NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9630 8.3549 109.7371 45.4289 0.0000 172.6170 2 L 4.2312 7.9603 118.5389 51.3878 42.8928 176.0493 3 S 4.4796 9.3656 118.7203 57.6861 66.2046 174.8875 4 D 4.6527 8.8101 122.1464 57.8985 40.5841 179.4660 5 G 3.7441 8.1764 105.2971 47.9016 0.0000 175.3631 6 E 3.8651 8.0324 120.2613 59.0902 29.4388 179.3218 7 W 4.5418 8.2939 119.3472 59.9536 29.0200 178.3979 8 Q 4.0502 8.4030 119.3803 59.2543 28.4666 178.2052 9 Q 4.0222 8.0594 119.0045 59.0408 28.7246 178.8359 10 V 3.7244 8.0091 119.2280 66.4557 31.6522 178.1390 11 L 4.1961 8.5280 118.5499 57.3407 41.1932 179.0668 12 N 4.3362 8.3986 117.2049 56.6689 39.2860 176.6030 13 V 3.7323 8.1925 120.0397 65.9799 31.5647 177.7747 14 W 4.1537 8.8115 128.3687 60.2333 30.2225 177.8734 15 G 3.7270 7.8595 104.7483 47.9208 0.0000 175.4232 16 K 4.0033 7.8831 120.5095 59.1070 32.0164 179.6436 17 V 2.7403 6.9802 117.9794 65.6948 31.1268 177.7770 18 E 3.8577 7.6390 116.6885 58.7099 29.2861 178.7862 19 A 4.2234 7.2692 119.3363 53.8610 19.8975 177.5856 20 D 4.6347 7.7171 116.6966 52.2031 42.5931 175.2348 21 I 3.6039 7.9286 123.3956 63.4806 38.5440 176.6025 22 A 4.0724 7.9994 121.3438 55.0058 18.2569 179.6646 23 G 3.7431 8.2588 105.4124 47.8063 0.0000 175.5503 24 H 4.0965 8.1929 119.4904 58.3199 28.6991 178.2298 25 G 3.4959 8.3927 107.7870 47.6840 0.0000 175.3545 26 Q 3.8063 8.3840 122.7509 59.0139 28.9981 178.3911 27 E 3.8318 8.0404 119.3647 59.2410 29.3824 179.2642 28 V 3.5147 7.8626 118.4281 66.3272 31.4573 178.1869 29 L 3.4478 7.6209 118.3119 57.4710 41.2847 179.6177 30 I 3.5245 7.7093 120.1046 64.1861 37.0962 178.3047 31 R 3.7819 8.1261 119.9221 59.2882 29.8775 178.2461 32 L 3.9271 7.8647 120.0497 58.3711 41.6274 179.0485 33 F 4.5853 8.1162 118.2971 60.7352 38.5696 177.8066 34 T 4.1116 8.0639 108.9481 64.5455 68.9441 176.9122 35 G 3.6684 7.8169 107.1783 46.0104 0.0000 173.7041 36 H 4.7795 8.0274 117.7454 52.4338 29.6564 172.0440 37 P 4.4919 0.0000 0.0000 64.0969 31.5677 177.4377 38 E 4.0529 8.2966 116.9249 59.6266 29.3158 179.1577 39 T 3.7527 8.0727 111.0741 64.5314 68.7802 176.1054 40 L 3.4613 7.7889 123.2733 57.9961 41.7209 178.8631 41 E 4.1073 7.9399 117.2417 58.7833 29.4661 178.8809 42 K 4.4226 8.1333 117.4755 57.0816 32.5019 176.7117 43 F 4.6862 8.0971 118.7073 55.3557 39.4369 175.7734 44 D 4.4484 8.6643 126.9056 56.7655 40.7845 178.2282 45 K 4.0973 7.8192 116.0284 57.8329 33.1754 177.1047 46 F 5.1541 7.9005 117.3835 56.9597 40.5460 177.0774 47 K 3.9954 8.1272 119.9095 59.5557 32.5966 177.8112 48 H 4.3372 8.1644 113.6883 57.1607 28.7597 175.8504 49 L 4.1371 7.3410 120.7580 54.1518 39.7288 176.6785 50 K 4.1502 8.9904 124.4383 58.2792 32.5710 178.2846 51 T 4.7336 7.5602 107.8239 58.8627 73.1366 174.1572 52 E 3.8495 8.7248 121.7531 59.3534 29.5662 178.8881 53 A 3.9605 7.9621 120.2573 55.2823 18.2921 179.1858 54 E 3.9046 8.1094 115.6907 59.8222 29.8518 179.2349 55 M 4.1336 8.2292 118.7817 58.3764 31.8539 178.5032 56 K 3.7764 8.1308 118.3933 59.4895 32.4034 177.7483 57 A 4.4304 7.7392 117.6482 51.5838 19.0181 176.9467 58 S 4.4049 7.5482 114.1713 57.3633 62.7819 174.7487 59 E 4.0994 8.7980 128.3530 59.2347 29.3604 178.6219 60 D 4.4206 8.1387 117.9987 56.9582 41.3055 177.7640 61 L 3.5686 8.1875 121.0565 57.9241 41.9638 178.9969 62 K 3.8470 7.7886 117.9896 59.4173 32.0486 179.0165 63 K 3.8995 8.3599 120.0196 60.0443 32.0263 178.2969 64 H 4.4605 8.6847 118.4976 58.9589 29.7633 177.3114 65 G 3.6368 8.3099 108.0312 48.1188 0.0000 175.6849 66 T 3.8709 8.1372 118.3461 66.2536 68.5297 176.6084 67 V 3.5955 7.8347 120.0490 66.1527 31.5356 177.8997 68 V 3.6034 7.9086 117.8483 66.4313 31.3296 178.0976 69 L 4.2927 8.2078 118.4339 57.9095 41.3691 179.6230 70 T 3.9895 8.3043 115.8721 66.5920 68.4166 176.4164 71 A 3.9767 8.0048 122.5338 55.0852 18.4548 179.4873 72 L 3.6905 8.1189 119.0016 57.9251 42.0520 179.2335 73 G 3.0052 8.4207 106.2273 47.5740 0.0000 175.3257 74 G 3.8793 7.8379 107.3789 47.7721 0.0000 175.1924 75 I 3.8027 7.6166 122.4620 63.9013 37.2419 178.4907 76 L 3.8306 7.9058 119.8617 57.7618 41.2216 179.4976 77 K 4.0137 7.7416 116.1976 57.8917 32.2863 178.4355 78 K 3.9942 8.0154 118.7517 55.4828 33.0021 176.2197 79 K 2.0000 8.0070 118.5564 56.3792 29.7152 176.0311 80 G 3.8706 7.4819 104.9695 46.3530 0.0000 173.3781 81 H 4.4632 7.5773 118.7699 55.6681 27.5800 175.1344 82 H 5.3897 7.4102 111.8914 54.3296 29.8620 175.9623 83 E 3.9183 8.4884 122.1923 60.1099 28.9599 178.6619 84 A 3.9956 7.9035 118.8604 54.8647 18.5676 178.8583 85 E 4.1361 8.0567 116.7995 58.9275 29.7938 178.7940 86 L 3.9566 8.2805 120.7810 57.7417 42.1928 178.4585 87 K 3.8242 8.2236 120.1644 59.2089 32.0058 176.8122 88 P 4.2415 0.0000 0.0000 65.7345 31.1167 178.1601 89 L 4.0018 7.4433 115.6128 57.5597 41.5599 178.9718 90 A 4.0264 8.2514 120.9782 55.7011 18.2138 179.8289 91 Q 3.9214 8.3105 116.6123 59.1233 28.7813 179.1411 92 S 4.1048 8.4966 115.7453 61.7161 62.9858 176.2710 93 H 4.1954 8.8360 119.9628 58.2397 28.0377 177.6924 94 A 2.0000 7.9921 122.8261 54.7601 17.9430 179.8721 95 T 3.6618 7.5794 112.9793 66.3846 68.7736 176.3945 96 K 3.9790 7.5094 119.8150 59.2071 32.6297 177.4305 97 H 4.3365 7.9547 114.8081 55.9316 29.4514 175.5029 98 K 3.6895 7.4462 116.5203 56.4750 28.8376 176.9041 99 I 4.2813 7.8566 119.9475 59.0790 37.4159 174.9832 100 P 4.4501 0.0000 0.0000 62.1424 32.0453 177.7368 101 I 3.7258 8.5619 120.4080 64.2037 37.7301 178.0171 102 K 3.6309 7.9827 120.0532 59.7985 31.8604 178.1265 103 Y 4.2920 7.9105 116.8670 60.9833 37.7548 178.4656 104 L 4.2032 7.8973 119.7233 57.5185 41.7797 178.8046 105 E 3.9721 8.2847 119.4044 59.3053 29.5324 178.7128 106 F 4.4893 8.2536 118.1692 61.0421 39.0317 177.6907 107 I 3.8377 8.1876 117.7895 63.8678 37.7536 178.1419 108 S 4.2211 8.3290 116.4324 61.7967 62.7131 176.3376 109 D 4.4681 8.3362 121.3820 57.1939 40.4457 178.6993 110 A 4.0386 8.3567 121.4801 55.1729 18.4106 179.5196 111 I 3.6461 7.9556 118.3681 64.7473 37.3272 178.5907 112 I 3.8208 7.7677 120.2633 64.6615 36.9552 177.9397 113 H 4.1404 8.4311 118.9013 59.4408 29.6932 177.3486 114 V 3.5823 8.0752 120.2130 66.0149 31.2735 177.9006 115 L 3.8162 7.9364 118.6241 58.0117 40.8837 179.2540 116 H 4.3617 8.1134 115.8836 58.9562 28.4526 177.8024 117 S 4.0794 8.1953 114.1670 61.1778 62.3280 175.8152 118 K 4.1276 8.0796 119.3507 57.3172 33.1910 176.5229 119 H 4.9759 8.1435 116.4414 53.7089 29.3961 172.1268 120 P 4.5278 0.0000 0.0000 63.5991 31.6897 177.5795 121 G 3.9518 9.0009 110.2646 45.9456 0.0000 173.1278 122 D 4.8630 8.1630 117.9686 53.7268 41.2166 176.3158 123 F 4.8407 7.8214 119.8317 55.4257 39.7554 174.7304 124 G 3.8638 8.0788 113.8739 42.9752 0.0000 171.0371 125 A 3.8687 8.2947 121.2501 54.9628 18.2578 179.4467 126 D 4.1963 7.9749 116.9292 56.6340 39.4007 178.6073 127 A 3.9639 7.7461 122.0419 54.5882 18.4863 178.7856 128 Q 3.6842 7.5436 118.3258 59.3088 28.9766 178.7423 129 G 3.8255 7.8400 106.0931 48.0996 0.0000 175.3014 130 A 3.8666 8.0593 123.5824 54.8123 18.4641 179.3793 131 M 4.0682 8.4845 117.1883 58.9955 32.2297 178.4907 132 T 3.9142 8.4569 116.2907 66.6224 68.6515 176.4069 133 K 3.7973 8.0890 120.0681 59.6203 32.1186 179.0907 134 A 3.9275 7.8991 120.6124 55.2748 18.3155 179.7507 135 L 4.1191 8.1705 117.4599 57.8163 41.6517 179.5751 136 E 4.0164 8.6395 119.1218 59.1926 29.3731 178.9818 137 L 3.9684 8.1279 120.4350 58.1591 42.1681 178.4768 138 F 4.1672 8.3511 120.4809 61.6531 39.1896 177.0764 139 R 3.5434 8.2379 117.9396 59.3629 29.9062 178.0072 140 N 4.2364 8.5670 117.2820 56.7627 38.8106 176.6722 141 D 4.3628 8.2675 120.4659 57.1857 40.8019 178.8260 142 I 3.4194 7.4391 120.2761 64.0171 36.8974 178.1759 143 A 3.7087 7.9150 121.7465 54.9788 18.2278 179.4277 144 A 3.9244 7.9097 119.1194 55.4747 18.4829 180.1095 145 K 4.1880 7.7974 116.9960 59.7034 31.9692 179.2759 146 Y 4.3232 8.4241 117.5021 61.0215 37.7617 178.4341 147 K 3.9438 8.5001 120.8509 59.4665 32.0652 178.1783 148 E 3.9328 7.8388 117.9658 59.4965 29.6694 178.4982 149 L 4.2741 7.9865 116.2043 54.8713 41.8009 177.5677 150 G 3.8926 7.9286 106.8417 46.2005 0.0000 173.1960 151 F 4.3138 8.3474 122.2974 58.0552 39.9883 175.5801 152 Q 3.5030 7.8004 125.5692 56.2434 28.1184 173.2420 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 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 7.96 4.23 0.00 0.27 0.57 0.58 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.37 4.48 0.00 4.05 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 4 D 8.81 4.65 0.00 2.76 2.85 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 0.00 0.00 0.00 0.00 5 G 8.18 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 6 E 8.03 3.87 0.00 2.09 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 2.21 2.26 0.00 7 W 8.29 4.54 0.00 3.48 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 8 Q 8.40 4.05 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 9 Q 8.06 4.02 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 10 V 8.01 3.72 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 1.34 0.00 0.00 0.87 0.00 0.00 11 L 8.53 4.20 0.00 1.82 1.79 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.40 4.34 0.00 2.84 3.06 0.00 0.00 7.13 7.26 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 13 V 8.19 3.73 2.37 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 0.84 0.00 0.00 1.17 0.00 0.00 14 W 8.81 4.15 0.00 3.60 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 15 G 7.86 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 0.00 0.00 0.00 16 K 7.88 4.00 0.00 1.60 1.52 0.00 1.43 0.00 0.00 1.23 0.00 0.00 3.00 0.00 0.00 3.55 0.00 0.00 0.00 0.00 1.34 1.33 7.81 17 V 6.98 2.74 0.67 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 0.05 0.00 0.00 0.28 0.00 0.00 18 E 7.64 3.86 0.00 1.86 1.94 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 2.34 2.17 0.00 19 A 7.27 4.22 1.25 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 0.00 0.00 20 D 7.72 4.63 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 21 I 7.93 3.60 1.76 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 1.56 1.25 0.89 0.00 0.00 22 A 8.00 4.07 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 23 G 8.26 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 24 H 8.19 4.10 0.00 3.29 3.21 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.39 3.50 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 26 Q 8.38 3.81 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 27 E 8.04 3.83 0.00 2.08 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 2.25 2.38 0.00 28 V 7.86 3.51 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 1.09 0.00 0.00 0.94 0.00 0.00 29 L 7.62 3.45 0.00 1.41 0.65 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.71 3.52 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.85 0.00 0.00 31 R 8.13 3.78 0.00 1.91 2.11 0.00 3.04 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 32 L 7.86 3.93 0.00 1.80 1.53 1.09 1.26 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 33 F 8.12 4.59 0.00 2.95 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 34 T 8.06 4.11 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 G 7.82 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 36 H 8.03 4.78 0.00 3.00 2.92 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.15 2.09 0.00 3.85 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 38 E 8.30 4.05 0.00 2.31 2.31 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 2.26 2.62 0.00 39 T 8.07 3.75 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 0.63 0.00 0.00 40 L 7.79 3.46 0.00 1.45 1.75 -0.10 0.80 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 41 E 7.94 4.11 0.00 2.27 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 2.38 2.53 0.00 42 K 8.13 4.42 0.00 1.88 1.73 0.00 1.91 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.75 1.97 7.81 43 F 8.10 4.69 0.00 3.21 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 44 D 8.66 4.45 0.00 2.63 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 45 K 7.82 4.10 0.00 1.58 1.72 0.00 1.28 0.00 0.00 1.52 0.00 0.00 2.50 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.80 0.21 7.81 46 F 7.90 5.15 0.00 2.78 2.66 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 47 K 8.13 4.00 0.00 1.87 2.10 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.45 7.81 48 H 8.16 4.34 0.00 3.28 3.49 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.34 4.14 0.00 1.68 1.61 0.87 0.82 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 50 K 8.99 4.15 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 51 T 7.56 4.73 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 52 E 8.72 3.85 0.00 2.04 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 2.36 2.36 0.00 53 A 7.96 3.96 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 54 E 8.11 3.90 0.00 2.09 2.03 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 2.36 2.36 0.00 55 M 8.23 4.13 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.55 0.00 56 K 8.13 3.78 0.00 1.94 1.94 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.74 4.43 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 58 S 7.55 4.40 0.00 3.94 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 59 E 8.80 4.10 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 2.41 2.32 0.00 60 D 8.14 4.42 0.00 2.90 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 61 L 8.19 3.57 0.00 1.38 1.65 0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.79 3.85 0.00 1.99 1.85 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.43 7.81 63 K 8.36 3.90 0.00 1.86 2.08 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 64 H 8.68 4.46 0.00 3.67 3.59 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.31 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 66 T 8.14 3.87 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 1.23 0.00 0.00 67 V 7.83 3.60 2.21 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 1.07 0.00 0.00 1.03 0.00 0.00 68 V 7.91 3.60 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.96 0.00 0.00 69 L 8.21 4.29 0.00 1.80 1.89 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.30 3.99 4.32 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 1.26 0.00 0.00 71 A 8.00 3.98 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 72 L 8.12 3.69 0.00 1.59 1.75 -0.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.42 3.01 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 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.84 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 0.00 0.00 0.00 75 I 7.62 3.80 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.94 0.00 0.00 76 L 7.91 3.83 0.00 1.17 1.51 0.07 0.89 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 77 K 7.74 4.01 0.00 1.77 1.75 0.00 1.64 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.40 7.81 78 K 8.02 3.99 0.00 1.83 1.80 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.54 1.90 7.81 79 K 8.01 2.00 0.00 1.16 0.74 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.35 0.77 7.81 80 G 7.48 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.58 4.46 0.00 3.18 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.41 5.39 0.00 3.25 3.42 0.00 5.67 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 83 E 8.49 3.92 0.00 2.12 2.03 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 2.39 2.47 0.00 84 A 7.90 4.00 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 85 E 8.06 4.14 0.00 2.21 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 2.36 2.41 0.00 86 L 8.28 3.96 0.00 1.70 1.61 0.67 0.28 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 87 K 8.22 3.82 0.00 1.95 1.81 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 88 P 0.00 4.24 0.00 2.32 2.30 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.13 0.00 89 L 7.44 4.00 0.00 1.98 1.75 1.03 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.25 4.03 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 91 Q 8.31 3.92 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 92 S 8.50 4.10 0.00 3.92 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 93 H 8.84 4.20 0.00 3.45 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.99 2.00 0.35 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 95 T 7.58 3.66 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 96 K 7.51 3.98 0.00 1.53 1.62 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.11 1.32 7.81 97 H 7.95 4.34 0.00 3.05 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.45 3.69 0.00 1.95 2.01 0.00 1.86 0.00 0.00 2.46 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.35 7.81 99 I 7.86 4.28 2.10 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 1.37 0.97 1.20 0.00 0.00 100 P 0.00 4.45 0.00 1.76 1.66 0.00 2.52 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.67 0.00 101 I 8.56 3.73 1.97 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 0.89 0.00 0.00 102 K 7.98 3.63 0.00 1.69 1.58 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.65 0.99 7.81 103 Y 7.91 4.29 0.00 3.27 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 0.00 104 L 7.90 4.20 0.00 1.80 1.77 0.77 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.28 3.97 0.00 2.01 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 2.39 2.40 0.00 106 F 8.25 4.49 0.00 3.26 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 0.00 107 I 8.19 3.84 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.41 1.15 0.00 0.00 108 S 8.33 4.22 0.00 4.22 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 0.00 109 D 8.34 4.47 0.00 3.02 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 0.00 110 A 8.36 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.96 3.65 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.98 0.00 0.00 112 I 7.77 3.82 2.15 0.00 0.00 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 1.73 1.51 1.17 0.00 0.00 113 H 8.43 4.14 0.00 3.32 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.08 3.58 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 0.96 0.00 0.00 0.96 0.00 0.00 115 L 7.94 3.82 0.00 1.17 0.40 0.47 0.62 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 0.00 116 H 8.11 4.36 0.00 3.41 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.20 4.08 0.00 3.75 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 0.00 118 K 8.08 4.13 0.00 1.55 1.46 0.00 1.55 0.00 0.00 1.23 0.00 0.00 2.55 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.24 1.29 7.81 119 H 8.14 4.98 0.00 3.23 3.22 0.00 5.63 0.00 0.00 0.00 0.00 6.75 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 4.53 0.00 2.19 2.09 0.00 3.51 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.00 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 0.00 122 D 8.16 4.86 0.00 2.65 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 0.00 123 F 7.82 4.84 0.00 2.79 2.85 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 0.00 0.00 0.00 0.00 124 G 8.08 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 0.00 0.00 0.00 125 A 8.29 3.87 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.97 4.20 0.00 3.08 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 0.00 127 A 7.75 3.96 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 0.00 128 Q 7.54 3.68 0.00 1.39 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 129 G 7.84 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 0.00 0.00 0.00 130 A 8.06 3.87 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 0.00 131 M 8.48 4.07 0.00 2.43 2.36 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.77 0.00 132 T 8.46 3.91 4.41 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 1.24 0.00 0.00 133 K 8.09 3.80 0.00 1.79 1.66 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.40 7.81 134 A 7.90 3.93 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 0.00 135 L 8.17 4.12 0.00 1.92 1.83 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.64 4.02 0.00 2.14 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 2.36 2.53 0.00 137 L 8.13 3.97 0.00 1.92 2.01 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.35 4.17 0.00 3.12 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 0.00 139 R 8.24 3.54 0.00 2.18 2.04 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 140 N 8.57 4.24 0.00 2.96 2.79 0.00 0.00 7.26 8.15 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 0.00 141 D 8.27 4.36 0.00 2.76 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 0.00 142 I 7.44 3.42 1.43 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.14 -0.00 0.00 0.00 143 A 7.92 3.71 1.29 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 0.00 0.00 144 A 7.91 3.92 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 0.00 145 K 7.80 4.19 0.00 1.87 1.92 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.61 7.81 146 Y 8.42 4.32 0.00 3.19 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 0.00 147 K 8.50 3.94 0.00 1.85 1.97 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.84 3.93 0.00 2.04 2.27 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 2.35 2.38 0.00 149 L 7.99 4.27 0.00 1.83 1.70 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.93 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 0.00 0.00 0.00 151 F 8.35 4.31 0.00 2.67 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 0.00 152 Q 7.80 3.50 0.00 1.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00