NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 F 5.1873 8.3093 119.4113 57.6803 40.5214 174.0970 9 S 4.8583 10.7700 120.2631 55.7698 65.7287 171.6231 10 E 4.1440 10.0450 120.0145 60.5160 29.8171 180.4663 11 E 3.6478 7.5584 113.5793 59.3067 30.8565 179.2656 12 Q 4.6064 8.2406 118.7215 59.0621 29.0942 179.4393 13 F 3.8909 7.6363 116.0889 60.9531 39.2442 177.6184 14 W 4.3511 8.1700 117.8398 59.9912 28.9996 178.2339 15 E 3.9892 8.3264 117.9591 59.7095 28.7376 179.4327 16 A 4.2185 7.8119 118.9632 55.1119 18.5308 179.0387 17 C 4.3057 8.4666 115.2626 62.8437 28.1426 174.6270 18 A 3.9552 7.8975 122.1951 55.3695 17.5359 178.8141 19 E 4.4425 7.4692 120.5903 57.4487 29.7384 179.2586 20 L 4.1042 7.1796 119.6443 58.2719 42.3832 178.3580 21 Q 4.2019 7.5138 116.4685 57.2793 28.8446 176.2577 22 Q 4.3566 7.8033 121.1212 53.3661 30.9155 173.0249 23 P 4.5069 0.0000 0.0000 62.2890 29.8309 175.6014 24 A 4.2091 8.4779 126.7925 51.2142 17.3783 176.9240 25 L 4.3301 7.9539 119.6549 55.0569 44.1859 178.2681 26 A 4.0566 8.9044 121.4186 56.4567 17.5575 180.7262 27 G 3.3990 6.1439 98.7672 45.9354 0.0000 176.1848 28 A 4.9239 7.5859 125.1471 49.4429 22.8084 175.8364 29 D 4.7134 8.3163 113.5790 54.0232 39.1420 176.0253 30 W 4.6239 7.8704 121.4902 56.7557 31.1057 176.7878 31 Q 4.7573 8.9496 117.9001 54.3532 32.9759 175.0282 32 L 3.7599 8.5141 125.3937 55.4167 42.8333 174.4640 33 L 4.5143 7.7048 121.6799 55.9582 48.9894 174.6294 34 V 4.4455 7.3206 115.9856 62.1826 35.0475 172.1739 35 E 5.1989 8.4660 123.9367 55.7622 33.3364 174.8259 36 T 4.4118 9.8992 120.1025 63.5222 72.9222 173.2738 37 S 3.7288 10.0417 116.2392 59.0984 62.2482 172.3886 38 G 3.9624 9.0011 106.8541 45.9814 0.0000 173.3483 39 I 5.1684 8.5498 119.3152 59.3688 42.0474 175.1082 40 S 5.8481 9.3094 120.7628 55.8335 66.0246 173.0896 41 I 5.0114 8.2979 122.3043 60.2104 39.6517 174.3535 42 Y 5.7922 9.9681 125.7425 56.2916 40.6665 175.1324 43 R 5.3426 8.8643 116.3155 55.0452 33.3890 173.2809 44 L 3.9953 8.1270 124.0598 52.8027 44.6572 174.5747 45 L 3.9631 7.8028 128.3662 52.9497 43.1703 175.3197 46 D 4.3014 8.1919 127.7485 53.9573 41.2411 177.1984 47 K 4.0593 8.6450 126.6311 58.8960 32.5650 179.0784 48 K 4.1175 8.2030 118.0621 59.3194 32.2452 178.2347 49 T 4.0624 8.3917 107.5031 61.9331 69.2870 176.0575 50 G 3.8518 8.7221 109.3953 45.3003 0.0000 173.2398 51 L 4.6028 7.6771 120.1580 54.4461 43.4038 175.1703 52 Y 4.8938 8.6017 116.8145 56.1663 41.9650 174.8588 53 E 4.9112 8.6452 121.0085 54.9228 32.9134 174.1808 54 Y 5.7276 9.1980 123.9158 56.5392 41.8277 174.6345 55 K 4.8385 9.6731 122.2338 55.0083 36.1714 175.0622 56 V 4.9871 7.7718 125.8496 61.2301 35.0785 173.9700 57 F 6.0359 9.2887 123.8336 54.6624 44.3341 174.6043 58 G 4.6280 7.8254 106.5284 44.6981 0.0000 171.5377 59 V 4.8726 8.9114 119.8065 61.2193 35.1249 175.6927 60 L 4.6993 8.7718 125.6866 52.6579 43.5911 175.9623 61 E 4.3827 8.5250 122.6847 57.1276 30.4234 176.9675 62 D 4.6355 8.9585 120.1697 54.7344 38.0160 174.7224 63 C 4.5530 7.5174 116.7668 57.0396 29.0696 172.5655 64 S 4.0439 8.4964 119.7338 58.5100 62.8791 173.8804 65 P 4.2027 0.0000 0.0000 66.2101 30.9940 178.4573 66 T 3.6459 7.7465 111.0983 65.0210 67.2804 175.9909 67 L 3.8183 8.2511 121.3911 57.5519 41.6037 179.0052 68 L 3.8863 7.7594 119.4234 58.2872 41.8536 178.9367 69 A 3.9988 7.3254 118.8433 55.2964 18.4466 178.8973 70 D 4.5597 7.7114 115.7638 57.9063 41.0857 179.0727 71 I 3.8416 8.1632 119.3160 64.1859 36.9807 177.3367 72 Y 4.5263 7.8757 118.6887 57.3825 39.7497 175.3581 *74 D 4.4983 7.9059 118.5975 53.4639 40.6297 175.6949 75 S 4.1470 8.3797 120.1835 61.3269 62.8718 175.6643 76 D 4.7232 7.8785 120.6564 57.6359 41.0747 178.5538 77 Y 4.3905 9.1709 120.0154 60.5140 39.0878 177.1489 78 R 3.3576 8.8601 120.4476 59.4281 29.8421 178.4112 79 K 3.6009 8.8537 117.1991 59.4904 32.0935 178.7081 80 Q 4.0545 7.6836 118.8981 57.9037 29.0519 176.7439 81 W 4.5668 7.3668 113.4932 56.0466 30.0206 175.3926 82 D 4.3723 7.1913 120.0007 52.3656 38.9898 176.1174 83 Q 3.8274 8.3659 127.1443 58.3705 29.3940 177.4477 84 Y 4.4645 8.7870 114.2702 57.7742 38.3074 174.6165 85 V 4.3530 7.9836 121.9745 61.8824 31.5901 175.5976 86 K 4.2420 8.7426 130.0005 58.7464 32.7051 176.4632 87 E 4.8366 7.7828 119.3181 54.6998 33.6524 173.3812 88 L 4.7891 8.3428 123.5407 54.5507 45.1080 173.1251 89 Y 4.8759 8.3847 122.3344 56.3985 41.4766 173.0426 90 E 5.4031 8.9625 120.1128 55.0678 32.8034 175.1588 91 Q 4.7270 8.6702 118.3598 55.1452 32.5605 173.0751 92 E 4.8392 8.7440 120.6935 55.5546 30.9761 175.3926 93 C 4.6673 8.7758 124.3600 58.3019 34.4771 172.8125 94 N 4.2490 8.5764 126.4655 54.9815 35.9844 176.6294 95 G 3.9301 8.8029 114.5252 46.6757 0.0000 172.6179 96 E 4.6236 7.6770 120.0541 54.8065 31.3654 175.2792 97 T 4.6782 8.3123 117.9062 63.1712 69.6358 173.7885 98 V 4.5109 8.8159 127.9687 61.2655 33.7624 174.6310 99 V 4.5727 8.6874 127.8380 61.1053 34.2226 173.3884 100 Y 5.0276 8.2264 128.0972 55.5123 41.4406 174.1078 101 W 5.2701 8.2977 135.0000 55.6466 35.0224 172.7989 102 E 5.0826 9.5238 127.9986 54.4206 32.2064 174.3451 103 V 5.0249 9.2989 127.6369 60.9907 33.9477 174.7125 104 K 4.7509 9.1115 128.3881 56.9377 32.2924 175.9723 105 Y 4.5116 8.7056 122.9543 55.0691 40.2667 174.4801 106 P 4.3149 0.0000 0.0000 62.6467 32.0680 176.1762 107 F 4.2797 8.7100 124.9755 57.4138 40.2028 174.5677 108 P 2.9700 0.0000 0.0000 61.9939 28.4362 175.5496 *110 S 4.1911 7.6822 115.2551 57.7875 64.6738 174.2503 111 N 4.8711 8.3863 120.3777 53.5868 40.0074 173.5123 112 R 4.9782 8.6678 116.6555 54.8064 34.5226 174.6192 113 D 5.5114 9.0588 121.7136 51.8697 43.0746 174.0813 114 Y 5.1175 9.4728 117.9022 56.2322 42.2294 174.6752 115 V 5.0836 8.4361 121.8839 61.4577 34.5964 173.7355 116 Y 5.3987 8.7197 124.5448 56.3955 42.0395 173.3136 117 L 4.9842 9.7199 122.0713 53.8125 43.1712 175.6882 118 R 5.4605 8.4296 123.9777 54.8437 32.6092 175.0306 119 Q 4.7835 9.2097 126.2704 55.1183 32.8905 172.9940 120 R 5.4218 8.8734 126.2440 55.0337 33.3029 175.1447 121 R 4.5574 9.1925 122.6459 55.0258 34.9342 173.7115 122 D 4.7880 8.6452 124.2009 53.2773 41.9605 176.0283 123 L 4.2994 8.0129 123.8739 53.7147 43.8987 175.9918 124 D 4.9480 8.3526 121.2032 52.3885 43.9472 176.2668 *126 E 4.3371 8.3740 116.8894 56.5910 30.7342 176.1631 127 G 3.9830 8.3004 102.4963 46.8920 0.0000 174.4925 128 R 4.5272 7.9529 117.2645 53.6554 32.9714 175.4886 129 K 4.8965 8.5781 122.6621 55.7043 32.6821 176.9931 130 I 4.5548 7.9580 126.2460 58.0437 39.2714 173.2802 131 H 4.4909 8.5508 123.4076 55.9598 29.9022 174.2550 132 V 4.8531 8.5646 124.0285 61.0236 34.3784 174.3930 133 I 5.1585 8.5149 127.5027 59.5013 41.0537 174.4020 134 L 4.9989 8.9756 124.8393 52.7290 45.4947 175.4116 135 A 5.2499 8.5059 122.7661 50.3777 22.3826 175.1238 136 R 4.9756 9.5602 122.6175 54.4646 33.9965 174.2413 137 S 5.0985 8.5875 120.3691 58.9567 63.3519 172.9287 138 T 4.8079 8.4879 119.5765 61.5047 70.7614 171.1049 139 S 4.4673 8.0688 114.4608 57.0171 64.6021 170.7511 *141 P 4.4891 0.0000 0.0000 63.4216 32.7379 178.7565 142 Q 4.0075 8.0768 113.9094 57.4651 29.3757 176.1231 143 L 4.6637 7.0259 119.7907 53.3555 41.4979 174.9364 144 G 3.9052 7.5975 109.9755 44.5552 0.0000 171.0062 145 E 4.2490 8.4780 118.5959 56.4154 29.7871 176.6402 146 R 4.7369 8.2076 118.2002 54.4962 33.1495 175.4211 147 S 4.6278 8.4442 116.6002 59.0229 63.9988 172.8953 148 G 4.1735 9.2095 112.7131 45.0278 0.0000 173.6310 149 V 4.2655 6.6950 115.6845 61.0390 33.1616 175.7853 150 I 4.0061 8.0566 128.7676 60.3761 38.0743 175.2998 151 R 5.1324 8.3974 128.8421 55.2932 30.3975 176.1549 152 V 3.5782 7.8806 128.3469 62.7702 31.1587 176.0124 153 K 4.2868 8.7220 127.1853 56.7243 33.0958 176.3126 154 Q 4.7124 7.5101 118.3839 54.5283 31.6169 173.8985 155 Y 5.1281 8.3510 122.8037 56.6633 42.2728 173.0116 156 K 4.6477 8.3961 123.1226 56.8431 36.4025 174.1067 157 Q 5.1121 8.0709 123.3968 54.6540 33.0818 173.0020 158 S 4.9602 8.3036 116.1958 56.8239 66.2616 172.9674 159 L 4.7698 8.7521 123.8870 53.0901 45.4052 174.6717 160 A 5.1668 9.4118 128.1482 50.3013 21.1494 175.1312 161 I 4.7349 8.6349 123.5698 59.9644 40.6262 174.4215 162 E 4.7290 8.1286 122.5994 55.5392 33.5767 175.1927 163 S 4.6961 8.8942 119.1390 58.1664 63.3653 173.3730 164 D 4.7624 8.8842 122.1987 52.9332 39.7922 175.4803 165 G 4.4183 8.7422 111.0103 46.0505 0.0000 174.6865 166 K 4.7557 7.3086 121.7235 55.8027 30.3682 178.7325 167 K 4.2244 8.9587 128.5363 58.8478 33.1074 176.8091 168 G 4.5888 7.9698 111.3518 44.3606 0.0000 172.6732 169 S 4.8468 8.2110 115.5744 56.9669 66.5330 173.7202 170 K 4.8536 9.1368 125.1945 55.9357 33.6618 175.7854 171 V 4.8993 8.8245 118.8800 59.9857 36.6524 173.7349 172 F 5.9158 8.9141 124.2267 55.5271 44.0195 172.4882 *174 Y 4.7437 8.1692 120.5261 57.5804 40.0072 172.9364 175 Y 4.7287 7.7577 126.0797 55.9277 43.2516 173.4790 176 F 5.0108 6.8989 122.2484 57.7060 43.5710 172.2386 177 D 4.1649 7.5027 122.9772 52.5427 41.9517 174.5580 178 N 4.6218 8.2974 119.6900 51.2397 39.7869 173.0327 179 P 4.1150 0.0000 0.0000 62.9962 31.4842 177.8282 180 G 3.8012 8.3365 106.1430 45.5131 0.0000 173.4005 181 G 3.9219 7.0343 104.7870 44.6554 0.0000 173.6413 182 Q 4.1085 8.5753 119.2710 55.2681 29.2710 176.1411 183 I 4.0857 8.1614 124.2770 59.1967 37.6078 174.0515 184 P 4.3348 0.0000 0.0000 62.1634 31.8451 178.0106 185 S 4.1490 8.7154 117.5741 61.0200 62.7057 176.8832 186 W 4.2384 8.0618 120.4669 59.3523 27.9800 177.8725 187 L 3.2001 6.4325 121.1241 57.5875 41.1630 179.0696 188 I 3.5410 7.2784 119.1345 64.4127 37.1153 177.5869 189 N 4.1166 8.3995 118.2040 56.4604 38.5314 176.7319 190 W 3.9899 8.9588 129.6988 60.2773 30.9128 177.5847 191 A 3.4441 8.8058 120.9232 55.2249 17.5161 179.3019 192 A 3.7764 8.4485 118.4648 55.3821 18.6556 179.8591 193 K 4.0735 8.3604 115.8460 58.3648 32.5420 177.3290 194 N 4.6173 7.3834 115.4887 54.3684 41.7931 175.7520 195 G 2.1990 6.2780 102.5930 48.0007 0.0000 175.4783 196 V 3.4551 8.2415 119.1292 64.8893 32.0501 176.9081 197 P 4.1549 0.0000 0.0000 65.8020 31.1514 178.0927 198 N 4.3601 8.0363 114.7990 56.2931 38.2447 176.8890 199 F 4.5856 7.8968 120.7684 61.7518 39.5357 176.7059 200 L 3.9524 8.3783 117.9097 57.7082 41.6902 179.5483 201 K 4.0746 8.0147 119.3578 59.4321 32.2615 180.6097 202 D 4.1670 8.8235 119.5705 54.2412 41.0080 178.6809 *204 A 4.0441 7.9808 123.0472 52.2591 20.5685 179.7015 205 R 3.7710 7.7583 115.2308 59.7572 29.7373 178.4859 206 A 3.7159 7.3120 119.0332 54.7692 18.2234 179.2466 207 C 3.9814 7.9485 115.9815 62.9274 28.2483 175.7724 208 Q 3.9652 8.0115 119.3538 58.7454 28.3971 177.3140 209 N 4.9098 7.4422 115.4706 53.0670 39.2556 174.2491 210 Y 4.1752 8.1197 128.0217 57.8903 38.8732 175.0790 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 8 F 8.31 5.19 0.00 3.37 2.87 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 9 S 10.77 4.86 0.00 4.11 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 10 E 10.05 4.14 0.00 2.19 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 2.51 2.40 0.00 11 E 7.56 3.65 0.00 2.16 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 0.00 2.47 2.49 0.00 12 Q 8.24 4.61 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 13 F 7.64 3.89 0.00 3.08 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 14 W 8.17 4.35 0.00 3.49 3.25 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 0.00 15 E 8.33 3.99 0.00 2.31 2.03 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 2.37 2.54 0.00 16 A 7.81 4.22 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 17 C 8.47 4.31 0.00 3.20 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 18 A 7.90 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.47 4.44 0.00 1.16 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 1.99 1.85 0.00 20 L 7.18 4.10 0.00 1.72 1.99 1.05 0.84 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 21 Q 7.51 4.20 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.38 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 22 Q 7.80 4.36 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 7.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 23 P 0.00 4.51 0.00 1.62 1.00 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 24 A 8.48 4.21 1.20 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 0.00 0.00 0.00 0.00 0.00 25 L 7.95 4.33 0.00 1.36 1.55 -0.20 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.90 4.06 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 27 G 6.14 3.40 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 0.00 28 A 7.59 4.92 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 29 D 8.32 4.71 0.00 2.64 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 30 W 7.87 4.62 0.00 3.36 3.50 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 31 Q 8.95 4.76 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 32 L 8.51 3.76 0.00 1.39 1.48 0.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.70 4.51 0.00 1.78 1.86 0.91 1.00 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 34 V 7.32 4.45 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 0.89 0.00 0.00 0.86 0.00 0.00 35 E 8.47 5.20 0.00 1.83 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 2.32 0.00 36 T 9.90 4.41 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 1.20 0.00 0.00 37 S 10.04 3.73 0.00 4.05 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 38 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 39 I 8.55 5.17 2.08 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 1.35 0.85 1.01 0.00 0.00 40 S 9.31 5.85 0.00 4.09 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 41 I 8.30 5.01 1.89 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 1.29 0.88 1.08 0.00 0.00 42 Y 9.97 5.79 0.00 3.29 3.61 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 43 R 8.86 5.34 0.00 1.55 1.98 0.00 2.52 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 44 L 8.13 4.00 0.00 0.27 0.60 0.16 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.80 3.96 0.00 0.32 1.15 0.44 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.19 4.30 0.00 2.75 2.45 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 47 K 8.65 4.06 0.00 1.71 1.81 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.49 7.81 48 K 8.20 4.12 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.38 7.81 49 T 8.39 4.06 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 1.30 0.00 0.00 50 G 8.72 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 0.00 0.00 0.00 51 L 7.68 4.60 0.00 1.79 1.86 1.13 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.60 4.89 0.00 2.70 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 0.00 0.00 0.00 0.00 53 E 8.65 4.91 0.00 2.00 1.50 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 2.86 2.60 0.00 54 Y 9.20 5.73 0.00 3.07 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 55 K 9.67 4.84 0.00 1.31 1.34 0.00 0.61 0.00 0.00 0.78 0.00 0.00 3.08 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.26 1.44 7.81 56 V 7.77 4.99 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 0.96 0.00 0.00 0.87 0.00 0.00 57 F 9.29 6.04 0.00 3.08 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 58 G 7.83 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.91 4.87 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 0.99 0.00 0.00 0.97 0.00 0.00 60 L 8.77 4.70 0.00 1.59 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3.37 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 121 R 9.19 4.56 0.00 1.27 1.30 0.00 2.54 0.00 0.00 2.82 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 122 D 8.65 4.79 0.00 2.49 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 0.00 123 L 8.01 4.30 0.00 1.22 0.84 -0.28 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.35 4.95 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.34 0.00 2.01 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 2.23 2.40 0.00 127 G 8.30 3.98 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 0.00 0.00 0.00 128 R 7.95 4.53 0.00 1.79 1.83 0.00 3.23 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 129 K 8.58 4.90 0.00 1.61 1.60 0.00 1.85 0.00 0.00 2.33 0.00 0.00 2.66 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.23 7.81 130 I 7.96 4.55 1.75 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 1.46 1.58 0.93 0.00 0.00 131 H 8.55 4.49 0.00 3.04 3.25 0.00 5.55 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.56 4.85 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 1.04 0.00 0.00 0.90 0.00 0.00 133 I 8.51 5.16 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 1.08 0.00 0.00 134 L 8.98 5.00 0.00 0.27 0.34 -0.51 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.51 5.25 1.01 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 0.00 136 R 9.56 4.98 0.00 2.26 1.95 0.00 3.15 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 1.57 1.63 0.00 137 S 8.59 5.10 0.00 4.39 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 0.00 138 T 8.49 4.81 4.30 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 0.00 0.00 0.00 1.28 0.00 0.00 139 S 8.07 4.47 0.00 3.98 3.84 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 *141 P 0.00 4.49 0.00 2.24 2.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 142 Q 8.08 4.01 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.36 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 143 L 7.03 4.66 0.00 1.77 1.59 0.94 1.01 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 0.00 144 G 7.60 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 0.00 145 E 8.48 4.25 0.00 1.98 1.92 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 2.32 2.35 0.00 146 R 8.21 4.74 0.00 1.89 1.83 0.00 3.18 0.00 0.00 3.67 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 147 S 8.44 4.63 0.00 3.87 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 0.00 148 G 9.21 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 0.00 0.00 0.00 0.00 149 V 6.69 4.27 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 0.89 0.00 0.00 1.03 0.00 0.00 150 I 8.06 4.01 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.45 0.81 0.00 0.00 151 R 8.40 5.13 0.00 1.81 1.98 0.00 3.15 0.00 0.00 4.01 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.49 0.00 152 V 7.88 3.58 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 0.57 0.00 0.00 0.09 0.00 0.00 153 K 8.72 4.29 0.00 1.77 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.60 7.81 154 Q 7.51 4.71 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 155 Y 8.35 5.13 0.00 2.95 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 0.00 156 K 8.40 4.65 0.00 1.67 1.73 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.41 7.81 157 Q 8.07 5.11 0.00 1.77 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 158 S 8.30 4.96 0.00 3.74 3.71 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 0.00 159 L 8.75 4.77 0.00 1.42 1.12 0.13 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 160 A 9.41 5.17 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 0.00 161 I 8.63 4.73 1.97 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 1.03 1.19 0.96 0.00 0.00 162 E 8.13 4.73 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 2.14 2.17 0.00 163 S 8.89 4.70 0.00 3.94 3.76 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 0.00 164 D 8.88 4.76 0.00 2.82 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 0.00 165 G 8.74 4.42 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 0.00 166 K 7.31 4.76 0.00 1.90 0.98 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.37 7.81 167 K 8.96 4.22 0.00 1.71 1.81 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.42 7.81 168 G 7.97 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 S 8.21 4.85 0.00 3.94 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 0.00 170 K 9.14 4.85 0.00 1.87 1.74 0.00 1.61 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 171 V 8.82 4.90 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 0.63 0.00 0.00 0.94 0.00 0.00 172 F 8.91 5.92 0.00 3.08 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 *174 Y 8.17 4.74 0.00 3.10 2.80 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 0.00 175 Y 7.76 4.73 0.00 2.95 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 F 6.90 5.01 0.00 3.08 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 D 7.50 4.16 0.00 2.76 2.52 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 0.00 178 N 8.30 4.62 0.00 2.68 2.69 0.00 0.00 7.17 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 0.00 179 P 0.00 4.11 0.00 2.34 2.04 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 180 G 8.34 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 0.00 0.00 0.00 181 G 7.03 3.92 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 0.00 182 Q 8.58 4.11 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 183 I 8.16 4.09 1.80 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 1.42 0.78 0.76 0.00 0.00 184 P 0.00 4.33 0.00 1.36 2.07 0.00 3.23 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 185 S 8.72 4.15 0.00 4.06 4.13 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 0.00 186 W 8.06 4.24 0.00 3.60 3.37 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 0.00 187 L 6.43 3.20 0.00 0.27 1.21 0.30 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 188 I 7.28 3.54 1.95 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.81 0.00 0.00 189 N 8.40 4.12 0.00 2.97 3.19 0.00 0.00 6.92 8.03 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 0.00 190 W 8.96 3.99 0.00 3.66 3.47 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 0.00 191 A 8.81 3.44 1.27 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 0.00 0.00 0.00 192 A 8.45 3.78 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 0.00 193 K 8.36 4.07 0.00 1.83 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.59 7.81 194 N 7.38 4.62 0.00 2.57 2.29 0.00 0.00 7.08 7.95 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 0.00 195 G 6.28 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 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.24 3.46 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 0.99 0.00 0.00 0.69 0.00 0.00 197 P 0.00 4.15 0.00 2.24 2.05 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 198 N 8.04 4.36 0.00 3.07 2.98 0.00 0.00 6.73 7.88 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 0.00 199 F 7.90 4.59 0.00 3.03 3.30 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 0.00 0.00 0.00 0.00 200 L 8.38 3.95 0.00 1.77 1.74 0.95 1.00 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 0.00 201 K 8.01 4.07 0.00 1.93 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 202 D 8.82 4.17 0.00 2.83 2.81 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 *204 A 7.98 4.04 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 0.00 205 R 7.76 3.77 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 206 A 7.31 3.72 0.05 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 0.00 0.00 207 C 7.95 3.98 0.00 3.03 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 0.00 208 Q 8.01 3.97 0.00 2.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.42 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 209 N 7.44 4.91 0.00 2.71 2.86 0.00 0.00 6.96 7.77 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 0.00 210 Y 8.12 4.18 0.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.