NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.0130 8.3027 121.4461 55.9834 30.5029 175.5339 16 R 2.7527 7.2434 118.2565 59.1389 31.4962 172.7731 17 E 4.4206 8.4949 115.3164 56.7800 30.8982 177.5403 18 G 3.9280 7.9738 106.3002 44.1897 0.0000 175.0550 19 I 3.7054 8.4546 123.1450 64.5334 36.6112 178.1164 20 L 3.9672 7.9681 120.4952 58.2487 41.9973 178.5643 21 F 4.2390 8.2182 119.7788 62.0410 39.3780 176.7475 22 T 3.8454 8.4603 115.7417 66.8236 68.1359 176.4489 23 T 3.8402 8.5156 118.2200 66.8445 68.5602 175.6264 24 L 4.0690 7.5639 122.9929 57.1621 41.9951 178.1226 25 E 3.8259 8.1805 117.5602 59.6111 29.5490 179.5830 26 K 3.5881 8.3400 119.7066 59.5255 32.5809 178.9855 27 L 3.9954 7.6236 121.7455 57.6111 41.9827 178.9518 28 V 3.5409 8.4054 118.4312 65.8965 31.4751 177.5455 29 A 4.0283 8.8447 121.6474 55.3092 18.0270 179.1315 30 W 4.2033 8.0243 124.9822 61.0680 30.8733 177.9777 31 G 3.8202 8.2085 105.2563 47.6416 0.0000 175.3930 32 R 4.3496 8.6658 123.1117 57.0192 29.9330 178.5162 33 S 3.8997 7.9656 112.4024 61.1966 62.4716 174.5715 34 N 4.7233 8.1821 116.6620 52.7404 39.1351 175.0725 35 S 4.6892 7.3206 115.0641 58.0117 63.8674 173.7534 36 L 4.5832 7.7998 120.7166 54.7911 42.2918 176.9925 37 W 5.3245 10.0627 135.0000 54.4396 31.2377 170.8037 38 P 4.3394 0.0000 0.0000 62.8368 31.7360 176.1113 39 A 4.5541 8.4288 127.9963 49.2399 18.5358 174.0634 40 T 3.7645 8.0003 114.2378 61.9070 68.5320 173.8335 41 F 5.1851 9.0305 129.8416 56.8116 38.5905 174.0597 42 G 3.5427 7.9624 107.7539 47.1911 0.0000 170.9271 43 L 4.4895 9.0575 117.7208 54.2271 43.7427 180.2149 44 A 4.5643 8.2509 133.8706 52.0033 18.7704 180.3087 45 C 3.9857 8.9519 108.6195 63.3299 29.8151 176.2370 46 C 4.0050 8.3375 117.2708 62.6533 27.4120 175.4799 47 A 3.9395 7.6715 121.0450 55.6778 17.8980 179.4274 48 I 3.9023 7.7412 117.6941 63.9639 37.1738 177.6267 49 E 4.1487 8.0829 118.0995 57.5401 30.0719 176.5268 50 M 4.3318 7.9370 115.1819 56.7264 32.0166 177.6214 51 M 4.2140 7.6481 119.0233 57.0770 32.4038 177.0799 52 A 4.4953 7.8871 120.8202 52.3072 18.6430 177.6538 53 S 4.6375 7.5689 110.5543 59.6652 64.2526 175.1693 54 T 4.2628 7.3167 119.1707 62.5052 67.1536 176.0895 55 D 4.6238 7.6531 120.3393 52.7779 41.7799 174.7709 56 A 4.5251 7.9570 133.9554 51.0374 20.6963 174.9837 *74 Q 4.2008 8.2970 113.4530 56.2456 30.0635 173.9740 75 A 5.0445 8.2895 120.0683 50.8078 21.6449 174.7307 76 D 4.8596 8.1605 118.9052 51.8813 43.3111 174.4721 77 V 3.9037 8.4946 117.3672 63.9498 28.9837 169.3052 78 M 4.9689 8.6423 119.5107 53.1983 33.5830 175.9376 79 I 4.5895 8.3964 123.6329 59.9517 39.5592 174.6078 80 V 4.3717 8.8796 128.0964 61.7101 32.8944 174.3886 81 A 4.6415 9.4583 130.1432 50.7230 20.0911 175.4754 82 G 4.2258 8.2131 107.8525 43.5093 0.0000 170.3778 83 R 3.9021 7.7907 117.4962 55.8959 29.9051 176.9800 84 L 4.2169 8.4698 127.7009 53.4930 41.8262 175.6995 85 S 4.4163 8.2938 120.0033 57.9488 63.2568 174.9728 86 K 3.9826 8.2963 123.4338 59.1409 31.7992 179.5067 87 K 4.0915 7.8950 119.0760 59.3447 32.4702 177.9558 88 M 4.2075 7.9671 117.8829 58.3394 32.3787 176.8335 89 A 3.8122 8.2363 119.9596 55.2071 18.4648 177.2834 90 P 4.2045 0.0000 0.0000 65.9816 31.1714 178.8395 91 V 3.5060 7.8600 117.5639 66.1755 31.3599 177.4292 92 M 3.7436 8.2501 116.1576 59.4120 31.9966 177.1402 93 R 3.8861 8.0638 117.7704 59.4399 29.9524 178.1718 94 R 3.7843 8.4080 117.7400 59.6962 30.1727 178.9546 95 V 3.6414 7.6020 116.3323 64.4137 31.2621 177.5630 96 W 4.3263 9.1091 129.4900 60.4102 30.6346 177.5804 97 E 3.6802 8.5451 116.6857 59.0698 29.6012 177.5922 98 Q 4.2521 7.5517 119.5275 56.2470 28.8042 174.2244 99 M 4.7887 7.0945 115.3124 52.3741 36.4285 173.7945 100 P 4.3167 0.0000 0.0000 62.6795 32.3004 176.0048 101 D 4.2464 8.5887 123.2451 56.9175 41.6070 176.4959 102 P 4.1947 0.0000 0.0000 61.6644 28.7750 174.4692 103 K 4.5622 6.7410 119.6183 54.5721 36.7253 175.4418 104 W 5.4765 8.5450 118.2955 55.4763 34.5107 174.3648 105 V 5.2390 8.9829 119.6441 60.7001 34.4810 173.7533 106 I 4.9805 8.5523 128.1962 59.4429 40.5929 174.4165 107 S 4.8199 8.7551 122.4806 57.0498 64.5281 172.9711 108 M 4.3906 9.4716 127.3180 55.7180 32.8619 177.1469 109 G 3.8027 8.8951 115.9832 44.6470 0.0000 172.6968 110 A 3.6785 8.7715 117.4688 55.9525 18.3269 181.4555 111 C 3.6237 7.9682 114.5278 61.6139 29.6491 176.0189 112 A 4.0600 8.0278 122.0659 55.2209 18.1332 179.0643 113 S 4.2537 7.6790 110.3973 60.9997 63.5191 176.9889 114 S 5.0923 7.8573 115.3532 56.7478 65.6420 176.2622 115 G 4.4306 8.0183 103.7433 45.0468 0.0000 174.6595 116 G 3.9046 8.3593 109.2792 46.9760 0.0000 175.1229 117 M 4.3808 8.3024 120.6234 54.8077 31.4774 176.6638 118 F 4.5891 7.7865 119.2823 56.3350 39.5490 173.2786 119 N 4.7118 8.3466 121.4839 52.3373 38.0869 174.2319 120 N 4.7770 8.1675 119.3811 51.7955 39.7100 175.1101 121 Y 4.2300 9.2920 116.8723 60.1125 38.2910 177.9532 122 A 3.5965 6.9223 122.9257 54.0750 18.6242 177.0613 123 I 4.6292 6.7113 112.8378 59.1240 39.9122 175.5936 124 V 3.9260 7.6716 122.2782 62.5491 32.1286 176.7752 125 Q 4.0842 8.6460 125.0010 58.5781 29.1257 175.6437 126 N 5.2693 7.9899 113.2535 53.5952 41.0958 174.5915 127 V 3.1138 8.7341 127.8549 66.2707 31.5990 177.0573 128 D 4.9920 8.7517 116.5424 55.3141 40.8989 176.6857 129 S 4.4328 8.6097 114.4480 60.5858 63.3923 174.4814 130 V 4.1161 7.9840 111.4267 62.2568 33.8184 175.9843 131 V 3.3070 7.0515 112.2774 57.9814 33.3186 173.5877 132 P 4.5291 0.0000 0.0000 62.9762 31.5812 175.8351 133 V 4.0951 9.0380 123.6742 61.7684 32.7092 174.9366 134 D 4.8349 8.9370 125.9571 55.4561 42.7434 177.3794 135 V 4.4314 7.3186 117.8355 61.5341 34.8676 173.5486 136 Y 5.3941 9.1749 125.5598 55.9391 39.8893 175.4139 137 V 4.4945 8.8293 123.6024 58.2882 33.8589 175.7934 138 P 4.5014 0.0000 0.0000 62.9154 28.9965 174.8507 139 G 4.1227 7.5227 106.9663 45.3792 0.0000 172.5923 140 C 5.3711 7.7826 115.3844 58.5297 32.8133 170.8748 141 P 4.8318 0.0000 0.0000 60.0545 33.2656 174.6720 142 P 4.3647 0.0000 0.0000 62.3253 32.1527 176.2489 143 R 3.9423 8.5742 120.5498 55.9943 31.0744 175.2313 144 P 4.2261 0.0000 0.0000 66.2805 31.3536 178.5244 145 E 3.9252 8.3965 116.1838 59.6274 29.3284 179.1983 146 A 3.9933 8.0474 120.5116 55.3102 18.4850 179.3333 147 L 3.9368 8.1836 118.9616 58.7992 42.1034 178.6593 148 I 3.6357 7.8065 119.0414 64.5855 37.1463 177.1754 149 Y 4.0769 8.5670 120.1914 60.8493 38.6071 178.9046 150 A 4.0174 7.9700 121.4955 55.4344 17.9680 180.1031 151 V 3.5458 7.7201 110.6855 64.5587 31.4333 178.6048 152 M 4.1838 7.8931 118.6851 58.5197 31.5227 178.5895 153 Q 3.5717 7.3540 118.0140 58.7828 29.4087 177.6124 154 L 3.9451 7.5847 121.3428 58.1693 41.9184 178.2650 155 Q 3.6663 9.0097 119.7095 59.3664 28.7787 178.3707 156 K 4.0219 8.7143 118.6864 57.7043 32.0170 178.4139 157 K 4.1233 7.3222 120.3797 58.4273 32.7829 178.3561 158 V 3.7572 7.6720 111.8049 64.5141 31.3652 178.5948 159 R 4.1088 7.6911 116.8327 58.4304 30.4327 177.8982 160 G 4.0826 8.1659 106.0340 45.3476 0.0000 174.5721 161 Q 4.3202 7.2991 113.8460 56.8581 28.5264 176.7064 162 A 4.2763 7.5442 121.2834 49.9320 19.0615 173.9164 163 Y 4.7727 7.0791 117.9617 55.6106 40.1579 175.7433 164 N 4.8341 8.8355 118.5443 54.6909 42.4138 174.6977 165 E 3.8165 8.3909 118.3800 57.5903 28.4315 177.2135 166 R 3.8370 8.9863 119.6019 57.9593 31.2037 176.0362 167 G 4.0887 9.0082 104.9868 46.1129 0.0000 173.4750 168 E 4.4044 7.7090 117.9165 54.7683 30.7931 176.2673 169 R 4.2013 8.3178 121.2223 56.0906 30.6172 176.1413 170 L 4.6089 8.6120 123.6405 52.3820 42.9701 174.9983 171 P 4.5601 0.0000 0.0000 62.4034 31.8885 174.5792 172 P 4.7291 0.0000 0.0000 64.2046 31.9204 176.2884 173 V 4.4171 7.6363 110.3050 59.4373 34.0475 174.9717 174 A 4.4378 8.8519 121.9217 52.7484 19.4307 176.1340 175 A 4.1524 8.7491 122.6430 52.3678 18.8532 177.3351 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 15 E 8.30 4.01 0.00 1.94 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 2.21 2.21 0.00 16 R 7.24 2.75 0.00 1.78 1.69 0.00 3.56 0.00 0.00 3.48 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 17 E 8.49 4.42 0.00 2.03 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 2.37 2.36 0.00 18 G 7.97 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 19 I 8.45 3.71 1.89 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 1.54 0.65 0.92 0.00 0.00 20 L 7.97 3.97 0.00 1.79 1.71 0.94 0.93 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 21 F 8.22 4.24 0.00 3.11 3.31 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 22 T 8.46 3.85 4.52 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 1.23 0.00 0.00 23 T 8.52 3.84 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 24 L 7.56 4.07 0.00 1.95 1.47 0.90 0.77 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 25 E 8.18 3.83 0.00 2.12 1.84 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 2.36 2.28 0.00 26 K 8.34 3.59 0.00 2.07 2.26 0.00 1.23 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.62 7.81 27 L 7.62 4.00 0.00 2.00 1.77 0.75 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.41 3.54 2.18 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 0.96 0.00 0.00 0.93 0.00 0.00 29 A 8.84 4.03 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 30 W 8.02 4.20 0.00 3.51 3.27 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 31 G 8.21 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 32 R 8.67 4.35 0.00 1.93 2.05 0.00 3.51 0.00 0.00 3.39 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 33 S 7.97 3.90 0.00 3.74 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 34 N 8.18 4.72 0.00 2.55 2.74 0.00 0.00 6.99 7.59 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 35 S 7.32 4.69 0.00 4.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.80 4.58 0.00 1.65 1.64 0.65 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 37 W 10.06 5.32 0.00 3.27 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 38 P 0.00 4.34 0.00 1.77 1.95 0.00 3.49 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 1.98 2.11 0.00 39 A 8.43 4.55 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 40 T 8.00 3.76 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 1.17 0.00 0.00 41 F 9.03 5.19 0.00 3.02 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 42 G 7.96 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 43 L 9.06 4.49 0.00 1.27 1.27 0.77 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.25 4.56 1.09 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 0.00 0.00 45 C 8.95 3.99 0.00 3.11 3.23 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 46 C 8.34 4.00 0.00 3.01 3.02 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 47 A 7.67 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.74 3.90 2.00 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 1.39 0.54 0.90 0.00 0.00 49 E 8.08 4.15 0.00 1.90 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 2.28 2.35 0.00 50 M 7.94 4.33 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 51 M 7.65 4.21 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.46 0.00 52 A 7.89 4.50 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 53 S 7.57 4.64 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.32 4.26 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 1.17 0.00 0.00 55 D 7.65 4.62 0.00 2.59 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 56 A 7.96 4.53 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 *74 Q 8.30 4.20 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 75 A 8.29 5.04 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 76 D 8.16 4.86 0.00 3.13 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 77 V 8.49 3.90 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 1.04 0.00 0.00 1.20 0.00 0.00 78 M 8.64 4.97 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 79 I 8.40 4.59 1.90 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 1.26 0.78 0.93 0.00 0.00 80 V 8.88 4.37 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 0.93 0.00 0.00 1.03 0.00 0.00 81 A 9.46 4.64 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 82 G 8.21 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 83 R 7.79 3.90 0.00 1.62 1.75 0.00 2.41 0.00 0.00 2.90 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 84 L 8.47 4.22 0.00 1.68 1.59 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.29 4.42 0.00 3.84 3.66 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 0.00 0.00 0.00 0.00 86 K 8.30 3.98 0.00 1.74 1.85 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.40 7.81 87 K 7.90 4.09 0.00 1.74 1.82 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 88 M 7.97 4.21 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 89 A 8.24 3.81 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 90 P 0.00 4.20 0.00 2.29 2.37 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 91 V 7.86 3.51 2.39 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 1.04 0.00 0.00 0.97 0.00 0.00 92 M 8.25 3.74 0.00 2.19 2.63 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.69 0.00 93 R 8.06 3.89 0.00 1.99 2.05 0.00 3.43 0.00 0.00 3.27 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 94 R 8.41 3.78 0.00 2.05 2.01 0.00 3.18 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 95 V 7.60 3.64 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 0.56 0.00 0.00 0.76 0.00 0.00 96 W 9.11 4.33 0.00 3.33 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.55 3.68 0.00 1.99 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 2.54 2.79 0.00 98 Q 7.55 4.25 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 99 M 7.09 4.79 0.00 1.81 1.63 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.35 0.00 100 P 0.00 4.32 0.00 2.11 2.00 0.00 3.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 101 D 8.59 4.25 0.00 2.52 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 0.00 102 P 0.00 4.19 0.00 2.02 1.93 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 103 K 6.74 4.56 0.00 1.60 1.66 0.00 0.80 0.00 0.00 1.20 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.20 7.81 104 W 8.55 5.48 0.00 3.41 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.98 5.24 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 1.21 0.00 0.00 1.07 0.00 0.00 106 I 8.55 4.98 1.90 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 1.41 0.74 0.92 0.00 0.00 107 S 8.76 4.82 0.00 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 9.47 4.39 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 109 G 8.90 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 0.00 0.00 0.00 110 A 8.77 3.68 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 3.62 0.00 3.03 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 0.00 112 A 8.03 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.68 4.25 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 0.00 114 S 7.86 5.09 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.02 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 0.00 0.00 0.00 0.00 116 G 8.36 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.30 4.38 0.00 1.79 1.80 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.00 118 F 7.79 4.59 0.00 2.99 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 0.00 119 N 8.35 4.71 0.00 2.71 2.83 0.00 0.00 7.03 8.00 0.00 0.00 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 N 8.17 4.78 0.00 2.96 3.01 0.00 0.00 5.90 7.57 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 0.00 121 Y 9.29 4.23 0.00 3.15 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 0.00 122 A 6.92 3.60 0.70 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 0.00 123 I 6.71 4.63 1.82 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.47 0.87 0.00 0.00 124 V 7.67 3.93 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 0.75 0.00 0.00 1.00 0.00 0.00 125 Q 8.65 4.08 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 126 N 7.99 5.27 0.00 2.70 2.67 0.00 0.00 7.27 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.73 3.11 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 0.92 0.00 0.00 1.03 0.00 0.00 128 D 8.75 4.99 0.00 2.79 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 0.00 129 S 8.61 4.43 0.00 3.89 3.88 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 0.00 130 V 7.98 4.12 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 0.67 0.00 0.00 0.92 0.00 0.00 131 V 7.05 3.31 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 0.00 0.00 0.44 0.00 0.00 0.71 0.00 0.00 132 P 0.00 4.53 0.00 2.02 1.98 0.00 2.73 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 133 V 9.04 4.10 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 0.19 0.00 0.00 0.81 0.00 0.00 134 D 8.94 4.83 0.00 2.80 2.84 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 0.00 135 V 7.32 4.43 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 1.11 0.00 0.00 0.92 0.00 0.00 136 Y 9.17 5.39 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.83 4.49 2.15 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 0.93 0.00 0.00 0.99 0.00 0.00 138 P 0.00 4.50 0.00 2.10 2.19 0.00 3.77 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 2.00 2.00 0.00 139 G 7.52 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 0.00 140 C 7.78 5.37 0.00 2.92 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 0.00 141 P 0.00 4.83 0.00 2.21 2.02 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 142 P 0.00 4.36 0.00 2.21 2.20 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 143 R 8.57 3.94 0.00 1.88 2.15 0.00 3.14 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 144 P 0.00 4.23 0.00 2.15 2.12 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.39 0.00 145 E 8.40 3.93 0.00 2.04 2.05 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 2.41 2.48 0.00 146 A 8.05 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 8.18 3.94 0.00 1.68 1.92 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.81 3.64 2.10 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 1.53 0.47 0.93 0.00 0.00 149 Y 8.57 4.08 0.00 3.02 3.12 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 0.00 150 A 7.97 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.72 3.55 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 0.88 0.00 0.00 0.99 0.00 0.00 152 M 7.89 4.18 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 153 Q 7.35 3.57 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 154 L 7.58 3.95 0.00 1.73 1.61 0.56 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 9.01 3.67 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.64 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 156 K 8.71 4.02 0.00 1.67 1.71 0.00 1.57 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.49 7.81 157 K 7.32 4.12 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.42 1.49 7.81 158 V 7.67 3.76 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.69 0.00 0.00 159 R 7.69 4.11 0.00 1.81 2.03 0.00 3.03 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 160 G 8.17 4.08 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 0.00 0.00 0.00 161 Q 7.30 4.32 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 162 A 7.54 4.28 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 0.00 0.00 0.00 0.00 0.00 163 Y 7.08 4.77 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 0.00 164 N 8.84 4.83 0.00 2.70 2.86 0.00 0.00 6.97 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 0.00 165 E 8.39 3.82 0.00 2.01 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.26 0.00 166 R 8.99 3.84 0.00 1.83 1.99 0.00 3.43 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 167 G 9.01 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 0.00 0.00 0.00 168 E 7.71 4.40 0.00 2.02 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 2.28 2.34 0.00 169 R 8.32 4.20 0.00 1.76 1.90 0.00 3.41 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.49 0.00 170 L 8.61 4.61 0.00 1.91 1.68 1.08 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 171 P 0.00 4.56 0.00 2.25 2.12 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 172 P 0.00 4.73 0.00 2.26 2.44 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 173 V 7.64 4.42 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 0.58 0.00 0.00 0.94 0.00 0.00 174 A 8.85 4.44 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 0.00 175 A 8.75 4.15 1.42 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.