NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4684 8.3349 117.0978 57.9206 63.7408 172.8544 -1 N 4.9825 8.3711 122.0054 50.4190 41.6804 171.8971 0 A 5.0199 8.5160 125.1225 51.0922 21.6359 177.6454 0 K 5.0199 8.5660 121.7225 54.7922 35.6359 176.4454 3 A 4.8627 8.0970 125.5835 49.8717 22.5239 174.1568 4 D 5.1765 8.9744 122.7185 53.4776 42.7606 175.6347 5 I 4.8565 9.4046 126.1327 60.0375 39.0860 174.6432 6 L 5.1621 9.2014 128.2066 52.9059 44.3467 175.4816 7 L 5.0401 9.0206 124.5428 53.0459 44.1409 175.5687 8 V 4.6695 8.6835 124.5868 61.1616 34.2232 174.3250 9 S 5.2305 8.2635 120.1384 58.2649 65.6540 174.5832 10 H 4.6688 8.9553 120.1207 57.7945 29.8065 175.5067 11 S 4.7805 8.1820 114.1959 56.5084 63.0495 175.4105 12 K 4.1722 8.4150 130.7969 56.7016 31.8318 178.7397 *14 I 4.1026 8.0202 119.1622 61.1980 39.1853 178.4207 15 T 4.0101 7.6073 110.8291 64.6365 68.6697 176.4703 16 D 4.4656 8.8038 122.2853 57.2215 40.6399 179.0148 17 G 3.6374 7.9881 104.4798 47.8473 0.0000 175.3246 18 I 3.8960 7.6844 121.3048 63.8236 37.4179 178.1128 19 K 4.1115 8.0611 120.4859 59.4457 31.7898 179.0603 20 E 3.8580 7.9727 116.6498 57.3569 29.5090 178.2417 *22 I 3.9180 7.6520 119.2364 60.9715 38.9626 177.0829 23 E 4.0857 8.1784 118.0621 58.8775 29.3932 178.1998 24 Q 3.9988 7.5913 114.7275 57.2006 28.4146 175.4784 *26 N 4.2662 7.9175 116.2122 53.5768 39.5778 173.6130 27 A 4.5482 8.5782 126.4579 51.7121 19.9216 175.5387 28 S 4.6835 8.0223 112.7850 56.2862 64.0318 174.7807 29 E 3.9932 8.7845 128.5589 58.9626 29.6969 177.4346 30 E 4.1559 7.6840 116.2689 58.3508 30.0582 177.1470 31 I 4.6684 7.3227 120.8346 59.8474 38.8182 175.3924 32 T 4.6282 8.9761 123.8720 61.6939 71.6650 172.9763 33 I 4.7799 8.3074 126.3350 59.8922 39.4178 174.6361 34 H 4.7140 9.6215 125.3913 54.0140 30.8929 173.8970 35 S 4.5467 8.8359 119.7664 57.4738 61.7388 173.1696 36 L 4.7694 8.7191 128.4653 54.1675 42.2395 177.1966 37 G 3.6770 7.9820 107.8181 46.2706 0.0000 175.4721 38 G 4.3443 8.6484 107.8791 44.7460 0.0000 172.8553 39 T 4.2401 8.8432 114.5932 60.7349 68.2512 175.0155 40 S 4.0746 8.7934 118.4870 61.5479 62.0624 174.5713 41 D 4.6442 8.0931 116.3614 53.2304 39.1651 177.0605 42 G 3.9999 8.6590 110.1898 46.0542 0.0000 174.4819 43 S 4.2869 8.1896 115.9217 57.9404 63.4322 173.4286 44 L 4.4562 8.4692 121.9668 54.7090 41.4040 177.5605 45 G 3.9999 7.6905 111.6259 46.0334 0.0000 170.5071 46 S 4.8560 8.1265 114.4653 57.0991 64.8200 174.6826 47 D 4.5711 8.0721 121.8808 52.4618 42.0671 175.1198 48 P 4.6541 0.0000 0.0000 61.8663 30.5910 178.9140 *50 K 4.2208 8.0856 119.4357 57.7469 34.5394 178.7844 51 I 3.6577 7.2450 119.7213 64.4680 37.0409 178.2522 52 I 3.6139 7.7520 120.3105 64.6921 37.0177 177.8377 53 D 4.3640 8.1511 118.8598 57.9858 40.4317 179.1434 54 T 3.7680 7.5488 114.2201 66.9157 68.6946 176.4001 55 I 3.1766 7.5433 121.4114 64.2115 36.7846 178.3428 56 N 4.3946 7.8267 116.3479 56.0067 38.4230 176.9080 57 E 4.1163 8.0029 118.6499 57.2988 30.0665 177.0999 58 A 4.3998 6.9695 121.6512 51.1511 19.1330 177.0495 59 D 4.5161 8.6369 120.8689 55.1803 41.4199 177.2424 60 S 4.7005 8.6630 118.1540 58.8715 62.8080 174.2210 61 D 4.8836 7.7040 117.8900 52.9942 39.2833 175.9395 62 R 4.7264 7.5119 117.2855 54.8590 33.2610 175.1914 63 E 4.2917 8.2635 120.2412 55.4983 31.8931 175.3235 64 F 4.9438 9.3534 123.4160 56.0214 41.2962 174.7150 65 L 4.8959 9.0408 125.6161 53.1966 43.5041 175.6751 66 I 4.8221 8.1388 125.6835 59.3869 39.6637 174.8538 67 F 5.1231 9.1124 125.2024 55.5831 42.0210 174.2926 68 A 5.7290 8.9693 123.4106 49.5512 22.1106 174.0977 69 D 4.6792 8.9199 116.2188 53.9602 41.1732 177.4897 70 L 4.8309 7.5091 117.8312 51.4208 44.8876 177.6617 71 G 3.9489 8.8294 106.0163 48.5786 0.0000 175.8839 72 S 4.1076 8.0127 116.3547 60.9635 63.0990 176.2063 73 A 4.0126 7.8398 123.9117 54.5722 18.1795 179.7052 74 V 3.5320 7.7528 116.9804 65.9882 31.5618 177.9743 75 L 3.9477 8.0636 120.2214 58.3362 41.8640 178.9344 76 S 4.0978 8.0484 112.9390 61.4761 62.1606 176.2808 77 S 4.2430 8.2893 117.9540 61.7260 62.5742 176.5627 78 E 4.0495 8.3908 121.3503 59.0096 28.9712 179.0728 79 L 3.9231 8.0778 119.7780 58.0322 42.2671 178.3616 80 A 4.1043 7.9996 119.6649 55.2791 18.3770 178.8016 81 F 3.4627 7.4271 117.5765 61.1965 39.7391 177.9738 82 D 4.3279 7.6308 117.5245 53.1964 40.7019 176.2885 *84 L 3.9439 7.2168 117.3341 54.4103 43.1639 177.6313 85 E 4.2187 8.4378 120.7065 55.5543 31.0522 178.0741 86 E 3.8457 8.5067 120.8381 59.6118 29.5234 178.6895 87 D 4.4958 7.9814 117.4627 56.2395 39.7495 178.2753 88 Q 4.2288 7.9876 119.2197 59.2046 28.8011 177.9889 89 Q 3.9796 8.1347 119.1866 59.1048 28.5151 178.8098 90 K 4.4146 7.7827 116.7397 57.7987 32.5564 176.4911 91 H 5.0273 8.6329 114.7213 55.4267 30.6861 172.4699 92 Y 4.9963 8.0127 121.1432 56.4159 40.0004 174.8467 93 H 4.7801 9.0213 125.4479 53.7488 31.5087 173.8006 94 L 4.2280 8.4773 124.6231 54.4178 41.6288 176.9300 95 V 3.6629 7.9631 125.7463 61.2326 32.1394 177.0042 96 D 4.6395 8.3870 129.7272 53.1649 39.1767 174.2711 97 A 4.8938 7.3794 122.7070 49.3971 23.0956 174.7346 98 P 4.4416 0.0000 0.0000 62.3883 32.2408 177.5426 99 L 3.9548 8.6373 123.4773 58.6073 42.5236 179.5046 100 V 3.5427 7.7248 117.1863 66.0539 31.5945 177.7508 101 E 3.9973 8.0452 117.8419 59.2801 29.3762 179.4162 102 G 3.6685 8.0854 105.5538 47.8291 0.0000 175.5941 103 A 2.5800 7.0840 123.2875 54.1878 18.1877 179.5827 104 F 3.7608 8.0752 119.0030 61.2256 39.6172 177.2826 105 A 4.0830 8.5044 121.1955 55.1894 18.0951 179.7836 106 S 4.1048 8.4814 112.9889 61.2897 62.8724 176.2429 107 A 3.8859 7.9256 124.5064 55.1652 17.7938 179.5109 108 I 3.5718 6.9870 115.9470 65.0059 37.5893 178.5321 109 T 3.9780 7.7756 115.7541 66.6080 68.1006 176.6327 110 A 4.4434 7.6135 122.8990 53.9611 18.4213 179.4362 111 G 3.7367 7.6424 103.5100 46.6148 0.0000 174.8839 112 V 4.4671 7.0751 110.9241 59.3871 32.6622 175.1137 113 S 4.5677 7.6653 113.1224 57.5931 64.8691 174.2915 114 D 4.8106 8.5422 125.2721 53.2381 39.6148 177.1313 115 D 4.5162 7.8047 120.9827 53.6238 40.1144 175.7614 116 L 3.8923 8.2899 128.1112 58.1608 42.2532 178.4631 117 T 3.9298 8.0055 111.5556 65.5480 68.8444 177.1139 118 Q 4.0641 8.1401 123.4530 59.8713 28.0753 180.7154 119 I 3.9658 7.6447 120.9396 64.4553 37.0551 178.5473 120 L 4.0523 7.9605 119.5978 57.3481 41.4264 179.3610 121 A 3.9290 7.8643 120.3527 55.1544 18.1856 178.8901 122 E 3.8321 7.9006 116.2132 59.8094 29.8511 178.8494 123 A 4.2187 8.1434 120.3392 55.3062 18.2790 179.5654 124 Q 4.3178 8.2387 116.8691 57.5633 28.8839 177.3687 125 N 4.7539 7.8124 115.3473 52.0700 39.0886 175.0314 126 A 4.1238 6.9916 123.7884 52.9981 19.1202 178.4537 127 G 3.7910 8.6427 106.9035 45.5092 0.0000 173.6964 128 K 4.1426 7.6520 119.3272 55.3913 32.5703 176.8863 129 K 3.6866 8.2544 123.3201 55.8246 32.6230 176.7143 130 G 3.8061 7.6593 105.9407 46.6834 0.0000 174.6826 131 W 4.8658 8.0433 118.7689 57.2883 30.6638 176.5731 132 N 4.6761 8.1613 119.4596 52.9826 36.8994 174.2141 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 S 8.33 4.47 0.00 3.65 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 N 8.37 4.98 0.00 2.82 2.70 0.00 0.00 6.79 6.65 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 A 8.52 5.02 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 0 K 8.57 5.02 0.00 1.69 1.34 0.00 0.61 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.33 7.81 3 A 8.10 4.86 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 4 D 8.97 5.18 0.00 3.00 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 5 I 9.40 4.86 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.25 1.01 0.00 0.00 6 L 9.20 5.16 0.00 1.62 1.60 1.10 0.19 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 7 L 9.02 5.04 0.00 1.61 1.62 0.97 0.84 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 8 V 8.68 4.67 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 1.02 0.00 0.00 0.98 0.00 0.00 9 S 8.26 5.23 0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 H 8.96 4.67 0.00 3.14 3.31 0.00 5.93 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.18 4.78 0.00 3.90 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 12 K 8.42 4.17 0.00 1.92 1.76 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.52 1.61 7.81 *14 I 8.02 4.10 2.03 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 1.48 0.69 0.93 0.00 0.00 15 T 7.61 4.01 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 1.34 0.00 0.00 16 D 8.80 4.47 0.00 2.71 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 17 G 7.99 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 18 I 7.68 3.90 1.88 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 1.61 0.84 0.91 0.00 0.00 19 K 8.06 4.11 0.00 1.94 2.05 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.59 1.44 7.81 20 E 7.97 3.86 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 *22 I 7.65 3.92 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.92 0.75 0.00 0.00 23 E 8.18 4.09 0.00 2.05 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 2.32 2.36 0.00 24 Q 7.59 4.00 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.40 0.00 0.00 0.00 0.00 0.00 2.66 2.49 0.00 *26 N 7.92 4.27 0.00 2.57 2.70 0.00 0.00 6.92 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 27 A 8.58 4.55 1.24 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 28 S 8.02 4.68 0.00 3.82 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 29 E 8.78 3.99 0.00 1.96 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 2.29 2.32 0.00 30 E 7.68 4.16 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 31 I 7.32 4.67 1.97 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 1.20 0.52 0.92 0.00 0.00 32 T 8.98 4.63 4.56 0.00 0.00 0.00 0.00 0.00 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 33 I 8.31 4.78 1.84 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 1.30 0.42 0.90 0.00 0.00 34 H 9.62 4.71 0.00 3.06 3.24 0.00 5.61 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.84 4.55 0.00 3.90 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 36 L 8.72 4.77 0.00 1.71 1.67 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.98 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 38 G 8.65 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 0.00 0.00 0.00 0.00 39 T 8.84 4.24 4.26 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 1.32 0.00 0.00 40 S 8.79 4.07 0.00 3.87 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 41 D 8.09 4.64 0.00 2.81 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 42 G 8.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 4.29 0.00 3.92 3.82 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 44 L 8.47 4.46 0.00 1.59 1.53 0.91 0.85 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 45 G 7.69 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.13 4.86 0.00 3.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.07 4.57 0.00 2.71 2.51 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 48 P 0.00 4.65 0.00 2.26 2.41 0.00 3.79 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 2.08 2.00 0.00 *50 K 8.09 4.22 0.00 2.09 1.95 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.69 7.81 51 I 7.25 3.66 2.04 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 1.56 0.83 1.07 0.00 0.00 52 I 7.75 3.61 1.84 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 1.47 0.97 0.86 0.00 0.00 53 D 8.15 4.36 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.55 3.77 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 0.94 0.00 0.00 55 I 7.54 3.18 1.63 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.55 0.00 0.00 56 N 7.83 4.39 0.00 2.81 2.85 0.00 0.00 7.10 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 57 E 8.00 4.12 0.00 2.19 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 2.34 2.31 0.00 58 A 6.97 4.40 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.64 4.52 0.00 2.76 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 60 S 8.66 4.70 0.00 3.87 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 61 D 7.70 4.88 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.51 4.73 0.00 1.37 1.60 0.00 3.22 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 63 E 8.26 4.29 0.00 1.78 1.83 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 2.28 2.21 0.00 64 F 9.35 4.94 0.00 2.80 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 65 L 9.04 4.90 0.00 1.70 1.52 1.00 0.43 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 66 I 8.14 4.82 1.56 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.45 0.87 0.00 0.00 67 F 9.11 5.12 0.00 2.94 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 68 A 8.97 5.73 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 69 D 8.92 4.68 0.00 2.82 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 70 L 7.51 4.83 0.00 1.69 1.63 0.96 0.84 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 71 G 8.83 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 72 S 8.01 4.11 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 73 A 7.84 4.01 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 74 V 7.75 3.53 2.26 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 1.01 0.00 0.00 0.98 0.00 0.00 75 L 8.06 3.95 0.00 1.93 1.81 0.93 0.75 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 76 S 8.05 4.10 0.00 3.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.29 4.24 0.00 4.13 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 78 E 8.39 4.05 0.00 2.18 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 2.31 2.46 0.00 79 L 8.08 3.92 0.00 1.68 1.94 0.91 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.00 4.10 1.45 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 0.00 0.00 81 F 7.43 3.46 0.00 2.26 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 82 D 7.63 4.33 0.00 2.79 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 *84 L 7.22 3.94 0.00 1.34 1.45 0.67 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.44 4.22 0.00 2.20 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 86 E 8.51 3.85 0.00 1.95 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 2.33 2.29 0.00 87 D 7.98 4.50 0.00 2.89 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 88 Q 7.99 4.23 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 89 Q 8.13 3.98 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 1.32 2.15 0.00 90 K 7.78 4.41 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.55 7.81 91 H 8.63 5.03 0.00 3.48 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.01 5.00 0.00 3.31 3.29 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 93 H 9.02 4.78 0.00 2.93 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.48 4.23 0.00 1.43 1.57 0.72 1.14 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 95 V 7.96 3.66 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 0.64 0.00 0.00 0.34 0.00 0.00 96 D 8.39 4.64 0.00 2.76 2.54 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 97 A 7.38 4.89 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.44 0.00 2.32 1.99 0.00 3.78 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 2.21 2.08 0.00 99 L 8.64 3.95 0.00 1.94 1.68 1.00 0.87 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 0.00 100 V 7.72 3.54 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 0.95 0.00 0.00 0.91 0.00 0.00 101 E 8.05 4.00 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 102 G 8.09 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 0.00 103 A 7.08 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 8.08 3.76 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 A 8.50 4.08 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 0.00 106 S 8.48 4.10 0.00 4.22 4.50 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 0.00 107 A 7.93 3.89 1.16 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 0.00 0.00 108 I 6.99 3.57 1.98 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.82 0.89 0.00 0.00 109 T 7.78 3.98 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 0.00 110 A 7.61 4.44 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 0.00 111 G 7.64 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 0.00 0.00 0.00 112 V 7.08 4.47 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 0.88 0.00 0.00 0.95 0.00 0.00 113 S 7.67 4.57 0.00 3.79 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 0.00 114 D 8.54 4.81 0.00 2.75 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 0.00 115 D 7.80 4.52 0.00 2.76 2.60 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 0.00 116 L 8.29 3.89 0.00 1.70 1.59 0.66 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.01 3.93 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 1.19 0.00 0.00 118 Q 8.14 4.06 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 119 I 7.64 3.97 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.93 0.00 0.00 120 L 7.96 4.05 0.00 1.69 1.68 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 121 A 7.86 3.93 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 0.00 122 E 7.90 3.83 0.00 2.12 2.24 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 2.34 2.42 0.00 123 A 8.14 4.22 1.63 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 0.00 124 Q 8.24 4.32 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.65 2.24 0.00 125 N 7.81 4.75 0.00 2.78 2.83 0.00 0.00 6.96 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 0.00 126 A 6.99 4.12 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 0.00 127 G 8.64 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 0.00 128 K 7.65 4.14 0.00 1.68 1.68 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 129 K 8.25 3.69 0.00 0.79 0.74 0.00 1.19 0.00 0.00 1.31 0.00 0.00 2.58 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.50 0.21 7.81 130 G 7.66 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 0.00 131 W 8.04 4.87 0.00 3.42 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 0.00 132 N 8.16 4.68 0.00 2.83 2.82 0.00 0.00 5.85 7.56 0.00 0.00 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.