NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9304 8.2085 109.7432 45.7111 0.0000 175.6527 2 A 3.9695 7.5066 122.3479 51.0247 19.1625 177.9119 *4 K 4.3602 8.9422 122.1839 58.2156 35.1336 175.7170 5 N 4.3208 7.8970 115.9037 56.4291 37.8643 177.4309 6 S 4.0633 8.2495 114.3236 61.4918 62.6103 175.8374 7 F 4.2889 8.3825 122.8314 61.4389 39.0161 176.6175 8 D 4.0442 8.5064 118.6617 57.4935 40.6283 178.7001 9 R 3.8750 7.9416 118.4129 59.9003 30.0755 177.9956 10 L 3.7639 7.8764 119.4072 58.1779 41.7579 178.6990 11 I 3.3010 7.4148 118.6982 64.5804 37.3239 177.5262 12 D 4.4255 8.5245 118.6835 57.6352 40.5677 179.1951 13 G 3.5748 8.2358 106.0536 47.9905 0.0000 175.6627 14 L 3.9252 7.7880 121.3364 56.9007 41.3337 179.5062 15 A 4.5429 8.2830 122.7197 54.8498 18.1961 179.8965 16 K 3.9605 7.9255 115.2716 58.7467 32.1603 178.2018 17 D 4.8962 7.6175 115.5191 54.2222 41.6749 176.4749 18 Y 4.8044 7.3606 114.1609 56.3865 41.3317 176.1660 19 G 3.7037 8.7201 111.7534 46.0123 0.0000 173.4146 *21 P 3.7442 0.0000 0.0000 61.8085 33.7550 176.6599 22 G 3.6470 8.6509 108.5871 44.8321 0.0000 172.9832 23 F 5.1455 8.1073 119.4275 53.9896 38.7068 173.2136 24 P 4.3672 0.0000 0.0000 62.3542 32.1516 175.8225 25 E 4.2935 8.2722 118.4647 55.2081 30.3083 176.8652 26 K 4.2631 8.3927 120.0643 56.5798 30.8961 177.0876 27 K 4.0690 8.4386 124.4837 58.8719 32.8450 177.1670 28 H 4.4436 8.1880 116.3326 55.1341 29.4222 174.9852 29 E 4.1357 8.3287 121.5012 57.2154 30.1164 177.2523 30 H 4.3137 8.7162 119.3892 55.7293 27.0864 174.8616 31 E 4.1749 7.4975 119.9044 56.3961 30.0004 177.2689 32 V 4.3428 8.1851 114.9946 61.3944 34.8007 175.4336 33 Y 5.2400 7.8142 116.2701 56.7743 42.6977 174.0301 34 C 5.0208 8.2333 121.9343 58.3850 34.8040 172.8510 35 F 4.6225 9.2799 124.8201 55.4359 42.1925 173.5361 36 E 4.7894 8.8405 124.8434 54.6520 31.8301 174.8157 37 F 4.6843 9.1284 127.1887 55.4645 38.7038 176.5649 38 K 3.9864 8.5096 123.6475 59.2441 32.4759 179.2895 39 E 4.0245 8.6335 118.1583 59.3182 29.4280 178.8845 40 V 4.3473 7.9981 108.0443 60.3496 32.0835 175.5551 41 S 3.8490 7.8399 114.6048 59.7750 61.2361 171.5902 42 I 5.1708 7.6156 118.9527 59.6294 40.4973 175.2295 43 R 5.2670 9.7913 125.6273 54.4938 33.7636 174.6877 44 I 5.0771 8.8570 123.7072 60.0299 39.7703 174.4783 45 Y 5.4416 9.2558 124.4817 56.3013 41.9323 174.6901 46 Q 5.0483 8.8402 121.6979 54.2258 31.9392 174.4208 47 D 4.9252 9.7454 127.0603 54.6541 41.8085 175.9217 48 K 3.8799 7.8130 120.2098 56.8171 32.6643 177.1759 49 F 4.9151 7.1917 116.7599 57.4010 39.6166 175.5001 50 K 3.8660 8.1310 116.7851 57.9228 28.8724 175.3094 51 W 5.0316 8.1489 117.5121 54.7762 32.8683 176.0803 52 V 4.8657 8.3651 123.5299 60.5544 33.5445 174.4601 53 Y 5.3797 9.3891 120.0901 56.3625 42.4106 174.5063 54 F 5.5184 9.4621 120.4089 55.8605 42.4908 173.7253 55 L 5.2728 9.8393 126.6749 53.2396 44.7616 174.8968 56 S 5.2273 9.0519 120.5879 56.6138 65.6277 172.3353 57 D 5.2166 8.7169 126.8967 52.8119 41.0653 176.5074 58 I 3.6581 8.1436 126.4880 63.1297 37.8170 175.8835 59 G 3.8226 8.1617 106.5901 44.1307 0.0000 172.6329 60 V 4.5384 8.0519 119.3409 61.7910 33.1620 176.5262 61 I 4.5768 7.9242 123.7104 60.0853 40.6173 174.7121 62 D 4.8763 8.6990 124.8908 53.2424 43.6017 177.8146 63 N 3.7652 9.2265 117.0686 54.1600 37.5164 176.2193 64 L 3.8587 8.1400 114.9247 57.5075 41.8645 176.5569 65 D 3.8378 8.3816 110.2680 56.4784 40.8953 179.0019 66 S 4.0454 9.2277 120.5423 62.3324 63.3201 175.1960 67 N 3.5225 7.3201 112.1608 56.2413 39.3662 174.4224 68 A 4.6477 8.2655 118.9286 51.7100 20.3819 177.8450 69 C 3.8084 8.2944 119.1354 62.8072 31.6020 175.7095 70 Q 4.0213 8.2056 118.6867 59.4147 28.2171 178.9150 71 S 4.2864 8.2777 114.4277 61.9022 62.9892 176.1533 72 L 4.0164 8.2430 123.4905 57.5772 41.7429 177.9482 73 L 4.2452 8.3321 118.4831 56.3929 41.9117 177.8812 74 R 4.3957 7.9850 117.4134 57.5671 30.2396 177.2932 75 L 4.2177 8.4494 117.7530 57.1258 41.9044 177.1345 76 N 5.1843 8.1200 115.3403 52.9074 38.6760 174.9225 77 E 4.1373 7.6936 116.6674 56.3748 29.9620 176.9781 78 F 4.0898 8.7532 123.1320 58.3178 40.1820 173.7868 79 N 4.0037 6.0465 120.3554 52.6440 38.9381 173.7729 80 L 4.2504 8.0971 117.6192 54.7500 42.0536 177.3152 81 R 4.3863 7.6783 117.5741 54.7744 31.4813 177.3350 82 T 3.7835 8.4768 111.8510 61.8685 69.2613 173.6759 83 P 3.6844 0.0000 0.0000 63.9655 27.4666 173.0854 84 F 4.1714 7.9850 126.7107 57.1234 40.3281 174.8171 85 F 4.7356 7.5349 126.7878 56.4334 39.8047 175.4533 86 T 4.2373 8.5465 122.0460 62.9603 69.7957 174.0921 87 V 4.6366 8.6040 126.7034 61.4863 32.8446 175.0391 88 G 4.2262 9.0641 114.4780 45.1047 0.0000 169.8653 89 L 5.1568 8.3288 121.0329 52.8398 44.3979 176.6078 90 N 4.4121 9.2257 125.4167 53.6230 40.0925 174.6520 91 E 4.5285 8.6377 116.8630 56.6694 29.4669 178.1035 92 K 4.5638 7.7388 118.9665 56.3697 33.4164 175.8335 93 K 3.8568 8.0046 111.6788 57.8778 30.2846 174.9497 94 D 5.0168 7.7582 116.4234 51.9252 44.1510 176.9234 95 G 4.1756 8.8804 110.5554 47.2934 0.0000 172.6876 96 V 4.8598 8.2188 121.9863 60.3484 35.5464 173.6023 97 V 4.9763 9.0292 124.0483 61.7119 34.8064 173.6105 98 H 6.0936 9.0702 122.3228 53.9934 33.0025 171.7390 99 T 5.0774 8.5452 113.5333 62.9596 73.1396 172.8709 100 R 5.2495 8.4272 117.7842 55.4604 32.7727 174.6143 101 I 4.2826 8.3972 120.6475 59.2243 42.0127 173.0231 102 P 3.0431 0.0000 0.0000 62.0869 31.9211 176.1158 103 L 3.9786 8.0672 121.3901 56.6331 42.4398 176.3001 104 L 3.9079 7.6749 120.1112 56.2293 41.8879 175.6049 105 N 4.1458 8.8435 125.1750 54.7047 37.0451 173.3423 106 L 4.5630 7.7217 117.8446 52.6268 44.3953 175.4860 107 D 4.7751 8.6914 125.1102 52.6307 42.1611 176.5549 108 N 4.4919 8.5975 119.9002 55.7304 37.9498 176.6996 109 V 3.7069 8.1033 118.6210 65.9122 31.8549 178.4750 110 E 4.1553 7.6386 119.7200 56.2497 29.0514 178.8972 *112 R 4.2282 8.2229 116.8875 56.1119 32.3181 178.0685 113 R 3.9295 7.8852 116.5370 59.4849 29.9629 178.8979 114 V 3.6736 8.0439 118.0830 66.3319 31.3443 177.4277 115 F 3.5331 7.8480 119.3429 61.1482 39.2236 176.3000 116 E 3.9457 9.1721 118.0233 59.6848 29.4813 179.2243 117 A 3.9126 8.7820 121.5213 55.4033 18.4121 179.4151 118 L 2.7909 7.8426 118.6965 58.0086 41.9833 178.7635 119 L 3.6939 7.5288 118.8561 57.6514 41.4645 178.8437 120 N 4.1392 8.1244 115.9125 56.6801 38.6107 177.1823 121 L 3.7593 7.6270 121.1333 58.2800 41.9878 179.2252 122 S 4.0990 7.9095 115.1859 61.7957 62.6349 176.1131 123 G 3.6070 8.2247 108.8021 47.1945 0.0000 175.0858 124 E 3.9376 8.4316 122.4021 59.0634 29.8868 179.9568 125 V 3.7950 8.0066 117.9556 65.5982 31.0343 178.0707 126 K 3.9854 8.2232 119.7319 58.9613 32.9537 177.7448 127 K 4.5033 7.9178 118.4620 54.9641 29.6834 175.7076 128 T 4.6629 7.4096 117.1697 64.7474 76.4400 175.5108 129 F 4.5169 8.3503 116.5464 56.1582 39.3712 176.1528 130 G 4.3345 7.8634 115.4957 46.1816 0.0000 173.8852 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 G 8.21 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 2 A 7.51 3.97 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 *4 K 8.94 4.36 0.00 1.95 2.06 0.00 1.88 0.00 0.00 2.07 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.64 7.81 5 N 7.90 4.32 0.00 2.91 2.89 0.00 0.00 6.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.25 4.06 0.00 4.03 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.38 4.29 0.00 3.16 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 8 D 8.51 4.04 0.00 2.88 2.64 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 9 R 7.94 3.87 0.00 1.95 1.96 0.00 3.27 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 10 L 7.88 3.76 0.00 1.69 1.55 0.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.41 3.30 1.47 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 -0.36 0.43 0.00 0.00 12 D 8.52 4.43 0.00 2.66 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 13 G 8.24 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 3.93 0.00 1.45 0.70 0.51 -1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.28 4.54 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 16 K 7.93 3.96 0.00 1.94 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.62 7.81 17 D 7.62 4.90 0.00 2.77 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.36 4.80 0.00 3.17 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 19 G 8.72 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 *21 P 0.00 3.74 0.00 1.35 0.70 0.00 3.49 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.29 0.00 22 G 8.65 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 8.11 5.15 0.00 2.75 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 24 P 0.00 4.37 0.00 2.00 2.02 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.05 0.00 25 E 8.27 4.29 0.00 1.96 1.87 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 2.29 2.33 0.00 26 K 8.39 4.26 0.00 1.72 1.82 0.00 1.70 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 27 K 8.44 4.07 0.00 1.71 1.72 0.00 1.35 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.14 1.36 7.81 28 H 8.19 4.44 0.00 3.17 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.33 4.14 0.00 1.91 1.69 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 1.93 2.17 0.00 30 H 8.72 4.31 0.00 3.37 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.50 4.17 0.00 2.12 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 2.40 2.47 0.00 32 V 8.19 4.34 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 0.62 0.00 0.00 -0.16 0.00 0.00 33 Y 7.81 5.24 0.00 3.08 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 34 C 8.23 5.02 0.00 3.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 9.28 4.62 0.00 3.11 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.84 4.79 0.00 1.84 1.68 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 2.15 2.26 0.00 37 F 9.13 4.68 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.51 3.99 0.00 1.83 1.89 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.47 7.81 39 E 8.63 4.02 0.00 2.27 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 2.48 2.47 0.00 40 V 8.00 4.35 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 1.00 0.00 0.00 1.13 0.00 0.00 41 S 7.84 3.85 0.00 4.05 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 42 I 7.62 5.17 1.94 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.95 1.14 0.00 0.00 43 R 9.79 5.27 0.00 1.85 1.54 0.00 3.13 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 44 I 8.86 5.08 2.20 0.00 0.00 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 1.65 1.42 0.98 0.00 0.00 45 Y 9.26 5.44 0.00 2.88 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 46 Q 8.84 5.05 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 47 D 9.75 4.93 0.00 3.45 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 48 K 7.81 3.88 0.00 1.65 0.76 0.00 1.64 0.00 0.00 1.30 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.95 1.14 7.81 49 F 7.19 4.92 0.00 3.40 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 50 K 8.13 3.87 0.00 2.06 1.92 0.00 1.62 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.45 7.81 51 W 8.15 5.03 0.00 3.27 2.73 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 52 V 8.37 4.87 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 0.79 0.00 0.00 1.02 0.00 0.00 53 Y 9.39 5.38 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.46 5.52 0.00 3.20 3.08 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 55 L 9.84 5.27 0.00 1.94 1.88 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 56 S 9.05 5.23 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.72 5.22 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.66 1.85 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 1.10 0.43 0.89 0.00 0.00 59 G 8.16 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 0.00 0.00 0.00 60 V 8.05 4.54 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 0.91 0.00 0.00 0.99 0.00 0.00 61 I 7.92 4.58 1.92 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 1.44 0.71 1.08 0.00 0.00 62 D 8.70 4.88 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 9.23 3.77 0.00 2.87 2.71 0.00 0.00 6.88 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 64 L 8.14 3.86 0.00 1.90 1.81 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.38 3.84 0.00 2.70 2.46 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 66 S 9.23 4.05 0.00 3.87 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 67 N 7.32 3.52 0.00 2.62 2.92 0.00 0.00 6.77 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 68 A 8.27 4.65 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 69 C 8.29 3.81 0.00 3.22 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 70 Q 8.21 4.02 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 71 S 8.28 4.29 0.00 4.11 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 72 L 8.24 4.02 0.00 2.00 1.93 -0.31 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.33 4.25 0.00 1.67 1.83 0.95 0.90 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 74 R 7.98 4.40 0.00 2.22 2.08 0.00 3.25 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 75 L 8.45 4.22 0.00 1.72 1.68 0.81 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.12 5.18 0.00 2.84 3.05 0.00 0.00 6.95 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 77 E 7.69 4.14 0.00 2.18 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 0.00 2.53 2.39 0.00 78 F 8.75 4.09 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 79 N 6.05 4.00 0.00 2.69 2.66 0.00 0.00 6.07 7.79 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 80 L 8.10 4.25 0.00 1.59 1.65 0.95 0.94 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 81 R 7.68 4.39 0.00 1.92 1.84 0.00 3.33 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 82 T 8.48 3.78 4.19 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 1.18 0.00 0.00 83 P 0.00 3.68 0.00 1.89 2.09 0.00 3.59 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 84 F 7.98 4.17 0.00 2.82 2.88 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 85 F 7.53 4.74 0.00 2.66 2.73 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 86 T 8.55 4.24 4.10 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 0.00 0.00 0.00 1.32 0.00 0.00 87 V 8.60 4.64 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 0.61 0.00 0.00 0.82 0.00 0.00 88 G 9.06 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 89 L 8.33 5.16 0.00 1.61 1.53 0.91 0.90 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 90 N 9.23 4.41 0.00 2.97 2.83 0.00 0.00 6.84 8.27 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 91 E 8.64 4.53 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 2.31 2.33 0.00 92 K 7.74 4.56 0.00 1.79 1.74 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.41 7.81 93 K 8.00 3.86 0.00 1.83 1.85 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.51 7.81 94 D 7.76 5.02 0.00 2.58 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 95 G 8.88 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.22 4.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 97 V 9.03 4.98 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 0.94 0.00 0.00 0.86 0.00 0.00 98 H 9.07 6.09 0.00 3.52 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.55 5.08 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 100 R 8.43 5.25 0.00 1.76 1.76 0.00 3.11 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 101 I 8.40 4.28 1.83 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 1.23 0.64 0.70 0.00 0.00 102 P 0.00 3.04 0.00 1.62 0.68 0.00 3.18 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 103 L 8.07 3.98 0.00 1.87 1.62 0.93 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.67 3.91 0.00 1.58 1.52 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.84 4.15 0.00 2.86 2.84 0.00 0.00 6.94 7.78 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 0.00 106 L 7.72 4.56 0.00 1.53 1.62 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.69 4.78 0.00 2.79 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 0.00 108 N 8.60 4.49 0.00 2.83 3.15 0.00 0.00 5.99 7.68 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 0.00 109 V 8.10 3.71 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 0.94 0.00 0.00 0.92 0.00 0.00 110 E 7.64 4.16 0.00 2.10 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 2.29 2.27 0.00 *112 R 8.22 4.23 0.00 2.17 1.99 0.00 3.34 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 113 R 7.89 3.93 0.00 1.98 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 114 V 8.04 3.67 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 0.65 0.00 0.00 0.95 0.00 0.00 115 F 7.85 3.53 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 116 E 9.17 3.95 0.00 2.16 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 2.62 2.57 0.00 117 A 8.78 3.91 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 0.00 118 L 7.84 2.79 0.00 1.72 1.51 0.59 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.53 3.69 0.00 1.72 1.56 1.06 0.44 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 0.00 120 N 8.12 4.14 0.00 2.75 2.82 0.00 0.00 6.79 6.08 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 0.00 121 L 7.63 3.76 0.00 1.31 1.23 0.79 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.91 4.10 0.00 3.93 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 0.00 123 G 8.22 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.43 3.94 0.00 2.02 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 0.00 2.34 2.52 0.00 125 V 8.01 3.79 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 0.75 0.00 0.00 0.93 0.00 0.00 126 K 8.22 3.99 0.00 2.14 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.59 7.81 127 K 7.92 4.50 0.00 1.78 1.79 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.48 7.81 128 T 7.41 4.66 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 0.92 0.00 0.00 129 F 8.35 4.52 0.00 2.90 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 0.00 130 G 7.86 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.