NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3135 8.0327 115.2488 62.1607 69.7336 175.7278 3 E 3.7295 8.2256 121.5581 59.0983 29.6692 177.2023 4 N 4.7257 8.4490 116.0411 55.9310 39.1012 176.6887 5 L 4.0074 7.9580 121.8260 57.9684 42.0507 177.8606 6 Y 3.9251 8.1434 119.0630 60.9347 38.7956 177.9454 7 F 4.3283 7.9138 117.1180 60.5382 39.3337 177.0286 8 Q 4.4404 8.5284 119.4207 59.1397 28.7973 179.5758 9 G 3.7198 8.2479 104.3310 45.4693 0.0000 175.3249 *11 S 4.4404 8.0693 119.1296 58.3252 65.1216 176.0511 12 D 4.3602 8.2297 120.1105 57.3388 40.3700 179.0845 13 V 3.5409 7.8757 118.6509 65.8919 31.6695 178.0221 14 I 3.8286 7.6721 119.0138 64.7601 37.0816 178.2329 15 E 4.1532 8.3476 119.2665 59.0999 29.1973 179.7482 16 G 3.6013 8.3712 106.3218 47.8499 0.0000 176.0397 17 R 4.4529 8.2887 122.2916 58.3760 30.0213 178.9439 18 L 4.0617 7.9074 119.8936 58.0968 42.1216 179.1742 19 K 4.3343 8.1043 119.8365 59.0503 31.8942 179.1532 20 E 4.0325 8.4433 118.7691 59.0374 29.1354 178.6205 21 L 4.4197 7.5232 116.5423 55.0016 42.0467 177.5630 22 G 3.8130 7.9437 107.2598 44.8344 0.0000 173.3936 23 F 4.9359 8.3369 118.6678 55.4848 41.7169 174.4611 24 T 4.7110 8.2615 113.9021 59.4416 70.9073 174.1439 25 L 4.3028 8.3319 124.1503 54.1442 43.3210 174.7850 26 P 4.6768 0.0000 0.0000 61.9935 30.3961 179.3985 *32 A 3.8664 8.6412 123.6854 51.8600 17.5306 175.6688 33 A 4.5880 7.6313 123.2778 51.3723 22.3584 176.2380 34 N 4.6087 8.6725 115.8398 54.7229 38.8957 175.1618 35 Y 4.9120 7.0276 113.0790 54.9447 40.2060 175.3725 36 V 4.3758 7.8974 113.7683 58.5653 34.9730 174.9988 37 P 4.6514 0.0000 0.0000 65.6142 32.0491 175.6620 38 F 5.5139 6.7899 113.3966 56.3126 40.9345 173.4941 39 T 4.9798 9.0774 109.8080 60.1744 72.5773 172.5171 40 I 5.2080 8.4747 122.2831 59.7085 40.7087 175.1086 41 S 4.5222 9.1347 120.8919 57.2264 65.5024 173.3403 42 G 3.7930 8.5064 118.0903 47.3411 0.0000 173.3484 43 N 4.8838 8.7367 120.8465 52.1852 37.6690 173.2797 44 L 5.0511 8.1358 119.6288 53.5930 44.2328 175.0263 45 L 5.0676 9.0915 126.6766 53.6892 44.3053 174.4345 46 Y 4.8201 9.4546 125.2619 56.5725 39.8178 174.7410 47 V 4.9525 8.7238 125.5974 60.9568 33.6173 175.5332 48 S 4.4450 9.1748 124.6695 58.3376 63.7261 174.4427 49 G 4.0430 8.7450 108.7494 46.7506 0.0000 172.5520 50 Q 4.9173 9.3885 124.3832 54.3085 31.5896 175.2691 51 L 5.0288 8.3687 122.3189 52.4224 44.5687 174.1052 52 P 4.3947 0.0000 0.0000 62.4562 33.1439 175.1159 *54 E 4.2387 8.5889 122.1046 57.4342 30.4576 175.6875 55 S 3.5080 9.8097 122.0686 59.7562 60.5737 173.3553 56 G 3.9490 8.5476 105.1389 45.5695 0.0000 173.9896 57 K 4.5625 7.7051 117.5022 53.9278 35.6966 176.2916 58 I 3.9484 8.1888 122.0015 61.2507 36.8316 176.2431 59 A 4.1425 8.9390 130.6091 53.9987 18.9266 177.6765 60 V 4.3924 7.6722 115.4651 61.3646 34.0570 174.1480 61 T 4.9466 8.6141 116.3138 60.4839 71.3596 173.3471 62 G 3.8565 8.8359 108.6249 44.6458 0.0000 172.4058 63 L 4.5558 8.9343 118.9972 53.4507 42.6458 177.2466 64 V 3.7285 8.5479 124.4690 64.1287 31.7462 176.8714 65 G 4.0279 9.0000 115.7575 45.3821 0.0000 172.9675 66 R 4.3959 7.3620 116.5799 57.4240 31.9451 175.4940 67 D 4.6930 8.5019 116.6311 55.2217 42.1268 177.4968 68 V 4.4340 7.2074 110.8167 58.6785 35.7801 174.5525 69 D 4.8867 8.1964 123.0117 51.9591 42.6035 177.6476 70 V 3.5724 8.1782 117.4460 66.1376 31.4106 177.5251 71 A 4.2552 7.8552 121.2514 54.8601 18.3363 179.6050 72 S 4.0739 8.7685 113.7967 61.7338 62.8209 176.8854 73 A 4.0239 8.1562 123.4720 55.0403 17.6427 179.5570 74 Q 4.1161 8.8159 117.1566 59.2664 28.7822 179.1590 75 R 4.3900 8.3440 120.6909 58.8342 30.0187 178.2939 76 A 3.9817 8.0725 120.3145 55.2853 18.3026 179.5215 77 A 3.9087 8.2598 119.3201 55.1602 18.2658 179.6256 78 E 3.7298 8.2894 117.1840 59.5836 29.4965 179.6393 79 L 3.8207 7.9554 118.8689 57.8637 41.5842 179.3004 80 C 4.2181 8.3185 116.6869 62.8611 28.0555 176.0734 81 A 3.8840 8.1450 122.5222 55.0729 17.9421 179.8490 82 V 3.4083 7.8284 117.1246 66.1886 31.5650 178.0808 83 N 4.3655 8.3135 116.3384 56.1510 38.2501 177.3476 84 I 3.6893 7.9471 121.4600 64.5726 37.1991 178.4328 85 L 3.9127 8.0526 119.4222 57.6834 41.3808 179.4581 86 A 4.0017 8.1070 120.7320 55.2108 18.2099 179.7650 87 Q 3.9934 8.1483 116.5619 59.0941 28.8564 179.0665 88 V 3.3098 7.9524 119.5436 65.6507 31.4539 177.8220 89 K 3.7839 8.3269 119.4989 59.4373 32.0258 178.2961 90 A 3.9538 7.8719 120.6482 55.4232 18.1168 179.3573 91 A 3.5344 7.3625 117.6872 54.4616 18.5074 178.8299 92 L 4.4121 7.5876 115.5566 53.5524 42.0825 176.4609 93 N 4.4374 9.1256 114.6135 54.5690 36.5552 175.4417 94 G 3.9237 8.6281 106.0431 45.1633 0.0000 174.2013 95 D 4.7957 7.8112 119.6316 52.1676 41.4817 176.8543 96 L 4.1268 8.2943 125.5285 56.8918 41.9111 179.8284 97 S 4.3159 7.8206 112.5094 60.4705 63.0240 175.1651 98 K 4.1736 8.0003 119.8559 56.6990 31.9735 176.4626 99 I 3.9727 7.3892 121.6487 61.5644 37.2361 176.0258 100 R 4.2693 8.7891 125.7059 58.6712 30.8763 177.3668 101 R 4.7082 7.4625 116.5170 55.1062 33.7911 173.8921 102 V 4.0422 8.6887 127.0433 62.9465 31.9808 176.5435 103 I 3.8995 8.7308 130.3031 63.9346 38.4089 176.3257 104 K 5.0319 7.7005 121.0947 55.1764 35.7772 174.2549 105 L 5.1538 8.8285 126.5395 52.9816 45.1523 175.0474 106 N 4.8879 8.8275 120.6563 51.4716 41.1265 173.9838 107 G 3.8558 8.7889 112.9095 44.5895 0.0000 171.9394 108 F 5.3862 9.1369 126.4178 55.6768 41.4105 175.2220 109 V 4.8284 8.7731 124.1554 60.6573 34.0578 174.5081 110 A 4.4811 9.0703 131.7017 52.3494 19.1569 176.2871 111 S 5.1093 8.4956 117.9730 56.8601 67.1399 174.7360 112 V 4.0149 8.4438 116.8790 60.5663 32.2922 175.8986 113 P 4.4068 0.0000 0.0000 65.0433 31.3638 177.5255 114 E 4.2041 8.1197 116.0957 57.1558 29.9459 176.0542 115 F 4.6493 8.0246 122.3621 57.5539 39.9180 175.5749 116 V 4.5222 7.1183 119.9351 60.1805 33.3465 175.3153 117 E 4.5702 5.9000 117.8866 55.6599 29.9777 178.5146 118 Q 4.2853 7.9795 120.1878 59.2083 28.8761 177.7471 119 H 4.2708 8.3188 116.0090 58.7784 28.2925 177.5703 120 L 3.9413 7.3299 120.2580 57.2127 41.8137 179.1449 121 V 3.7834 7.8177 118.1762 66.3010 31.5366 178.2863 122 I 3.8612 7.9303 118.9707 63.8858 36.8982 177.9204 123 N 4.3929 8.3948 117.9803 56.1222 38.1241 177.2096 124 G 3.7096 8.0922 106.9819 47.8442 0.0000 175.6005 125 A 3.9430 7.8395 122.7779 54.9757 18.5692 179.7591 126 S 4.1508 8.2278 113.8278 61.8408 62.8709 176.7745 127 N 4.3450 8.7202 119.5731 56.1791 38.2953 177.2712 128 L 3.9608 7.6858 121.8935 58.1867 42.1881 179.1553 129 I 3.6851 8.0096 119.7161 64.3264 37.0792 178.3327 130 A 4.0401 8.2183 121.7178 55.3932 17.9448 179.8994 131 T 3.8611 7.8892 113.5925 66.8401 68.6280 177.0593 132 V 3.8685 7.7570 113.0637 63.2379 31.8401 177.6724 133 L 4.4626 7.8669 116.6560 55.2361 43.0392 178.8943 134 G 3.7883 8.4982 107.7908 45.4057 0.0000 174.7736 135 E 3.9009 8.9284 118.8923 59.0018 29.8641 178.1434 136 P 4.3409 0.0000 0.0000 64.9930 31.5339 178.2593 137 G 3.6736 7.9672 106.2750 47.1686 0.0000 174.2494 138 R 4.0908 7.7630 120.5595 56.2938 30.5339 175.5395 139 H 5.4070 8.2130 116.5228 52.6262 32.0717 172.9007 140 A 4.3479 8.5926 121.7617 52.4865 19.6789 176.2762 141 R 5.6806 8.3753 117.0340 56.0392 33.3458 173.8335 142 A 4.9187 8.4997 123.9236 50.0353 22.8568 174.8601 143 A 5.0745 8.4954 121.2909 50.4218 21.7987 175.9305 144 V 4.5433 8.7531 114.7629 59.9719 36.6725 175.1545 145 G 4.7066 8.6703 109.8843 44.4708 0.0000 173.3650 *147 A 4.4619 8.4731 121.9733 51.6985 20.2877 176.7139 148 S 4.6256 7.2436 106.8875 58.4137 64.9754 175.3897 149 L 4.7906 7.4727 118.9546 51.9829 45.7483 174.2949 150 P 4.1482 0.0000 0.0000 64.6276 31.6218 176.8630 151 F 3.5337 8.8450 118.6470 58.0577 36.5679 174.6808 152 N 4.2179 8.3201 116.7927 54.2355 37.6646 173.8279 153 A 4.5009 7.8857 118.4825 52.2531 19.0912 179.0171 154 S 4.5592 8.6029 116.8488 60.2916 64.1259 174.5825 155 V 5.0624 7.5605 117.5023 61.3412 34.4054 173.7525 156 E 5.0869 9.6349 127.2575 54.7067 33.5039 174.0824 157 I 5.4036 9.1520 126.3167 58.5115 41.5929 174.2784 158 D 5.3900 8.4604 124.7684 51.9527 43.1576 174.1626 159 A 5.0615 8.3272 118.1226 51.0155 23.2875 175.3497 160 I 4.6261 8.4917 120.3719 59.3262 40.6833 174.9530 161 V 4.7070 8.5976 126.7067 60.8935 34.8288 173.8263 162 E 4.7987 9.2861 129.8507 55.5326 31.0021 176.2255 163 I 4.6481 8.4864 119.9144 60.0276 37.3772 175.1993 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 T 8.03 4.31 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 3 E 8.23 3.73 0.00 2.20 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 2.83 2.68 0.00 4 N 8.45 4.73 0.00 2.86 2.94 0.00 0.00 6.71 6.74 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 5 L 7.96 4.01 0.00 1.80 1.87 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.14 3.93 0.00 2.92 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 7 F 7.91 4.33 0.00 3.19 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 8 Q 8.53 4.44 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 9 G 8.25 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 *11 S 8.07 4.44 0.00 4.09 3.97 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 0.00 0.00 0.00 0.00 12 D 8.23 4.36 0.00 2.87 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 13 V 7.88 3.54 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 1.09 0.00 0.00 0.93 0.00 0.00 14 I 7.67 3.83 1.99 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.95 0.90 0.00 0.00 15 E 8.35 4.15 0.00 2.03 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 2.33 2.46 0.00 16 G 8.37 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.29 4.45 0.00 2.04 2.01 0.00 3.24 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 18 L 7.91 4.06 0.00 1.82 1.88 0.96 0.29 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 19 K 8.10 4.33 0.00 2.04 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 20 E 8.44 4.03 0.00 2.26 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 21 L 7.52 4.42 0.00 2.02 1.95 1.00 1.37 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 22 G 7.94 3.81 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 0.00 0.00 0.00 23 F 8.34 4.94 0.00 3.09 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 24 T 8.26 4.71 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 1.23 0.00 0.00 25 L 8.33 4.30 0.00 1.67 1.66 0.97 1.05 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 26 P 0.00 4.68 0.00 2.18 1.30 0.00 3.80 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 1.99 2.07 0.00 *32 A 8.64 3.87 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 33 A 7.63 4.59 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.67 4.61 0.00 2.81 2.93 0.00 0.00 6.70 7.46 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 35 Y 7.03 4.91 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.90 4.38 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 0.76 0.00 0.00 0.95 0.00 0.00 37 P 0.00 4.65 0.00 2.43 2.34 0.00 3.44 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 1.62 1.87 0.00 38 F 6.79 5.51 0.00 3.28 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 39 T 9.08 4.98 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 1.22 0.00 0.00 40 I 8.47 5.21 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 1.02 0.00 0.00 41 S 9.13 4.52 0.00 3.80 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 42 G 8.51 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 0.00 0.00 0.00 43 N 8.74 4.88 0.00 3.11 3.02 0.00 0.00 5.82 6.67 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 44 L 8.14 5.05 0.00 1.89 1.61 0.98 0.27 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 45 L 9.09 5.07 0.00 1.67 1.63 0.91 0.57 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 46 Y 9.45 4.82 0.00 2.95 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 47 V 8.72 4.95 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 1.11 0.00 0.00 0.95 0.00 0.00 48 S 9.17 4.44 0.00 3.99 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 49 G 8.75 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 9.39 4.92 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 51 L 8.37 5.03 0.00 1.52 1.63 1.06 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.39 0.00 2.13 2.39 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.98 0.00 *54 E 8.59 4.24 0.00 2.10 1.94 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 2.31 2.41 0.00 55 S 9.81 3.51 0.00 4.02 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.55 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 57 K 7.71 4.56 0.00 1.71 1.66 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.55 7.81 58 I 8.19 3.95 1.89 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 1.22 0.71 0.95 0.00 0.00 59 A 8.94 4.14 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 60 V 7.67 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 1.05 0.00 0.00 0.95 0.00 0.00 61 T 8.61 4.95 4.34 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 1.27 0.00 0.00 62 G 8.84 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 63 L 8.93 4.56 0.00 1.67 1.57 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.55 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.16 4.02 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 74 Q 8.82 4.12 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 75 R 8.34 4.39 0.00 2.00 2.18 0.00 3.41 0.00 0.00 3.47 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 76 A 8.07 3.98 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 77 A 8.26 3.91 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 78 E 8.29 3.73 0.00 2.18 1.59 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 2.39 2.51 0.00 79 L 7.96 3.82 0.00 1.84 1.70 1.04 0.97 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 80 C 8.32 4.22 0.00 3.09 2.97 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 0.00 0.00 0.00 0.00 81 A 8.15 3.88 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 82 V 7.83 3.41 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 1.00 0.00 0.00 0.37 0.00 0.00 83 N 8.31 4.37 0.00 2.97 3.06 0.00 0.00 7.04 7.02 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 84 I 7.95 3.69 1.98 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 1.52 0.84 0.87 0.00 0.00 85 L 8.05 3.91 0.00 1.81 1.68 0.87 0.81 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 86 A 8.11 4.00 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 87 Q 8.15 3.99 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.70 2.62 0.00 88 V 7.95 3.31 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 0.89 0.00 0.00 0.89 0.00 0.00 89 K 8.33 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0.00 114 E 8.12 4.20 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 2.37 0.00 115 F 8.02 4.65 0.00 3.01 3.19 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 0.00 116 V 7.12 4.52 1.95 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 0.88 0.00 0.00 0.80 0.00 0.00 117 E 5.90 4.57 0.00 1.66 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 0.00 2.17 2.02 0.00 118 Q 7.98 4.29 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.90 0.00 0.00 0.00 0.00 0.00 2.65 2.77 0.00 119 H 8.32 4.27 0.00 3.35 3.53 0.00 5.46 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 0.00 120 L 7.33 3.94 0.00 1.76 1.76 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.82 3.78 2.34 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 1.10 0.00 0.00 1.18 0.00 0.00 122 I 7.93 3.86 1.88 0.00 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0.00 0.00 0.00 0.00 1.63 1.62 0.00 139 H 8.21 5.41 0.00 3.06 3.30 0.00 5.13 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.59 4.35 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 0.00 141 R 8.38 5.68 0.00 1.82 1.75 0.00 3.02 0.00 0.00 3.92 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 142 A 8.50 4.92 1.19 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 0.00 143 A 8.50 5.07 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 0.00 144 V 8.75 4.54 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 0.73 0.00 0.00 1.24 0.00 0.00 145 G 8.67 4.71 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 *147 A 8.47 4.46 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 0.00 148 S 7.24 4.63 0.00 3.92 3.81 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 0.00 149 L 7.47 4.79 0.00 1.90 1.57 1.05 0.98 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 0.00 150 P 0.00 4.15 0.00 2.35 1.91 0.00 3.88 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 2.14 2.07 0.00 151 F 8.84 3.53 0.00 3.23 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 0.00 152 N 8.32 4.22 0.00 2.98 2.91 0.00 0.00 7.10 7.96 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 0.00 153 A 7.89 4.50 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 0.00 154 S 8.60 4.56 0.00 3.84 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 0.00 155 V 7.56 5.06 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 0.75 0.00 0.00 1.00 0.00 0.00 156 E 9.63 5.09 0.00 2.14 1.97 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 0.00 2.47 2.52 0.00 157 I 9.15 5.40 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 0.83 1.19 0.83 0.00 0.00 158 D 8.46 5.39 0.00 3.11 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 0.00 159 A 8.33 5.06 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 0.00 160 I 8.49 4.63 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.66 0.41 0.00 0.00 161 V 8.60 4.71 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 0.93 0.00 0.00 0.85 0.00 0.00 162 E 9.29 4.80 0.00 2.02 1.77 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 2.27 2.24 0.00 163 I 8.49 4.65 1.82 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 1.23 1.59 0.85 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.