I 4.9607 8.3149 120.5684 58.4420 40.7371 175.2581 15 G 3.8751 8.8270 109.9778 47.3037 0.0000 172.8364 16 M 4.7105 8.3300 115.8308 56.3130 34.6854 173.9995 17 E 4.7549 7.2381 119.1481 57.1300 37.4300 175.0544 18 N 4.4720 7.7729 117.3159 52.7009 39.6589 174.9125 19 A 4.1011 8.0122 122.3821 52.1094 19.1399 177.3485 20 M 3.7466 7.8592 120.1268 53.9639 33.0188 176.4925 21 P 4.4987 0.0000 0.0000 61.0477 29.2249 174.0481 22 W 4.7762 6.7692 116.2314 56.9477 31.5628 175.7965 23 N 4.9172 10.0360 119.0612 52.0776 39.9714 171.7140 24 L 4.8065 8.3977 124.3380 51.4911 43.4127 175.2238 25 P 4.0879 0.0000 0.0000 65.2355 31.5119 178.1892 26 A 4.0870 8.2533 119.8502 55.1406 18.2922 179.2080 27 D 4.7736 7.8798 116.1298 57.3753 41.2623 178.1900 28 L 4.4612 7.5963 119.1580 57.1399 41.5889 179.2540 29 A 3.9734 7.9953 120.9713 54.9171 18.2001 179.3455 30 W 3.8969 8.6279 127.2719 60.4784 30.6606 177.7117 31 F 4.1221 8.8351 120.8283 61.1745 38.9050 176.7332 32 K 3.5029 8.2615 119.2215 59.6803 31.8155 178.6403 33 R 3.9045 7.7087 117.2329 59.1408 29.8953 177.4671 34 N 4.0908 7.0720 115.0494 54.5632 38.7774 176.5898 35 T 3.9132 6.9792 110.0367 61.3268 69.6360 174.8575 36 L 3.7554 7.3332 123.8132 56.1948 42.5566 175.9745 37 N 4.3334 8.9972 120.5944 53.8687 36.7079 174.0521 38 K 4.7913 7.3843 116.5960 53.6795 37.0831 173.6003 39 P 4.6054 0.0000 0.0000 62.6618 32.9650 175.1546 40 V 4.8419 8.7834 118.5123 59.5693 34.1416 174.7528 41 I 4.9477 8.6515 127.4839 60.3593 39.0816 174.8788 42 M 5.8441 8.8586 122.7783 54.1087 35.2195 174.3754 43 G 4.1903 8.3531 107.2624 44.9152 0.0000 174.7426 44 R 4.2222 8.6622 118.7660 59.8191 29.4683 178.0189 45 H 4.2485 8.2025 115.5406 59.1886 28.7023 177.7803 46 T 3.9232 7.9470 117.0954 66.3715 68.3532 176.3102 47 W 4.2627 8.1522 130.2830 60.5133 30.4168 177.9575 48 E 3.6813 7.8503 117.6676 59.5105 29.0489 179.1005 49 S 4.1890 7.4421 113.0887 61.6679 62.6298 176.6014 50 I 3.8664 8.0260 122.8033 62.1051 36.6100 177.8586 51 G 3.8617 7.5471 105.5635 44.9179 0.0000 172.8479 52 R 4.0124 5.9511 114.2419 54.5759 32.1734 172.2497 53 P 4.8292 0.0000 0.0000 62.2724 32.1652 176.1624 54 L 4.1604 8.5841 121.6795 53.9547 42.0618 175.4024 55 P 4.2400 0.0000 0.0000 63.6317 31.7730 176.4374 56 G 3.8932 9.3320 111.2223 46.0111 0.0000 172.3936 57 R 5.0564 7.5116 116.4723 53.1319 34.4008 174.9405 58 K 4.1199 8.6542 125.1009 56.0375 33.3412 175.1874 59 N 5.0700 8.6136 126.3981 52.7187 40.1760 174.3178 60 I 4.5464 8.8288 125.4392 59.5341 40.2515 174.5642 61 I 4.5805 8.1791 129.1463 59.6431 38.8972 174.5915 62 L 4.9468 8.8164 130.2668 53.9395 42.9477 175.3738 63 S 4.6722 8.9685 119.7591 57.9726 65.8686 174.9091 64 S 4.4949 8.7526 118.7121 59.2687 63.8745 174.7863 65 Q 4.2194 8.1564 121.8707 55.3308 29.3003 174.2183 *66 P 3.8712 0.0000 0.0000 60.4603 30.3551 172.7789 67 G 2.0000 8.0723 116.2930 44.9341 0.0000 173.5830 68 T 4.0858 6.4168 121.3203 59.7390 68.7239 171.5245 69 D 4.9134 7.3019 119.5954 54.3336 44.5799 174.4444 70 D 5.2114 8.2809 122.2748 51.2722 38.8929 174.9729 71 R 4.7430 7.7954 116.4692 57.1141 37.7400 175.9809 72 V 4.3288 7.4290 109.1436 59.4928 34.7160 175.5099 73 T 4.2958 7.9178 119.2771 62.6755 69.8845 173.9012 74 W 5.0551 8.8068 125.8714 55.0388 31.3605 175.5522 75 V 4.7413 8.9768 120.0471 60.3540 34.5290 177.1982 76 K 5.1463 9.1452 121.4323 54.2671 33.1762 177.5162 77 S 4.7322 7.5173 111.4007 56.5484 67.5355 175.3576 78 V 3.4897 8.1222 120.9136 66.3939 30.8729 177.8115 79 D 4.4697 8.0348 117.9482 57.0154 40.8390 177.9751 80 E 3.8041 8.0144 119.8113 58.4828 29.4081 178.5299 81 A 4.1482 8.1330 120.9028 55.0514 18.7330 179.0739 82 I 3.8339 7.7990 117.7229 64.7238 37.1776 178.5160 83 A 4.0651 7.7030 120.7834 55.1005 18.0156 179.2510 84 A 3.7878 7.3358 117.3505 55.3808 18.3762 178.8488 85 C 4.2947 7.7003 109.5436 59.5066 30.8223 176.2798 86 G 3.7205 8.8656 109.9592 46.2995 0.0000 174.8563 87 D 4.7026 8.5364 119.4068 52.3273 40.7248 175.9775 88 V 4.4878 7.6010 117.1258 58.2647 34.7934 174.7882 89 P 4.3349 0.0000 0.0000 65.2236 31.4271 176.3533 90 E 4.9755 7.8532 117.3098 54.2903 32.7003 174.4235 91 I 4.5178 8.3602 125.7485 59.7746 40.6217 174.1832 92 M 4.8371 8.7283 126.8927 53.8811 34.2315 175.3642 93 V 4.5154 8.6282 124.3606 61.3215 32.7470 175.6917 94 I 4.4653 8.7132 121.8235 61.4655 38.5284 175.8109 95 G 3.1352 8.3927 109.0847 44.2276 0.0000 171.2849 96 G 3.3230 7.5987 107.7460 46.5970 0.0000 177.1413 97 G 3.1491 7.5787 103.0561 45.7629 0.0000 177.4003 98 R 3.8887 8.2223 119.5443 58.9255 30.9328 178.7144 99 V 3.6590 7.8516 117.8090 66.2064 31.2892 177.8283 100 Y 4.4060 7.4541 116.8788 61.1099 37.5928 177.9815 101 E 4.0992 8.1153 116.1735 59.1014 29.9135 178.4881 102 Q 4.0517 7.8568 118.0333 57.7589 28.8823 177.1594 103 F 5.0470 7.6022 116.6644 57.6899 40.3625 177.4698 104 L 4.1256 8.0865 120.7896 57.8399 41.6297 176.9088 105 P 4.4613 0.0000 0.0000 65.9643 31.3447 178.4189 106 K 4.4323 7.8523 119.7954 56.4880 32.3696 179.8281 107 A 5.4376 7.3479 119.5529 53.2657 19.0651 177.2564 108 Q 4.6383 8.7386 114.5012 55.3854 32.7077 174.8877 109 K 5.4181 8.3796 117.9531 54.8057 37.1517 174.9821 110 L 4.9691 8.4273 122.4503 53.2639 45.4518 175.3459 111 Y 5.3607 9.0947 121.3611 56.2286 38.9932 174.8010 112 L 4.9437 9.0215 124.1088 52.8287 45.1628 175.9555 113 T 4.7623 7.8002 116.7308 62.9471 72.5398 172.5469 114 H 4.9092 9.2140 125.5876 54.4865 30.0042 174.5725 115 I 4.6455 8.3169 124.4156 59.0331 39.9255 175.4037 116 D 4.5743 8.2200 124.3204 54.9972 41.2867 176.4610 117 A 4.5451 7.8868 121.8064 50.5094 20.4042 177.8561 118 E 4.4898 8.8536 123.5296 56.3108 27.7454 176.1751 119 V 4.2810 7.7208 120.7082 60.9607 33.6206 174.4435 120 E 4.5999 8.3849 126.3485 54.6046 31.0108 175.0429 121 G 4.1173 8.1939 112.8783 45.6932 0.0000 172.1579 122 D 4.7679 8.6013 117.5032 55.0321 42.7562 177.3791 123 T 4.5268 7.7290 115.9487 63.1300 69.9965 173.6910 124 H 5.4509 8.7348 121.7527 53.7580 32.3985 173.1036 125 F 4.3501 9.1138 124.8347 57.0790 39.9752 173.3891 126 P 4.0442 0.0000 0.0000 62.8403 31.5274 175.1518 127 D 4.4760 8.9049 122.7246 54.6483 41.1455 174.5987 128 Y 4.7517 8.6032 127.8705 55.8329 39.9873 175.7765 129 E 4.2229 8.9321 120.3315 55.3386 30.3453 172.7045 130 P 4.8819 0.0000 0.0000 62.8683 31.4910 176.8782 131 D 5.1259 7.3660 116.6735 52.2447 40.8856 180.6789 132 D 4.7229 7.9953 117.1998 55.2935 46.7623 174.5387 133 W 5.5479 8.1721 117.9444 55.9133 32.9871 173.8703 134 E 4.6047 9.2302 124.1989 55.1004 31.1614 175.3958 135 S 4.3736 8.7933 118.8471 58.6002 62.6868 171.9095 136 V 4.2216 9.2874 127.0609 63.5969 32.5233 174.9087 137 F 4.7623 8.0728 121.5183 57.9998 41.7579 174.8586 138 S 4.2973 6.9770 116.2406 57.5539 64.6849 173.9852 139 E 4.3842 8.3669 129.2610 54.3123 32.3391 174.5510 140 F 4.5688 8.7329 129.3391 58.4677 40.7720 173.9980 141 H 4.3283 6.5686 118.9460 54.1119 33.2217 172.4028 142 D 4.9379 8.0373 120.0863 52.6825 42.6623 176.2459 143 A 4.5712 8.6166 123.1883 51.5158 19.6352 176.4147 144 D 4.8574 8.9813 120.1027 51.1158 42.6252 176.3277 145 A 4.2683 8.6294 119.1578 53.7123 18.1015 177.9115 146 Q 4.4313 8.2321 114.2067 55.7948 31.4558 175.2716 147 N 5.1076 8.3672 116.0549 51.0816 39.6327 175.5791 148 S 4.1653 9.0640 119.9786 60.8197 62.9328 173.7228 149 H 5.0386 7.7922 116.6886 53.8433 33.5591 172.7185 150 S 4.3515 8.5446 115.5422 58.8785 64.2356 173.0160 151 Y 4.9312 6.9835 119.1066 56.2034 41.6870 172.7813 152 C 4.8334 8.6377 120.3717 57.6142 35.1901 172.5840 153 F 5.0462 8.5742 124.9586 56.5382 40.2867 174.5108 154 E 5.1751 9.2644 123.4678 54.8374 33.8907 173.6881 155 I 5.6821 8.9810 125.1936 58.4943 41.0936 174.2476 156 L 5.3495 8.3940 126.2341 53.0252 44.4868 175.8377 157 E 4.7051 9.3998 124.4539 55.8841 31.1658 175.9879 158 R 3.2001 8.2477 125.7230 56.0250 30.9913 177.1971 159 R 4.2080 7.7639 125.0521 56.9322 30.0277 173.6501 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 1 M 8.16 4.52 0.00 2.14 2.43 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 2 I 8.21 4.38 1.95 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 1.18 0.46 0.87 0.00 0.00 3 S 9.75 5.37 0.00 3.99 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 0.00 4 L 8.93 5.40 0.00 1.72 1.69 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.62 5.29 1.95 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 1.57 1.51 1.07 0.00 0.00 6 A 9.31 4.95 1.11 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 0.00 0.00 7 A 8.69 5.00 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 8 L 9.09 4.89 0.00 1.49 1.58 0.69 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.13 5.45 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.78 3.74 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 0.85 0.00 0.00 0.97 0.00 0.00 11 D 9.16 4.55 0.00 2.89 2.89 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 12 R 8.05 3.95 0.00 2.14 2.15 0.00 3.22 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 13 V 7.34 4.26 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 1.04 0.00 0.00 1.02 0.00 0.00 14 I 8.31 4.96 2.13 0.00 0.00 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 1.44 1.00 1.32 0.00 0.00 15 G 8.83 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 16 M 8.33 4.71 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 17 E 7.24 4.75 0.00 1.88 1.74 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 2.19 2.34 0.00 18 N 7.77 4.47 0.00 2.69 2.69 0.00 0.00 6.85 7.35 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 19 A 8.01 4.10 1.12 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 0.00 0.00 20 M 7.86 3.75 0.00 0.51 0.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 21 P 0.00 4.50 0.00 2.16 2.01 0.00 3.28 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 1.81 1.84 0.00 22 W 6.77 4.78 0.00 3.10 3.07 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 23 N 10.04 4.92 0.00 2.79 2.75 0.00 0.00 7.41 7.04 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 24 L 8.40 4.81 0.00 1.44 1.22 0.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.09 0.00 2.16 2.11 0.00 3.80 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.17 0.00 26 A 8.25 4.09 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 27 D 7.88 4.77 0.00 2.58 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 28 L 7.60 4.46 0.00 1.79 1.79 0.96 0.78 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 29 A 8.00 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.63 3.90 0.00 2.79 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 31 F 8.84 4.12 0.00 3.39 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 32 K 8.26 3.50 0.00 1.94 1.91 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 33 R 7.71 3.90 0.00 1.68 2.01 0.00 3.12 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.42 0.00 34 N 7.07 4.09 0.00 2.05 1.85 0.00 0.00 6.95 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 35 T 6.98 3.91 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 0.58 0.00 0.00 36 L 7.33 3.76 0.00 1.53 1.45 0.86 0.94 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 37 N 9.00 4.33 0.00 2.79 2.83 0.00 0.00 6.73 7.17 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 38 K 7.38 4.79 0.00 1.76 1.51 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.33 7.81 39 P 0.00 4.61 0.00 2.05 2.13 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 40 V 8.78 4.84 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 0.62 0.00 0.00 0.91 0.00 0.00 41 I 8.65 4.95 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.77 1.08 0.00 0.00 42 M 8.86 5.84 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 43 G 8.35 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 0.00 0.00 0.00 0.00 44 R 8.66 4.22 0.00 2.01 1.95 0.00 3.22 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 45 H 8.20 4.25 0.00 3.30 3.36 0.00 5.87 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 46 T 7.95 3.92 4.31 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 1.25 0.00 0.00 47 W 8.15 4.26 0.00 3.35 3.32 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 48 E 7.85 3.68 0.00 2.03 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 2.66 2.55 0.00 49 S 7.44 4.19 0.00 4.01 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 50 I 8.03 3.87 1.67 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.10 0.91 0.00 0.00 51 G 7.55 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 52 R 5.95 4.01 0.00 1.67 1.76 0.00 3.04 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.32 0.00 53 P 0.00 4.83 0.00 2.31 2.34 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 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0.91 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 63 S 8.97 4.67 0.00 4.05 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 64 S 8.75 4.49 0.00 3.89 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 65 Q 8.16 4.22 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 *66 P 0.00 3.87 0.00 2.11 1.81 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 67 G 8.07 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 6.42 4.09 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 69 D 7.30 4.91 0.00 3.26 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 70 D 8.28 5.21 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 79 D 8.03 4.47 0.00 2.74 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 80 E 8.01 3.80 0.00 2.00 2.04 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 2.33 2.34 0.00 81 A 8.13 4.15 1.58 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 0.00 0.00 82 I 7.80 3.83 2.17 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.56 0.97 0.00 0.00 83 A 7.70 4.07 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 84 A 7.34 3.79 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 85 C 7.70 4.29 0.00 3.15 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 86 G 8.87 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 0.00 0.00 0.00 87 D 8.54 4.70 0.00 2.62 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 88 V 7.60 4.49 2.04 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 0.82 0.00 0.00 0.92 0.00 0.00 89 P 0.00 4.33 0.00 2.01 2.09 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 90 E 7.85 4.98 0.00 1.92 1.73 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 2.16 2.33 0.00 91 I 8.36 4.52 1.78 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 0.97 0.82 0.00 0.00 92 M 8.73 4.84 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 93 V 8.63 4.52 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 1.16 0.00 0.00 0.27 0.00 0.00 94 I 8.71 4.47 2.24 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 1.15 0.00 0.00 95 G 8.39 3.14 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 0.00 96 G 7.60 3.32 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 0.00 97 G 7.58 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 0.00 0.00 0.00 98 R 8.22 3.89 0.00 1.82 1.98 0.00 3.52 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 99 V 7.85 3.66 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 1.17 0.00 0.00 0.96 0.00 0.00 100 Y 7.45 4.41 0.00 3.00 2.39 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 0.00 101 E 8.12 4.10 0.00 2.12 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 0.00 2.58 2.40 0.00 102 Q 7.86 4.05 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 103 F 7.60 5.05 0.00 3.47 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 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1.37 1.08 0.37 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 113 T 7.80 4.76 4.15 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 0.94 0.00 0.00 114 H 9.21 4.91 0.00 2.97 3.17 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 8.32 4.65 1.25 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.80 0.22 0.00 0.00 116 D 8.22 4.57 0.00 2.56 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 0.00 117 A 7.89 4.55 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.49 0.00 2.03 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 2.36 2.28 0.00 119 V 7.72 4.28 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 0.75 0.00 0.00 1.08 0.00 0.00 120 E 8.38 4.60 0.00 1.97 1.82 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 2.23 2.31 0.00 121 G 8.19 4.12 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 0.00 0.00 0.00 122 D 8.60 4.77 0.00 2.68 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 0.00 123 T 7.73 4.53 4.31 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 1.28 0.00 0.00 124 H 8.73 5.45 0.00 3.06 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.11 4.35 0.00 3.09 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.04 0.00 1.86 1.98 0.00 2.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.99 0.00 127 D 8.90 4.48 0.00 2.69 2.68 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 0.00 128 Y 8.60 4.75 0.00 2.99 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 0.00 129 E 8.93 4.22 0.00 1.92 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 2.31 1.90 0.00 130 P 0.00 4.88 0.00 2.06 2.15 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 131 D 7.37 5.13 0.00 2.75 2.49 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 0.00 132 D 8.00 4.72 0.00 2.86 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.17 5.55 0.00 3.37 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 0.00 134 E 9.23 4.60 0.00 2.09 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 0.00 2.25 2.31 0.00 135 S 8.79 4.37 0.00 4.04 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 0.00 136 V 9.29 4.22 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 0.89 0.00 0.00 1.05 0.00 0.00 137 F 8.07 4.76 0.00 3.28 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 0.00 138 S 6.98 4.30 0.00 3.72 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.37 4.38 0.00 1.89 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 2.12 2.26 0.00 140 F 8.73 4.57 0.00 2.90 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 0.00 141 H 6.57 4.33 0.00 1.40 2.22 0.00 5.65 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 0.00 142 D 8.04 4.94 0.00 2.45 2.53 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 0.00 143 A 8.62 4.57 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 0.00 144 D 8.98 4.86 0.00 2.86 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 0.00 145 A 8.63 4.27 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 0.00 146 Q 8.23 4.43 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 147 N 8.37 5.11 0.00 2.93 2.82 0.00 0.00 6.66 7.16 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 0.00 148 S 9.06 4.17 0.00 4.01 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 0.00 149 H 7.79 5.04 0.00 3.00 3.14 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.54 4.35 0.00 3.88 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 0.00 151 Y 6.98 4.93 0.00 2.63 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 0.00 152 C 8.64 4.83 0.00 2.99 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 0.00 153 F 8.57 5.05 0.00 3.01 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 0.00 0.00 0.00 0.00 154 E 9.26 5.18 0.00 1.99 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 2.25 2.45 0.00 155 I 8.98 5.68 2.21 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 1.48 0.92 0.86 0.00 0.00 156 L 8.39 5.35 0.00 1.60 1.93 1.16 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 157 E 9.40 4.71 0.00 1.90 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 2.37 2.43 0.00 158 R 8.25 3.20 0.00 0.67 1.22 0.00 3.07 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.50 0.00 159 R 7.76 4.21 0.00 1.60 1.61 0.00 3.35 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 * Residues marked with a * may have inaccurate shift predictions.