NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.4248 8.1233 123.5948 51.9824 20.5321 178.5596 6 D 4.2424 8.0771 120.9604 57.4915 40.7687 177.3503 7 F 4.3109 8.3043 118.4911 59.9797 39.4912 176.9165 8 D 4.3972 8.2126 116.3303 57.1637 41.3806 177.7529 9 A 4.1524 7.7938 121.1330 55.1621 18.5274 179.8191 10 V 3.6127 7.4832 115.6616 66.1777 31.2208 178.2794 11 L 4.2344 8.1315 118.4781 57.4085 41.0231 179.6615 12 K 4.1048 7.9073 118.6171 59.3906 31.8559 178.4996 13 C 4.2312 7.7897 114.0949 60.8782 28.5539 175.1977 14 W 4.4408 8.1375 130.4803 59.5364 30.2820 177.8755 15 G 3.9276 7.6359 106.2082 47.7534 0.0000 173.7880 16 P 4.1723 0.0000 0.0000 64.6881 31.4598 178.7510 17 V 3.3606 6.9893 116.5980 65.6895 31.3954 177.5850 18 E 2.5400 7.2139 116.7066 57.9933 29.3970 178.1504 19 A 4.1242 7.4208 119.9109 54.1967 19.7267 177.4396 20 D 4.5278 7.5214 115.3476 52.4986 43.1524 175.0641 21 Y 4.3409 7.8595 122.2936 60.6475 38.1489 177.9168 22 T 3.8929 7.9424 116.4044 66.9255 68.7439 176.8463 23 T 3.8163 8.1121 117.6217 66.9261 68.4422 176.7028 24 M 4.1401 8.0648 120.1208 58.1474 32.1644 178.4796 25 G 3.6767 8.4319 106.5949 47.7523 0.0000 175.8028 26 G 3.6858 7.8654 109.9422 46.6853 0.0000 175.7691 27 L 3.8954 7.8166 121.2013 57.4641 41.6159 179.6713 28 V 3.4760 7.8783 118.3181 66.1839 31.4435 178.1487 29 L 3.3835 7.6878 118.5132 57.5347 41.3191 179.6253 30 T 3.7039 7.7595 115.9692 66.6606 68.3320 176.5671 31 R 3.9453 7.7666 120.4821 59.0493 30.0073 178.0269 32 L 3.9570 7.9202 120.4379 58.5484 41.8579 179.2259 33 F 4.6235 8.0564 117.5632 60.4085 38.5494 177.9159 34 K 4.0864 8.0555 117.6410 59.2922 32.1026 178.8299 35 E 4.2205 8.3802 117.7789 57.9819 31.0399 176.9618 36 H 5.1038 8.4194 115.5309 52.4523 29.8094 172.0659 37 P 4.5351 0.0000 0.0000 64.8357 31.3200 178.0506 38 E 4.0786 8.3446 116.1578 59.5330 29.3795 179.1487 39 T 4.1403 8.3227 110.9724 64.4917 68.9722 176.4240 40 Q 3.3009 8.0813 122.7786 58.7552 28.7121 178.2630 41 K 4.0775 7.5269 117.2816 58.8752 32.1235 178.5550 42 L 4.3440 7.7036 117.5577 55.1332 42.4922 177.8283 43 F 4.5274 7.8959 119.1503 54.4333 38.6203 173.6528 44 P 4.1747 0.0000 0.0000 65.4674 31.5552 178.3470 45 K 4.0298 7.7923 116.0747 58.3673 32.2610 177.4837 46 F 5.0300 7.9582 115.6287 57.0608 40.5955 175.4507 47 A 4.0925 7.8402 124.2202 53.4635 18.5362 177.8237 48 G 3.9448 8.8465 110.4963 45.1402 0.0000 173.5651 49 I 3.6777 7.2974 120.8289 60.8297 37.6733 175.4871 *51 A 4.1537 8.3444 127.3509 51.7958 19.7052 177.0083 52 Q 3.9433 8.6855 121.9964 59.2959 28.8770 178.8230 53 A 4.0439 8.0384 120.3238 54.3474 18.5223 178.0334 54 D 4.7025 7.8007 115.1111 54.4661 41.6414 178.3399 55 I 3.8024 7.4731 122.0407 63.2943 37.3049 176.1927 56 A 4.1519 6.8908 121.0213 52.6985 18.6614 177.8598 57 G 3.8765 8.8109 110.2159 45.7449 0.0000 173.8073 58 N 4.3145 8.1179 119.4833 53.4441 39.8621 175.2105 59 A 3.9459 8.6160 129.6876 55.2042 18.7279 179.2367 60 A 4.0230 8.0425 118.8524 55.2512 18.4026 179.7465 61 I 2.8031 7.7874 118.2029 64.5133 37.0833 178.6942 62 S 4.0916 8.0662 115.6555 61.6728 62.7668 176.7918 63 A 4.1089 8.3306 123.6617 55.4920 18.0624 179.2279 64 H 4.3093 8.4629 116.9208 59.1981 29.8847 177.7378 65 G 3.5127 8.4565 107.8360 47.5741 0.0000 175.4979 66 A 4.1623 8.2026 123.1962 55.3217 18.3949 179.8660 67 T 3.7279 7.7370 113.7655 66.6539 68.4299 176.6694 68 V 3.5531 7.8331 120.2437 66.4404 31.5297 178.1427 69 L 4.1531 8.1223 118.4228 57.6285 41.4443 179.7108 70 K 3.1878 7.8580 118.8596 59.0739 31.9344 179.3223 71 K 3.9196 7.9549 119.8822 59.2647 32.0827 178.4846 72 L 3.9763 8.2685 121.0573 58.0898 41.9592 178.9817 73 G 3.5425 8.6957 105.9003 48.0870 0.0000 175.3352 74 E 3.9947 7.9059 119.8394 58.9169 29.5936 179.2714 75 L 4.1068 7.8308 118.9274 57.8337 41.7545 179.5498 76 L 4.1135 8.0279 119.2639 57.8446 41.2945 179.8153 77 K 4.0482 7.9509 116.8565 58.8695 32.1670 178.8789 78 A 3.9622 7.8831 120.7817 52.3719 18.6775 177.1605 79 K 2.4800 8.6271 116.3306 56.9906 30.0812 176.0986 80 G 3.6440 7.3382 104.8093 45.4208 0.0000 174.0644 81 S 4.5105 7.4383 117.3112 57.8138 61.9537 174.4549 82 H 4.7376 7.2662 114.3573 55.1763 29.3781 175.9718 83 A 3.9785 7.9936 124.7350 55.9540 17.8980 179.7594 84 A 3.9967 7.9512 116.4334 54.6491 18.4613 179.0146 85 I 4.0293 7.6075 117.8990 63.4566 37.6561 177.8516 86 L 3.9415 8.0724 121.3465 57.7128 42.0132 178.6279 87 K 3.8634 8.1429 119.6542 59.3258 32.1711 176.8752 88 P 4.4272 0.0000 0.0000 65.4875 31.1592 178.3603 89 L 4.0487 7.4716 118.9863 58.0231 41.9690 178.8451 90 A 4.1791 8.3705 121.1258 55.0260 18.2772 179.3115 91 N 4.1907 8.6845 115.7260 56.5676 38.6485 177.8154 92 S 4.0257 8.1460 115.5117 61.8658 63.1420 176.2100 93 H 4.1711 8.6357 119.6988 57.9890 28.0090 177.7350 94 A 2.5800 7.9455 123.1066 54.3826 18.1201 179.3102 95 T 3.9202 7.4172 106.0926 62.8294 69.6137 176.0317 96 K 4.1624 7.5407 119.1732 58.2075 33.1027 177.2094 97 H 4.4198 7.8998 113.6709 55.5038 29.7303 175.3246 98 K 3.7193 7.5300 116.8232 56.0759 29.0512 175.6344 99 I 4.3750 7.9139 118.4295 59.1214 38.5603 175.1594 100 P 4.8663 0.0000 0.0000 62.3393 32.2085 177.4929 101 I 3.8651 8.8533 122.7171 64.8766 36.9487 177.9850 102 N 4.3425 8.3938 117.1869 57.0377 38.6151 176.4150 103 N 4.3996 8.2648 117.5166 56.1066 38.5620 177.3639 104 F 4.1246 8.2665 119.5158 60.2946 39.0504 177.8372 105 K 4.0902 8.0174 117.9391 59.2305 31.8644 179.4681 106 L 3.9393 7.7154 118.9123 57.9016 41.6169 179.2340 107 I 3.8339 7.8414 118.4516 63.8461 37.8567 177.9729 108 S 4.1511 8.0961 116.3412 61.6291 62.6566 176.2610 109 E 3.9921 8.1976 121.7038 58.9517 29.2861 179.0326 110 V 3.5674 7.7199 118.0374 65.8135 31.6000 177.6725 111 L 3.9451 8.1863 120.3849 58.1491 41.9247 179.1034 112 V 3.6055 7.9539 118.0301 66.0243 31.6228 178.0299 113 K 3.9635 7.9653 118.1400 59.6136 31.8340 179.5428 114 V 3.6040 8.0572 118.5559 66.2938 31.3953 178.0501 115 M 4.0326 8.3166 118.6293 58.4920 31.5269 178.1964 116 H 4.6396 8.0748 119.1022 58.7652 30.1055 176.7129 117 E 4.1809 8.0020 118.8591 57.7329 29.6574 177.4390 118 K 4.4603 8.3521 115.3245 55.8331 34.3846 176.5613 119 A 4.5238 7.9841 120.2143 51.5559 19.4197 176.6123 120 G 3.7535 8.4129 104.5089 46.8930 0.0000 174.0525 121 L 4.0772 7.6581 122.2008 54.5770 41.9786 176.0966 122 D 4.8774 8.3041 128.3669 52.5328 42.2385 175.9053 *125 A 4.2125 8.6295 119.6012 52.8382 20.7491 179.4189 126 G 3.7090 8.2681 102.1164 48.0149 0.0000 175.9586 127 G 3.6662 8.5848 108.7028 47.3434 0.0000 175.7040 128 Q 4.0125 8.3176 120.5625 59.1235 28.8097 178.9746 129 T 3.8143 7.8196 116.2920 66.7015 68.4472 176.3935 130 A 4.1842 7.7735 123.4503 54.5118 18.3244 179.4683 131 L 3.7947 8.2272 119.1461 58.4121 42.2162 179.2452 132 R 3.8987 8.1855 118.1945 59.3450 29.8171 178.8917 133 N 4.2566 8.1343 116.1235 56.2269 38.5900 177.5433 134 V 3.2049 7.7057 119.7595 66.2857 31.4995 177.9261 135 M 4.1316 8.3020 118.7746 58.3464 31.7717 178.9745 136 G 3.6666 8.1303 105.8925 47.6869 0.0000 175.8838 137 I 3.7262 7.4850 122.0833 64.3486 37.1533 178.4325 138 I 3.6364 7.6959 120.8114 64.4967 36.8848 178.6420 139 I 3.5581 8.2046 113.9942 63.6789 37.4535 178.0897 140 A 3.9359 8.0504 122.6485 55.0998 18.1811 179.3865 141 D 4.3059 8.1078 117.4296 57.3708 40.8249 178.9267 142 L 3.8295 8.0088 119.9460 57.5303 41.5305 179.0257 143 E 3.7566 8.2929 119.3477 59.2254 29.5746 178.7189 144 A 4.0199 7.8834 120.5483 55.4295 18.3419 179.3734 145 N 4.3527 8.3126 114.9108 56.7293 38.6162 177.2592 146 Y 4.0898 8.5706 118.4385 60.9236 37.9381 178.7945 147 K 4.0321 8.2277 119.4708 59.6352 32.0310 179.0518 148 E 4.0539 8.0567 117.7643 58.6641 29.6097 178.0341 149 L 4.3202 7.5628 117.6845 54.5079 42.1265 176.7187 150 G 3.7959 8.0116 106.6751 46.9252 0.0000 173.8372 151 F 4.6811 8.2023 118.3512 57.1943 39.3970 175.1468 152 S 3.9816 7.6725 115.6720 57.2574 61.0963 169.9222 *153 G 3.7508 8.3986 109.1002 46.7084 0.0000 172.7177 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 5 A 8.12 4.42 1.35 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 0.00 0.00 6 D 8.08 4.24 0.00 2.73 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 7 F 8.30 4.31 0.00 3.04 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 8 D 8.21 4.40 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.79 4.15 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 10 V 7.48 3.61 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 1.01 0.00 0.00 0.87 0.00 0.00 11 L 8.13 4.23 0.00 1.81 1.78 1.05 0.77 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 12 K 7.91 4.10 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.76 1.65 7.81 13 C 7.79 4.23 0.00 3.21 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 14 W 8.14 4.44 0.00 3.64 3.26 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 15 G 7.64 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.17 0.00 1.91 2.05 0.00 3.71 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 17 V 6.99 3.36 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 0.00 0.00 0.39 0.00 0.00 0.44 0.00 0.00 18 E 7.21 2.54 0.00 1.76 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 2.12 1.91 0.00 19 A 7.42 4.12 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 20 D 7.52 4.53 0.00 2.54 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 21 Y 7.86 4.34 0.00 3.05 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 22 T 7.94 3.89 4.37 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 1.21 0.00 0.00 23 T 8.11 3.82 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 1.17 0.00 0.00 24 M 8.06 4.14 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 25 G 8.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.87 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 0.00 0.00 0.00 27 L 7.82 3.90 0.00 1.92 1.66 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.88 3.48 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 1.08 0.00 0.00 0.94 0.00 0.00 29 L 7.69 3.38 0.00 1.56 0.99 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.76 3.70 4.28 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 1.17 0.00 0.00 31 R 7.77 3.95 0.00 1.90 1.87 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 32 L 7.92 3.96 0.00 1.67 1.42 1.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.06 4.62 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.06 4.09 0.00 1.75 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.73 7.81 35 E 8.38 4.22 0.00 1.95 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 2.29 2.44 0.00 36 H 8.42 5.10 0.00 3.35 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.54 0.00 2.18 2.15 0.00 3.93 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 2.14 2.05 0.00 38 E 8.34 4.08 0.00 2.19 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 0.00 2.42 2.36 0.00 39 T 8.32 4.14 4.52 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 1.35 0.00 0.00 40 Q 8.08 3.30 0.00 1.61 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 1.98 1.16 0.00 41 K 7.53 4.08 0.00 1.95 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 42 L 7.70 4.34 0.00 1.62 1.49 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.90 4.53 0.00 3.25 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 44 P 0.00 4.17 0.00 1.96 2.10 0.00 3.56 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 1.97 2.09 0.00 45 K 7.79 4.03 0.00 1.05 1.47 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.31 7.81 46 F 7.96 5.03 0.00 2.88 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 47 A 7.84 4.09 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 48 G 8.85 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.30 3.68 1.96 0.00 0.00 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 1.27 0.63 0.96 0.00 0.00 *51 A 8.34 4.15 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 52 Q 8.69 3.94 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 53 A 8.04 4.04 1.30 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 0.00 0.00 54 D 7.80 4.70 0.00 2.76 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 55 I 7.47 3.80 1.90 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 1.51 0.76 0.98 0.00 0.00 56 A 6.89 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.81 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 58 N 8.12 4.31 0.00 2.97 2.64 0.00 0.00 7.02 7.42 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 59 A 8.62 3.95 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 60 A 8.04 4.02 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 61 I 7.79 2.80 1.56 0.00 0.00 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 -0.13 -0.02 0.55 0.00 0.00 62 S 8.07 4.09 0.00 3.82 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 63 A 8.33 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.46 4.31 0.00 3.66 3.56 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.46 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.20 4.16 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 0.00 0.00 0.00 0.00 0.00 67 T 7.74 3.73 4.33 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 0.00 0.00 1.22 0.00 0.00 68 V 7.83 3.55 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 1.17 0.00 0.00 0.96 0.00 0.00 69 L 8.12 4.15 0.00 1.62 1.86 0.95 1.10 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 70 K 7.86 3.19 0.00 1.69 1.69 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.24 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.42 1.24 7.81 71 K 7.95 3.92 0.00 1.88 1.94 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.49 7.81 72 L 8.27 3.98 0.00 1.85 1.96 0.87 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.70 3.54 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 0.00 74 E 7.91 3.99 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 75 L 7.83 4.11 0.00 1.99 1.69 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.03 4.11 0.00 1.30 1.48 -0.28 0.53 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 77 K 7.95 4.05 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.54 7.81 78 A 7.88 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 79 K 8.63 2.48 0.00 1.57 1.44 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.36 7.81 80 G 7.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.44 4.51 0.00 3.73 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.27 4.74 0.00 3.31 3.46 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.99 3.98 1.33 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 0.00 0.00 0.00 0.00 0.00 84 A 7.95 4.00 1.30 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 0.00 0.00 85 I 7.61 4.03 1.97 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 1.52 0.86 0.90 0.00 0.00 86 L 8.07 3.94 0.00 1.80 1.66 0.79 0.55 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 87 K 8.14 3.86 0.00 1.95 1.88 0.00 1.60 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.54 7.81 88 P 0.00 4.43 0.00 2.21 2.10 0.00 3.65 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 2.20 2.15 0.00 89 L 7.47 4.05 0.00 1.67 1.82 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.37 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 N 8.68 4.19 0.00 2.90 2.84 0.00 0.00 6.74 7.61 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 92 S 8.15 4.03 0.00 3.99 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 93 H 8.64 4.17 0.00 3.65 3.81 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.95 2.58 0.32 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 95 T 7.42 3.92 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 1.09 0.00 0.00 96 K 7.54 4.16 0.00 1.41 1.72 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.28 7.81 97 H 7.90 4.42 0.00 2.99 3.13 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.53 3.72 0.00 1.90 2.01 0.00 1.79 0.00 0.00 0.85 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.33 7.81 99 I 7.91 4.38 2.11 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.74 0.76 0.00 0.00 100 P 0.00 4.87 0.00 2.28 2.07 0.00 3.94 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 101 I 8.85 3.87 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 1.10 0.76 0.88 0.00 0.00 102 N 8.39 4.34 0.00 2.87 2.87 0.00 0.00 7.23 6.71 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 0.00 103 N 8.26 4.40 0.00 2.82 2.73 0.00 0.00 6.96 8.09 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 0.00 104 F 8.27 4.12 0.00 3.23 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 0.00 105 K 8.02 4.09 0.00 1.99 1.88 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.54 7.81 106 L 7.72 3.94 0.00 1.78 1.59 0.84 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.84 3.83 1.88 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 1.55 1.61 0.98 0.00 0.00 108 S 8.10 4.15 0.00 4.14 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.20 3.99 0.00 2.10 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 0.00 2.34 2.34 0.00 110 V 7.72 3.57 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 1.04 0.00 0.00 0.98 0.00 0.00 111 L 8.19 3.95 0.00 2.01 1.88 1.12 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 V 7.95 3.61 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 0.99 0.00 0.00 1.01 0.00 0.00 113 K 7.97 3.96 0.00 2.10 1.86 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.51 7.81 114 V 8.06 3.60 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 1.08 0.00 0.00 0.95 0.00 0.00 115 M 8.32 4.03 0.00 2.13 2.21 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 2.73 2.50 0.00 116 H 8.07 4.64 0.00 3.19 3.53 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.00 4.18 0.00 2.00 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 2.32 2.48 0.00 118 K 8.35 4.46 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.44 7.81 119 A 7.98 4.52 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 G 8.41 3.75 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 0.00 0.00 0.00 121 L 7.66 4.08 0.00 1.77 1.71 0.98 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.30 4.88 0.00 2.98 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 *125 A 8.63 4.21 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 0.00 126 G 8.27 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 0.00 0.00 0.00 127 G 8.58 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 0.00 128 Q 8.32 4.01 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 129 T 7.82 3.81 4.43 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 0.00 0.00 1.19 0.00 0.00 130 A 7.77 4.18 1.35 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 0.00 0.00 131 L 8.23 3.79 0.00 1.83 1.68 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.19 3.90 0.00 1.99 1.96 0.00 3.17 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 133 N 8.13 4.26 0.00 2.94 2.79 0.00 0.00 6.62 7.36 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 0.00 134 V 7.71 3.20 1.75 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 0.66 0.00 0.00 -0.00 0.00 0.00 135 M 8.30 4.13 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 136 G 8.13 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 0.00 137 I 7.48 3.73 2.09 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 1.55 1.07 1.07 0.00 0.00 138 I 7.70 3.64 1.95 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 1.42 0.86 0.80 0.00 0.00 139 I 8.20 3.56 1.77 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 1.44 0.93 0.97 0.00 0.00 140 A 8.05 3.94 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 0.00 141 D 8.11 4.31 0.00 2.94 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 8.01 3.83 0.00 1.50 1.13 -0.36 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.29 3.76 0.00 2.15 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 2.31 2.26 0.00 144 A 7.88 4.02 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 0.00 145 N 8.31 4.35 0.00 2.97 2.94 0.00 0.00 7.09 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 8.57 4.09 0.00 3.32 3.11 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 0.00 147 K 8.23 4.03 0.00 2.09 1.90 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 148 E 8.06 4.05 0.00 2.30 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 2.34 2.37 0.00 149 L 7.56 4.32 0.00 1.87 1.74 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.01 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 0.00 151 F 8.20 4.68 0.00 2.79 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 0.00 152 S 7.67 3.98 0.00 3.75 4.08 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 *153 G 8.40 3.75 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.