NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3081 0.0000 0.0000 62.9496 33.7998 174.1581 2 H 4.9859 7.9182 119.6183 53.9286 32.3535 171.7024 3 F 5.6125 8.9889 124.1776 55.7426 43.1942 173.4503 4 L 4.4767 8.2174 122.9642 53.4235 44.1174 175.2115 5 I 4.6835 8.4635 128.0275 59.8301 38.8988 174.0963 6 L 5.1650 9.1879 130.8463 53.3780 44.0719 174.7382 7 N 5.4739 9.3863 124.2605 51.7562 41.7710 175.1057 8 G 4.2410 8.7724 113.3062 43.3321 0.0000 170.8854 9 P 4.4330 0.0000 0.0000 64.3398 31.7568 177.0346 10 N 4.4396 9.2232 117.2693 53.8897 38.1336 176.7594 11 V 3.6223 7.4381 118.4835 65.4590 31.7411 177.5096 12 N 4.4278 8.0821 115.8754 54.9467 37.3292 175.5693 13 R 4.2946 8.0239 117.6996 55.4898 30.3606 175.6624 14 L 3.7817 7.5742 121.2862 56.6563 42.3591 176.1399 15 G 4.1488 9.8297 118.7385 47.0571 0.0000 176.5107 16 S 4.0394 7.3855 115.8825 59.0445 63.1501 174.7797 17 R 4.4582 8.9829 118.6172 58.1556 34.6433 176.8131 *24 R 4.4065 8.0892 116.6453 55.9756 31.5180 181.6813 25 Q 4.1533 7.9217 115.3232 56.1484 29.2657 176.4644 26 T 4.6528 8.1640 111.9444 59.6686 71.9115 175.7977 27 L 3.8761 8.1643 121.9778 58.4221 42.0129 178.8769 28 T 3.6437 7.7155 115.1770 66.5963 68.4804 175.7556 29 D 4.3134 7.7833 120.4216 57.8437 40.9591 179.3380 30 I 3.6678 7.6457 119.7520 64.3851 37.0315 178.4444 31 E 3.2961 8.0553 119.5800 59.2571 29.0886 179.5179 32 T 3.8475 7.6834 115.8545 66.6804 68.4305 176.4900 33 D 4.4327 8.1201 120.7859 57.4823 40.8785 178.9298 34 L 4.1684 8.1349 119.4724 57.4615 41.4965 179.3369 35 F 4.5787 8.5448 120.8595 61.6202 39.4354 176.8860 36 Q 4.0411 8.2925 117.6956 59.3376 28.7144 179.2310 37 F 4.1705 8.7600 121.3071 60.9963 39.3306 177.0453 38 A 4.0079 8.7362 120.8922 55.1878 18.1799 179.2003 39 E 3.7316 8.2481 117.0132 59.7771 29.3967 179.5111 40 A 3.8654 7.7182 118.8421 54.4248 18.3111 178.6532 41 L 4.3169 7.0345 114.1380 53.7923 42.2549 176.0164 42 H 4.0662 7.9898 115.0566 57.0310 26.6350 174.4127 43 I 4.5804 7.7493 111.0616 59.2480 40.5765 174.5179 44 Q 4.6991 8.6315 121.7627 54.2592 31.3024 174.8564 45 L 5.4390 8.4932 121.0513 53.3433 45.8044 175.8985 46 T 4.7616 8.5839 118.4737 61.8364 71.8068 172.8634 47 F 5.2473 8.9639 124.4013 55.9017 41.2747 175.0670 48 F 5.0471 9.1442 124.5908 56.6874 42.9862 172.7679 49 Q 4.8994 7.9373 126.1007 54.3560 31.2423 174.1285 50 S 4.5262 8.4565 118.9275 57.2157 66.1486 174.1975 51 N 4.6100 8.9032 121.1782 54.0109 39.2595 174.7091 52 H 4.6469 8.1404 117.8239 54.2652 29.9702 175.2572 53 E 3.9931 9.2074 125.8391 59.6995 29.2914 179.1172 54 G 3.7040 8.1496 104.8043 47.9941 0.0000 175.2260 55 D 4.4742 8.1630 120.6846 57.0608 40.7814 178.8395 56 L 4.1106 7.9417 119.0419 57.8492 41.7662 179.2880 57 I 3.6168 7.7225 119.6760 64.5456 37.0967 178.0492 58 D 4.3171 8.1691 119.2615 57.4313 40.6730 178.8610 59 A 3.9692 8.1396 121.0673 55.1481 18.1481 179.7741 60 I 3.6569 7.7680 117.3028 64.8422 37.2741 177.8390 61 H 4.3972 8.1448 116.9718 59.3262 28.7255 177.6098 62 E 4.0143 8.4205 118.8567 58.4079 29.2071 179.0976 63 A 4.3615 7.9977 121.7918 55.0795 17.9078 178.8135 64 E 3.9567 7.7420 117.8980 59.3378 29.3196 178.1135 65 E 4.5429 7.4779 113.7932 56.2663 29.9123 176.2637 66 Q 4.1090 7.5468 117.5900 55.4968 31.4654 173.7081 67 Y 4.9390 8.0783 114.0689 56.2237 41.1091 175.1340 68 S 4.8244 8.6461 113.8845 57.6740 64.0112 174.1416 69 G 4.2317 7.6471 106.5202 46.3501 0.0000 172.4109 70 I 5.0766 8.2450 121.8936 59.1983 41.1074 174.7556 71 V 4.3067 8.6065 127.0696 61.3667 33.1456 174.1975 72 L 4.9550 8.8730 131.8667 53.6087 44.1193 174.6661 73 N 5.1292 9.1292 127.1016 50.5044 39.1031 172.9500 74 P 4.3894 0.0000 0.0000 62.1272 32.9427 178.1782 75 G 4.2128 8.2152 108.1284 46.1778 0.0000 174.6671 76 A 4.2875 8.4863 120.0238 54.2246 18.4379 179.3665 77 L 3.3012 7.5011 116.6388 56.6506 41.4870 179.0182 78 S 3.9488 7.8479 113.9068 61.6846 62.0321 175.2904 79 H 4.8870 7.8375 116.2782 57.2931 28.8262 175.5408 80 Y 4.5841 7.2994 114.2156 56.0464 41.8633 176.0283 81 S 4.2652 7.7355 116.8790 57.6113 60.9542 173.4038 82 Y 4.2612 8.0950 125.2956 59.9820 37.8632 177.2567 83 A 4.0443 8.0381 121.8948 55.2353 18.5889 179.5736 84 I 3.6998 7.6227 118.0770 64.1848 37.1556 178.2169 85 R 3.9126 7.8770 119.5089 60.0799 29.6608 178.3452 86 D 4.4598 8.3167 116.8026 56.9328 41.0128 178.5150 87 A 4.2270 7.8886 121.4343 55.1526 18.3153 179.6026 88 V 3.5631 7.8516 116.7610 66.5584 31.3678 178.4914 89 S 4.2717 8.0395 113.3540 60.8216 62.7198 175.8098 90 S 4.5194 7.8383 115.2256 57.8357 63.5392 173.7424 91 I 4.8159 7.0684 115.2418 58.3874 39.8012 175.7163 92 S 4.4625 9.1607 115.8622 59.5791 63.6774 174.8518 93 L 4.4469 7.8183 120.8628 53.8046 42.5052 174.8839 94 P 4.5527 0.0000 0.0000 62.7944 32.8475 175.1025 95 V 4.8352 8.4829 122.9689 60.9740 34.8503 173.8163 96 V 4.6544 8.3582 127.2066 61.0801 34.0731 173.6633 97 E 4.8852 8.9131 129.2520 55.0366 30.8889 174.8261 98 V 4.8471 8.5845 126.1516 61.4515 35.6201 173.8923 99 H 4.8405 8.5111 122.4542 54.3235 32.5860 174.1485 100 L 4.0005 8.7703 123.9143 57.8807 42.3189 178.0834 101 S 4.5135 7.8462 111.1747 57.4917 64.1596 174.0121 102 N 4.4672 8.2729 120.0863 52.3860 37.4505 175.0949 103 L 3.7785 7.9872 125.3590 57.6732 41.9029 179.5031 104 Y 3.9420 6.8660 114.4286 60.0738 37.7475 176.7608 105 A 4.5609 7.8964 120.9560 51.9199 19.8348 176.8862 106 R 4.7930 7.5606 116.7998 54.4356 32.7354 175.7762 107 E 3.9824 8.4285 117.5075 57.3487 30.3321 177.7002 108 E 3.4441 8.7180 122.2777 59.1052 29.8292 179.1397 109 F 4.2792 8.0012 112.1358 59.2775 37.9484 175.8281 110 R 3.4468 6.7798 118.7500 56.7202 29.8200 176.5338 111 H 4.8656 8.0205 115.0548 56.0414 29.1719 175.1914 112 Q 4.5939 7.6909 117.1407 54.2594 31.3490 173.9931 113 S 4.8960 8.6620 115.6708 56.8361 63.8518 174.1583 114 V 4.0553 8.5576 120.8332 62.5977 32.1403 177.9457 115 I 3.9952 7.6593 120.9833 63.8297 37.0484 177.6119 116 A 4.0282 8.1735 121.7235 54.7327 17.9248 177.8160 117 P 4.2407 0.0000 0.0000 64.9885 31.4968 177.5009 118 V 4.1071 7.5814 107.9503 60.9979 32.3725 175.6870 119 A 4.4855 7.3041 123.6195 50.7478 19.8430 177.6584 120 K 4.0930 8.9213 119.1797 59.4624 32.6198 177.8368 121 G 3.9163 7.4085 103.7139 46.7182 0.0000 171.6229 122 Q 5.6418 8.4448 119.0815 55.0895 32.5573 174.4350 123 I 4.5430 8.3080 125.6517 59.4837 40.1733 174.5375 124 V 4.6398 8.5480 126.1632 62.4847 33.9630 175.5849 125 G 3.9648 9.0119 115.7075 45.4285 0.0000 173.8807 126 L 4.3528 7.6721 118.1929 53.8839 42.0428 178.3434 127 G 3.8710 8.1922 110.3103 45.2002 0.0000 174.3492 128 A 4.2693 8.4833 118.7922 55.0124 18.1535 179.4809 129 E 4.0182 8.3110 117.5842 59.0395 29.6382 178.8935 130 G 3.5401 8.3576 106.4321 47.7247 0.0000 175.2963 131 Y 4.1165 7.7705 118.5540 60.9351 37.7897 178.8744 132 K 3.6267 7.8808 118.8356 59.2537 32.1785 179.1356 133 L 4.0079 7.9835 119.0584 57.8450 41.5516 179.4958 134 A 4.0011 8.4062 120.9660 55.2643 18.3166 179.8497 135 V 3.4560 7.9982 116.8036 66.1849 31.7018 178.5030 136 R 4.0693 8.5896 118.3268 59.2481 29.6729 178.3767 137 Y 4.0428 8.0318 118.5269 60.7813 39.2577 177.7175 138 L 3.8395 7.9339 119.8501 57.6688 41.3282 179.5218 139 L 4.1969 7.5363 118.0299 57.7654 41.7392 179.2479 140 S 4.2435 7.7025 111.1688 59.9371 62.9902 174.2488 141 Q 4.0537 7.5240 126.4097 56.0984 28.6234 175.2317 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 P 0.00 4.31 0.00 1.58 2.15 0.00 3.54 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 1.73 1.96 0.00 2 H 7.92 4.99 0.00 3.12 3.11 0.00 5.55 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 3 F 8.99 5.61 0.00 3.08 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 4 L 8.22 4.48 0.00 0.71 1.19 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.46 4.68 1.48 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 0.43 0.69 1.01 0.00 0.00 6 L 9.19 5.17 0.00 1.68 1.55 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.39 5.47 0.00 2.58 2.67 0.00 0.00 6.40 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.77 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.43 0.00 2.07 2.00 0.00 4.16 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 1.99 1.97 0.00 10 N 9.22 4.44 0.00 2.96 2.97 0.00 0.00 6.53 7.84 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 11 V 7.44 3.62 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.03 0.00 0.00 12 N 8.08 4.43 0.00 2.82 3.03 0.00 0.00 6.00 7.66 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 13 R 8.02 4.29 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 14 L 7.57 3.78 0.00 1.91 1.57 0.93 1.05 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 15 G 9.83 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 0.00 0.00 0.00 0.00 16 S 7.39 4.04 0.00 3.96 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 17 R 8.98 4.46 0.00 1.81 2.02 0.00 3.10 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 *24 R 8.09 4.41 0.00 1.88 1.93 0.00 3.27 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 25 Q 7.92 4.15 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 26 T 8.16 4.65 4.20 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 1.18 0.00 0.00 27 L 8.16 3.88 0.00 1.87 1.62 0.84 0.66 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 28 T 7.72 3.64 4.16 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 1.10 0.00 0.00 29 D 7.78 4.31 0.00 2.94 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 30 I 7.65 3.67 1.86 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 1.50 0.88 0.64 0.00 0.00 31 E 8.06 3.30 0.00 1.43 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 1.68 2.14 0.00 32 T 7.68 3.85 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 1.28 0.00 0.00 33 D 8.12 4.43 0.00 2.83 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 34 L 8.13 4.17 0.00 2.01 2.10 0.85 0.74 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 35 F 8.54 4.58 0.00 3.34 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 36 Q 8.29 4.04 0.00 2.51 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 37 F 8.76 4.17 0.00 3.25 3.33 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 38 A 8.74 4.01 1.52 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 0.00 0.00 39 E 8.25 3.73 0.00 2.19 1.93 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 2.33 2.21 0.00 40 A 7.72 3.87 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 41 L 7.03 4.32 0.00 1.48 1.54 0.63 0.58 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 42 H 7.99 4.07 0.00 3.24 3.33 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.75 4.58 1.82 0.00 0.00 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 1.35 0.72 0.99 0.00 0.00 44 Q 8.63 4.70 0.00 1.62 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 45 L 8.49 5.44 0.00 1.67 1.16 1.15 1.00 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 46 T 8.58 4.76 4.16 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 1.33 0.00 0.00 47 F 8.96 5.25 0.00 2.85 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 9.14 5.05 0.00 3.11 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 49 Q 7.94 4.90 0.00 1.91 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.49 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 50 S 8.46 4.53 0.00 3.60 3.55 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 51 N 8.90 4.61 0.00 2.73 2.79 0.00 0.00 6.93 8.16 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 52 H 8.14 4.65 0.00 3.40 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.21 3.99 0.00 1.99 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 2.37 2.34 0.00 54 G 8.15 3.70 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 0.00 0.00 0.00 55 D 8.16 4.47 0.00 3.04 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 56 L 7.94 4.11 0.00 1.85 1.75 0.91 0.92 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 57 I 7.72 3.62 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.08 0.77 0.00 0.00 58 D 8.17 4.32 0.00 2.86 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 59 A 8.14 3.97 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 60 I 7.77 3.66 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.69 0.96 0.00 0.00 61 H 8.14 4.40 0.00 3.33 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.42 4.01 0.00 2.10 1.99 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 2.32 2.37 0.00 63 A 8.00 4.36 1.60 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 64 E 7.74 3.96 0.00 2.09 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 2.44 0.00 65 E 7.48 4.54 0.00 1.97 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 2.26 2.27 0.00 66 Q 7.55 4.11 0.00 1.61 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 67 Y 8.08 4.94 0.00 2.97 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 68 S 8.65 4.82 0.00 4.01 3.99 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 69 G 7.65 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 0.00 0.00 0.00 0.00 70 I 8.25 5.08 1.89 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 1.12 1.19 0.90 0.00 0.00 71 V 8.61 4.31 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 0.99 0.00 0.00 0.90 0.00 0.00 72 L 8.87 4.96 0.00 1.76 1.47 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.13 5.13 0.00 2.67 2.96 0.00 0.00 6.82 7.27 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 74 P 0.00 4.39 0.00 2.17 2.20 0.00 3.63 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 2.02 1.96 0.00 75 G 8.22 4.21 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 0.00 76 A 8.49 4.29 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 77 L 7.50 3.30 0.00 1.70 1.41 0.81 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.85 3.95 0.00 3.91 3.34 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 79 H 7.84 4.89 0.00 3.50 3.62 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.30 4.58 0.00 2.85 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 81 S 7.74 4.27 0.00 3.48 3.58 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 82 Y 8.09 4.26 0.00 3.14 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 83 A 8.04 4.04 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 84 I 7.62 3.70 1.81 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.85 0.88 0.00 0.00 85 R 7.88 3.91 0.00 1.98 2.30 0.00 3.47 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.89 0.00 86 D 8.32 4.46 0.00 2.79 2.77 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 87 A 7.89 4.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.85 3.56 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 1.05 0.00 0.00 0.99 0.00 0.00 89 S 8.04 4.27 0.00 4.07 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 90 S 7.84 4.52 0.00 4.03 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 91 I 7.07 4.82 2.07 0.00 0.00 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 1.11 1.33 1.03 0.00 0.00 92 S 9.16 4.46 0.00 4.00 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 93 L 7.82 4.45 0.00 1.62 1.73 1.13 1.14 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 94 P 0.00 4.55 0.00 2.20 2.25 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.00 0.00 95 V 8.48 4.84 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 1.05 0.00 0.00 1.02 0.00 0.00 96 V 8.36 4.65 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 0.87 0.00 0.00 0.90 0.00 0.00 97 E 8.91 4.89 0.00 2.04 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 2.15 2.28 0.00 98 V 8.58 4.85 1.65 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 0.38 0.00 0.00 0.79 0.00 0.00 99 H 8.51 4.84 0.00 2.97 3.02 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.77 4.00 0.00 1.63 1.69 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.85 4.51 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.27 4.47 0.00 2.72 2.73 0.00 0.00 6.88 6.66 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 0.00 103 L 7.99 3.78 0.00 0.93 1.49 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 6.87 3.94 0.00 3.02 2.77 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 0.00 105 A 7.90 4.56 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 0.00 106 R 7.56 4.79 0.00 1.73 1.78 0.00 3.12 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 107 E 8.43 3.98 0.00 1.51 1.86 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 2.53 2.38 0.00 108 E 8.72 3.44 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.21 0.00 109 F 8.00 4.28 0.00 3.11 3.13 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 0.00 110 R 6.78 3.45 0.00 1.53 1.62 0.00 2.83 0.00 0.00 3.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 111 H 8.02 4.87 0.00 3.24 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.69 4.59 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 113 S 8.66 4.90 0.00 3.85 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 0.00 114 V 8.56 4.06 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 0.54 0.00 0.00 0.62 0.00 0.00 115 I 7.66 4.00 2.02 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.67 0.90 0.00 0.00 116 A 8.17 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 2.08 2.17 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 118 V 7.58 4.11 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 0.71 0.00 0.00 1.02 0.00 0.00 119 A 7.30 4.49 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 0.00 120 K 8.92 4.09 0.00 1.77 1.93 0.00 2.01 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.71 7.81 121 G 7.41 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 0.00 122 Q 8.44 5.64 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 123 I 8.31 4.54 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.85 0.00 0.00 124 V 8.55 4.64 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 0.45 0.00 0.00 0.82 0.00 0.00 125 G 9.01 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 0.00 126 L 7.67 4.35 0.00 1.60 1.66 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.19 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 0.00 0.00 0.00 128 A 8.48 4.27 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.31 4.02 0.00 2.07 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 0.00 2.36 2.41 0.00 130 G 8.36 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 0.00 131 Y 7.77 4.12 0.00 3.24 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 0.00 132 K 7.88 3.63 0.00 1.65 1.06 0.00 1.54 0.00 0.00 1.22 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.30 1.07 7.81 133 L 7.98 4.01 0.00 1.83 1.73 0.91 0.62 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 0.00 134 A 8.41 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.00 3.46 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 1.36 0.00 0.00 1.06 0.00 0.00 136 R 8.59 4.07 0.00 2.16 2.07 0.00 3.34 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.18 0.00 137 Y 8.03 4.04 0.00 2.95 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 0.00 138 L 7.93 3.84 0.00 1.64 0.86 0.97 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.54 4.20 0.00 1.80 1.80 1.04 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.70 4.24 0.00 3.99 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 0.00 141 Q 7.52 4.05 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.58 0.00 0.00 0.00 0.00 0.00 1.37 1.99 0.00 * Residues marked with a * may have inaccurate shift predictions.