NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.1893 8.0327 110.9390 61.0218 70.9121 172.7836 4 V 3.6786 7.7487 121.9483 65.4333 31.3050 173.0917 5 G 4.1209 9.5321 118.2697 45.6744 0.0000 173.3047 6 K 4.3929 8.0311 118.9677 55.6756 33.7535 176.7946 7 S 4.8073 8.4367 117.4203 58.3122 63.6973 174.2352 8 A 4.0846 8.9422 126.4938 50.9248 18.6955 176.0896 9 P 4.2743 0.0000 0.0000 62.4257 32.0944 175.8285 10 Y 4.1929 8.5869 122.6327 58.1116 39.0293 175.3163 11 F 4.8381 6.8544 119.3086 55.3253 42.0656 173.6271 12 S 4.8024 8.5240 114.4699 57.1038 64.5827 172.7977 13 L 5.0499 9.0104 127.3805 52.0721 45.8030 174.5227 14 P 5.0840 0.0000 0.0000 62.7612 33.2748 176.2252 15 N 5.9504 8.7610 119.5817 51.2742 39.7837 175.1820 16 E 4.2102 8.9538 116.5089 59.9625 29.4784 178.5219 17 K 4.1211 8.1502 115.7285 57.4560 32.4445 177.7251 18 G 4.0596 8.4823 107.4115 44.7246 0.0000 172.7430 19 E 4.5416 8.6765 121.6531 54.7725 31.2795 175.4769 20 K 4.7646 8.7001 126.0947 56.3711 33.2448 176.2146 21 L 5.0020 9.1552 124.3267 53.2292 45.2256 175.7038 22 S 4.6192 8.3741 116.6597 55.1056 67.2730 175.0445 23 R 3.9630 7.7016 120.8348 59.5774 29.8085 177.4828 24 S 4.3243 7.9640 108.9524 58.9395 63.3140 174.1300 25 A 4.1956 7.8631 125.3747 52.0919 18.6339 178.5129 26 E 3.9582 8.8918 120.5316 59.5850 29.6077 179.8831 27 R 3.7364 7.6823 112.5153 57.6682 29.7376 176.8423 28 F 5.1423 7.0618 116.2646 58.1033 41.1578 176.4496 29 R 4.1094 8.0355 116.3066 56.9021 30.0619 175.5058 30 N 4.1235 8.7201 115.7203 54.5461 37.4018 173.3880 31 R 5.2478 7.1269 113.7244 53.7676 35.8023 175.4640 32 Y 4.2880 8.8488 119.3616 58.2804 39.2225 175.0857 33 L 4.8681 8.9775 125.5611 53.1639 45.3193 174.7994 34 L 4.7691 8.3173 129.6420 54.0443 42.8268 175.5403 35 L 4.6251 8.9533 128.1897 53.2986 43.4911 175.3676 36 N 5.3487 9.0793 122.1591 51.1793 39.6987 173.6448 37 F 4.9818 9.5334 124.1402 56.3660 40.8357 175.1201 38 W 5.3032 8.8037 119.1175 56.1017 32.1100 172.7912 39 A 3.8182 8.0063 119.6058 50.1390 21.1484 177.8217 40 S 4.2665 8.5566 115.6167 60.7602 63.1549 175.6088 41 W 4.6227 7.6029 115.8609 57.5398 28.8020 176.2939 42 C 4.7618 7.6181 119.2015 58.0728 31.6330 173.0896 43 D 4.8935 7.6867 123.8751 52.0381 41.1617 173.4037 44 P 4.4094 0.0000 0.0000 64.0286 32.8526 176.6170 45 Q 4.5386 7.7750 118.6555 53.4643 29.7823 174.2331 46 P 4.3061 0.0000 0.0000 65.5755 31.3702 178.4793 47 E 4.0427 8.2803 116.5563 58.7999 28.8363 179.0361 48 A 3.9891 7.8034 120.8292 55.4155 18.5428 179.4754 49 N 4.3611 8.1163 114.2061 56.2582 38.6190 177.3912 50 A 4.0541 8.1112 122.5420 55.1747 18.5100 179.5481 51 E 3.8915 8.3499 116.1232 59.4727 29.5273 179.4661 52 L 3.8073 7.6601 119.4304 57.3453 41.6412 179.3290 53 K 4.0519 8.6395 118.8262 59.6819 31.9295 179.5015 54 R 3.8954 8.2338 118.3164 59.2979 30.0135 179.1455 55 L 3.9934 7.9242 118.7323 57.7063 41.3688 179.0023 56 N 4.3363 8.0709 116.3709 56.5083 38.8526 176.5476 57 K 4.0898 8.0314 120.9211 59.6362 32.1567 178.4493 58 E 3.7993 8.2196 118.3778 58.4318 29.1812 176.8843 59 Y 4.7287 7.6645 115.1767 57.4116 38.4659 177.8038 60 K 4.2066 7.7956 122.1378 59.6314 32.6691 177.9953 61 K 4.2198 7.9896 116.4430 56.7133 32.5122 175.8649 62 N 4.7176 8.2677 119.9647 52.6942 39.0418 175.5793 63 K 4.3330 8.7430 124.9067 58.0848 32.7589 176.7401 64 N 5.0322 8.9069 118.4076 53.2433 39.8521 173.6253 65 F 5.4943 8.1100 116.7701 56.6439 42.8038 174.0536 66 A 4.0162 7.9419 125.8483 50.7795 22.8599 173.7993 *68 L 4.5112 8.5796 115.9236 55.2823 43.7676 177.4284 69 G 4.5662 9.1825 114.5212 45.7407 0.0000 172.1480 70 I 4.8240 8.7871 126.5638 59.5296 39.5228 174.6217 71 S 4.2055 8.3790 122.5780 56.3068 63.8662 173.4428 72 L 4.5294 7.9418 125.4325 54.7290 42.7200 176.6501 73 D 4.9392 7.7850 119.7626 54.7268 41.1627 177.0986 74 I 4.6007 8.4095 112.5347 60.2491 39.0203 175.2350 75 D 4.8211 8.0055 120.8033 52.0610 43.7553 175.4601 76 R 4.4637 8.5723 127.3564 59.7512 30.0892 177.9394 77 E 4.0074 8.8521 119.0235 59.1933 29.6940 178.5500 78 A 4.1121 8.4472 120.4334 54.7876 18.4314 179.2005 79 W 4.3678 8.4982 126.8893 61.0222 30.9416 178.1533 80 E 3.6602 8.5961 118.4943 59.4245 28.7568 179.5973 81 T 3.8407 8.1873 115.6536 66.6655 68.5864 176.5443 82 A 4.0710 8.1223 122.6314 55.1475 18.3457 179.5645 83 I 3.3294 7.8994 118.4276 64.3080 37.1268 178.6249 84 K 3.7655 7.9876 120.1540 59.3204 31.8971 178.4628 85 K 3.7268 7.9375 119.3759 59.4583 31.9792 176.8436 86 D 4.5715 7.9181 114.4588 53.4597 41.5931 176.5380 87 T 3.3233 7.2313 115.1000 64.6515 66.0521 174.2029 88 L 3.4153 7.5313 121.3093 52.9428 40.5816 177.4829 89 S 4.0679 7.7052 118.7997 60.5836 63.3610 174.9979 90 W 4.5645 7.7537 116.3702 55.3958 29.0695 175.0465 91 D 4.6345 8.8283 117.8530 55.1813 41.2556 176.1169 92 Q 5.0034 8.7303 119.8367 54.5624 32.7008 174.6034 93 V 4.8541 9.0294 117.1416 60.0366 35.9408 174.3322 94 C 4.2418 8.0047 119.2072 58.4907 34.3480 173.2841 95 D 4.6000 8.2773 124.1013 52.6557 39.5119 176.1079 96 F 4.4412 7.3537 115.9134 59.4410 35.9922 175.7345 97 T 4.2649 7.9844 112.1469 61.0212 70.6387 175.7473 98 G 4.5025 7.8999 110.5831 45.2469 0.0000 175.0207 99 L 4.0914 8.7935 119.9313 57.6442 41.7856 177.8920 100 S 4.6016 7.9033 111.2654 57.9820 63.5330 174.4025 101 S 4.3632 8.1572 117.6704 58.8529 63.1977 174.8005 102 E 4.0192 8.8324 128.9162 59.5209 29.5968 178.7398 103 T 4.0580 8.0770 115.2800 66.7903 68.4540 176.1652 104 A 3.7950 8.1639 122.4824 54.8690 18.4507 179.6344 105 K 3.8662 7.9486 117.7478 59.8645 32.1045 179.1614 106 Q 4.0545 8.4116 117.5081 58.6731 28.6642 177.3492 107 Y 4.0503 8.0023 114.9645 56.5802 38.7791 174.9972 108 A 3.6343 7.7061 121.9122 53.0457 16.6378 178.3970 109 I 3.9891 7.8482 122.0295 61.1633 37.7243 176.4365 110 L 4.5160 8.4504 125.4784 55.1882 43.3740 176.2140 111 T 4.7966 7.5127 105.9564 59.7357 72.0618 172.5486 112 L 4.8261 8.1059 120.5744 52.1070 44.8602 174.9338 113 P 4.9113 0.0000 0.0000 62.9884 32.9272 175.5148 114 T 4.7427 8.8625 117.0574 62.0858 72.7365 172.5757 115 N 5.4778 8.8451 122.9479 51.9814 41.2601 173.9525 116 I 5.0754 8.7915 123.1958 59.4747 41.3067 173.8996 117 L 5.0752 9.1242 129.5187 53.4991 44.0029 174.9870 118 L 5.3749 9.2745 126.8869 52.9594 44.8665 176.7138 119 S 4.4808 8.9498 117.4498 56.6346 64.2673 173.4848 120 P 4.4580 0.0000 0.0000 64.8869 30.9948 177.5311 121 T 4.2712 7.8057 106.1040 61.4065 69.0102 175.3746 122 G 3.9518 8.6504 110.0553 45.9625 0.0000 173.9093 123 K 4.5648 7.6759 119.3143 55.7750 32.9453 176.3058 124 I 4.4022 8.5567 124.3689 61.6353 37.2614 176.5374 125 L 4.4634 8.7828 127.5917 56.3596 43.0154 176.9222 126 A 4.7141 7.7811 117.2448 51.4691 22.2548 175.6887 127 R 4.9499 8.4724 114.9495 56.0314 32.2609 174.0042 128 D 4.4705 8.5776 116.6592 55.4664 38.7732 173.8342 129 I 4.4521 7.7735 111.2427 59.4018 39.5070 174.4935 130 Q 4.7202 7.8879 120.7398 54.5050 33.8657 176.0211 131 G 3.7032 9.1226 107.9559 46.6732 0.0000 176.4667 132 E 3.9891 9.0166 121.2454 58.5806 29.1942 178.5008 133 A 4.0190 8.0262 120.5015 54.6454 18.3933 179.1581 134 L 3.8259 7.6179 118.8947 58.4076 42.2859 179.1562 135 T 4.0003 8.1891 110.1782 64.6112 68.7103 176.7334 136 G 3.6305 8.3701 110.3226 46.7770 0.0000 175.4819 137 K 3.8346 7.4777 122.0358 59.3160 32.2219 178.8892 138 L 3.6473 7.8418 119.1132 57.5043 41.2384 179.3310 139 K 4.0392 7.9836 120.2636 58.8577 32.0987 178.1340 140 E 4.0133 7.8722 119.0087 58.9643 29.6207 178.2713 141 L 3.9642 7.2323 117.7962 56.2212 41.8742 176.8736 142 L 4.1024 7.3773 122.5269 54.6475 41.7265 176.1142 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 3 T 8.03 4.19 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 1.16 0.00 0.00 4 V 7.75 3.68 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 0.84 0.00 0.00 0.95 0.00 0.00 5 G 9.53 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 0.00 0.00 0.00 6 K 8.03 4.39 0.00 1.78 1.72 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.55 7.81 7 S 8.44 4.81 0.00 3.74 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 8 A 8.94 4.08 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 1.93 1.99 0.00 2.38 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 10 Y 8.59 4.19 0.00 2.92 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 11 F 6.85 4.84 0.00 3.02 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 12 S 8.52 4.80 0.00 3.77 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 13 L 9.01 5.05 0.00 1.63 1.42 0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 5.08 0.00 2.23 2.24 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.03 0.00 15 N 8.76 5.95 0.00 3.21 3.17 0.00 0.00 6.87 7.18 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 16 E 8.95 4.21 0.00 1.93 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 1.47 2.08 0.00 17 K 8.15 4.12 0.00 1.96 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 18 G 8.48 4.06 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 0.00 0.00 0.00 19 E 8.68 4.54 0.00 2.10 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 2.30 2.31 0.00 20 K 8.70 4.76 0.00 1.74 1.79 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.52 7.81 21 L 9.16 5.00 0.00 1.79 1.89 1.15 0.67 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 22 S 8.37 4.62 0.00 3.68 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.96 0.00 1.51 1.85 0.00 3.28 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 24 S 7.96 4.32 0.00 4.04 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 25 A 7.86 4.20 1.27 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 0.00 0.00 0.00 26 E 8.89 3.96 0.00 1.94 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 2.38 2.24 0.00 27 R 7.68 3.74 0.00 1.63 1.80 0.00 2.32 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.50 0.00 28 F 7.06 5.14 0.00 3.05 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 29 R 8.04 4.11 0.00 1.95 2.02 0.00 3.46 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 30 N 8.72 4.12 0.00 2.79 2.86 0.00 0.00 6.80 7.65 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 31 R 7.13 5.25 0.00 1.89 1.90 0.00 3.57 0.00 0.00 3.52 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.79 0.00 32 Y 8.85 4.29 0.00 3.30 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 33 L 8.98 4.87 0.00 1.67 1.45 0.52 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.32 4.77 0.00 1.88 1.45 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.95 4.63 0.00 1.49 1.01 0.52 -0.04 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 36 N 9.08 5.35 0.00 2.81 3.01 0.00 0.00 6.58 7.91 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 37 F 9.53 4.98 0.00 3.01 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 38 W 8.80 5.30 0.00 3.49 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 39 A 8.01 3.82 -0.04 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 40 S 8.56 4.27 0.00 4.19 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 0.00 41 W 7.60 4.62 0.00 3.47 3.22 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 0.00 42 C 7.62 4.76 0.00 2.47 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 0.00 0.00 0.00 0.00 43 D 7.69 4.89 0.00 2.92 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 44 P 0.00 4.41 0.00 2.25 2.20 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 45 Q 7.78 4.54 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 46 P 0.00 4.31 0.00 2.16 2.11 0.00 3.61 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 47 E 8.28 4.04 0.00 1.98 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 2.40 2.33 0.00 48 A 7.80 3.99 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 49 N 8.12 4.36 0.00 2.76 2.87 0.00 0.00 6.91 7.23 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 50 A 8.11 4.05 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 51 E 8.35 3.89 0.00 2.20 2.30 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 2.47 2.32 0.00 52 L 7.66 3.81 0.00 1.80 1.10 0.96 0.98 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 53 K 8.64 4.05 0.00 1.96 1.96 0.00 1.87 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.75 1.95 7.81 54 R 8.23 3.90 0.00 1.97 1.94 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 55 L 7.92 3.99 0.00 1.79 1.81 0.89 0.46 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 56 N 8.07 4.34 0.00 2.37 3.02 0.00 0.00 7.20 7.47 0.00 0.00 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 8.03 4.09 0.00 2.00 1.92 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 58 E 8.22 3.80 0.00 1.77 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 1.47 1.78 0.00 59 Y 7.66 4.73 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 60 K 7.80 4.21 0.00 1.93 2.25 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.46 7.81 61 K 7.99 4.22 0.00 1.80 1.93 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 62 N 8.27 4.72 0.00 2.93 3.04 0.00 0.00 7.13 6.02 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 63 K 8.74 4.33 0.00 1.85 1.90 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 64 N 8.91 5.03 0.00 2.95 2.92 0.00 0.00 6.42 8.51 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 65 F 8.11 5.49 0.00 2.91 2.91 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 0.00 0.00 0.00 66 A 7.94 4.02 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 *68 L 8.58 4.51 0.00 1.30 1.21 1.13 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.18 4.57 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 70 I 8.79 4.82 0.77 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.06 0.53 0.00 0.00 71 S 8.38 4.21 0.00 2.99 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 72 L 7.94 4.53 0.00 1.47 1.81 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.79 4.94 0.00 2.23 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 74 I 8.41 4.60 1.91 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 1.31 0.71 0.93 0.00 0.00 75 D 8.01 4.82 0.00 2.82 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 76 R 8.57 4.46 0.00 1.53 1.90 0.00 3.20 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.24 0.00 77 E 8.85 4.01 0.00 2.12 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 0.00 2.36 2.36 0.00 78 A 8.45 4.11 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 79 W 8.50 4.37 0.00 3.48 3.62 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 80 E 8.60 3.66 0.00 2.05 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 2.17 2.71 0.00 81 T 8.19 3.84 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 1.24 0.00 0.00 82 A 8.12 4.07 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 0.00 0.00 0.00 0.00 0.00 83 I 7.90 3.33 1.69 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.62 0.00 0.00 84 K 7.99 3.77 0.00 1.71 1.84 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.53 7.81 85 K 7.94 3.73 0.00 1.78 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 86 D 7.92 4.57 0.00 2.50 2.56 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 87 T 7.23 3.32 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 1.14 0.00 0.00 88 L 7.53 3.42 0.00 0.93 0.44 0.56 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.71 4.07 0.00 4.04 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 90 W 7.75 4.56 0.00 3.35 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 91 D 8.83 4.63 0.00 2.99 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 92 Q 8.73 5.00 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.23 1.97 0.00 93 V 9.03 4.85 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 0.91 0.00 0.00 0.85 0.00 0.00 94 C 8.00 4.24 0.00 1.23 1.18 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 95 D 8.28 4.60 0.00 2.76 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 96 F 7.35 4.44 0.00 3.19 3.18 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 97 T 7.98 4.26 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 1.27 0.00 0.00 98 G 7.90 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 0.00 0.00 0.00 99 L 8.79 4.09 0.00 1.63 1.79 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 100 S 7.90 4.60 0.00 3.97 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 0.00 101 S 8.16 4.36 0.00 3.89 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 0.00 102 E 8.83 4.02 0.00 2.15 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 2.42 2.69 0.00 103 T 8.08 4.06 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 1.28 0.00 0.00 104 A 8.16 3.79 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 0.00 105 K 7.95 3.87 0.00 1.88 1.95 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 106 Q 8.41 4.05 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 107 Y 8.00 4.05 0.00 2.86 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 0.00 108 A 7.71 3.63 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 0.00 109 I 7.85 3.99 1.50 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.63 0.00 0.00 110 L 8.45 4.52 0.00 1.59 1.68 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.51 4.80 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 1.22 0.00 0.00 112 L 8.11 4.83 0.00 1.46 1.46 0.38 1.00 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 0.00 113 P 0.00 4.91 0.00 2.15 2.14 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 114 T 8.86 4.74 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 1.27 0.00 0.00 115 N 8.85 5.48 0.00 2.80 2.75 0.00 0.00 6.90 7.48 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 0.00 116 I 8.79 5.08 2.00 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 1.33 1.19 1.11 0.00 0.00 117 L 9.12 5.08 0.00 1.79 1.58 1.10 0.36 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 0.00 118 L 9.27 5.37 0.00 1.70 1.59 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.95 4.48 0.00 3.87 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 0.00 120 P 0.00 4.46 0.00 1.88 2.13 0.00 3.27 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.25 0.00 121 T 7.81 4.27 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 1.18 0.00 0.00 122 G 8.65 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 0.00 123 K 7.68 4.56 0.00 1.84 1.75 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 124 I 8.56 4.40 2.06 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 1.37 0.75 0.98 0.00 0.00 125 L 8.78 4.46 0.00 1.61 1.78 1.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.78 4.71 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 0.00 127 R 8.47 4.95 0.00 1.91 1.91 0.00 3.18 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 128 D 8.58 4.47 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 0.00 129 I 7.77 4.45 1.87 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 1.44 0.61 0.97 0.00 0.00 130 Q 7.89 4.72 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.95 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 131 G 9.12 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 0.00 132 E 9.02 3.99 0.00 2.08 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 0.00 2.36 2.28 0.00 133 A 8.03 4.02 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 0.00 134 L 7.62 3.83 0.00 1.72 1.84 0.91 1.20 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 0.00 135 T 8.19 4.00 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 1.19 0.00 0.00 136 G 8.37 3.63 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 0.00 137 K 7.48 3.83 0.00 1.80 1.92 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.46 7.81 138 L 7.84 3.65 0.00 1.53 1.05 0.66 0.03 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 0.00 139 K 7.98 4.04 0.00 1.87 1.95 0.00 1.63 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.33 7.81 140 E 7.87 4.01 0.00 2.10 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 2.28 2.34 0.00 141 L 7.23 3.96 0.00 1.04 0.56 0.76 1.36 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 0.00 142 L 7.38 4.10 0.00 1.38 1.36 -0.64 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.