NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4135 8.2893 120.3486 55.3334 33.0074 174.7100 2 N 4.6270 8.5909 124.2143 51.5207 38.8203 173.0499 3 I 4.5782 8.8332 121.5377 59.5580 41.8086 176.1848 4 I 4.3577 8.3475 124.3282 59.5714 38.4234 175.1886 5 K 4.4368 8.5993 124.8713 54.4060 34.0971 176.2225 6 A 4.5184 8.4097 126.6276 50.9369 20.8602 175.0934 7 N 5.0542 8.1848 116.8132 51.9151 41.4973 175.6501 8 V 3.9186 8.1790 114.1467 62.6232 32.2765 176.8324 9 A 4.2594 8.0985 123.6560 52.1535 18.7055 178.0330 10 A 4.6336 8.2364 122.3940 51.2368 21.6539 174.1305 11 P 4.7612 0.0000 0.0000 65.4288 32.1773 179.5213 12 D 4.6553 8.0749 114.4552 53.1834 39.5828 178.3472 13 A 4.6646 7.6674 124.5300 52.8948 20.1410 178.3016 14 R 4.8259 9.5400 120.9902 55.1376 32.6340 175.7110 15 V 4.9302 8.8896 124.5591 60.0107 34.7791 173.9597 16 A 4.9400 8.4754 128.7915 50.1283 21.4519 175.2815 17 I 4.8086 8.6047 123.7995 59.5894 39.6707 174.6848 18 T 4.7484 8.5741 117.7680 59.9848 70.8432 173.4354 19 I 5.1727 8.2301 126.4846 58.1969 40.5207 174.5070 20 A 5.0365 8.4511 128.1145 51.3489 19.0785 177.9432 21 R 4.4340 9.3450 119.7770 58.5681 30.2141 177.0199 22 F 4.6372 8.2076 121.1926 60.0330 39.6461 174.3695 23 N 4.6846 9.8582 123.8796 54.4299 35.5894 176.0412 24 Q 4.1710 8.4036 120.4355 59.5347 28.0267 178.0872 25 F 3.9046 8.5066 121.4133 61.0562 39.3991 176.3858 26 I 4.2301 8.3098 118.7901 63.6948 37.5919 177.7392 27 N 4.3705 8.2880 116.6018 56.3003 38.2675 176.9636 28 D 4.5517 8.7640 120.8652 57.6444 41.0052 178.8246 29 S 4.0859 7.9653 112.9833 61.0104 62.3990 175.4347 30 L 4.0694 7.8181 123.3143 58.6694 41.6663 178.3140 31 L 3.8889 8.3752 120.5252 57.5392 41.9907 178.7066 32 D 4.4980 8.4880 118.5793 57.2615 40.9140 179.7606 33 G 3.6091 8.1364 105.8687 47.8016 0.0000 175.2663 34 A 3.9374 7.8315 123.3123 54.7179 18.4634 179.3170 35 V 3.4409 7.8595 116.4913 66.3183 31.5473 177.3431 36 D 4.3154 8.1243 117.1188 57.7324 40.9752 177.7844 37 A 3.9051 8.2575 120.9783 55.8598 18.4074 179.0063 38 L 3.8518 8.5534 116.4321 59.4853 41.8228 179.7664 39 T 4.2016 8.3762 111.0497 63.8778 68.5375 176.1398 40 R 3.8657 8.1612 124.3274 58.2618 30.7366 178.0478 41 I 4.0941 7.9947 117.0637 63.3923 37.8695 177.0695 42 G 3.7456 7.9418 106.5298 45.1507 0.0000 173.9350 43 Q 3.6966 8.2737 119.9099 56.5258 28.0207 172.8076 44 V 3.9521 7.4919 116.6579 61.9375 32.2026 175.2061 45 K 4.2733 8.5813 128.9460 56.2625 32.5576 176.6151 46 D 4.6853 8.8076 124.2798 54.0600 39.1376 176.1819 47 D 4.7896 7.9720 117.2900 53.7490 40.1713 176.3270 48 N 4.7147 8.5683 117.7284 53.6324 39.3366 174.0755 49 I 4.9302 7.5881 120.2815 60.2495 38.4101 175.1862 50 T 4.7227 8.7880 117.2969 59.7049 71.9141 173.0000 51 V 4.6215 8.4116 123.5942 61.0483 34.1428 174.5406 52 V 4.3065 8.9107 128.3829 60.8062 33.8050 174.5327 53 W 4.7875 8.9932 129.1403 56.4958 29.4844 176.4919 54 V 4.3346 8.6245 119.1874 59.1211 33.5451 174.8008 55 P 4.3309 0.0000 0.0000 65.0421 31.4650 176.8200 56 G 4.5062 7.9667 108.4549 42.8115 0.0000 174.1137 57 A 4.1169 8.4764 120.7627 54.7325 18.1008 179.3051 58 Y 4.1953 8.1341 117.0019 60.4179 39.2705 177.1330 59 E 4.1631 8.2763 118.5957 57.9880 29.7096 178.4995 60 L 3.8753 7.5817 119.5098 58.1777 41.6493 177.0177 61 P 4.1952 0.0000 0.0000 64.6209 31.0972 178.0766 62 L 3.8028 7.6381 118.0377 58.4382 42.4571 179.2526 63 A 3.9842 7.8394 120.2853 55.6691 18.3160 179.8499 64 T 3.8255 8.2429 108.3478 64.4994 68.6746 176.2047 65 E 3.8381 8.8585 122.5257 59.1542 29.6588 178.2133 66 A 4.0082 8.0181 120.6874 55.6355 18.1855 179.5438 67 L 4.0747 7.5839 114.8196 57.9655 41.9772 179.5182 68 A 4.2281 8.3047 120.7557 55.1397 18.2291 179.8384 69 K 3.9480 8.2318 116.2546 59.5984 32.1321 179.0162 70 S 4.2063 8.1275 113.0038 59.4637 62.0414 175.8720 71 G 3.9650 8.5464 110.6291 46.2747 0.0000 176.0848 72 K 3.5154 7.7324 120.4795 56.3890 31.8224 182.1411 73 Y 5.1052 7.0219 113.1810 56.8349 40.7382 175.4233 74 D 4.7333 9.2034 121.8424 56.0698 41.8752 176.4876 75 A 4.5474 7.3901 117.2545 51.1864 22.5401 175.0959 76 V 4.7542 8.2885 120.0053 61.0357 34.6118 174.4857 77 V 4.3517 8.8172 128.3331 61.5040 33.3253 174.1995 78 A 4.8840 8.5776 130.3396 49.8148 20.6877 175.2955 79 L 5.2587 7.9354 123.1542 52.7397 44.3333 176.4039 80 G 4.2400 7.7007 108.3990 45.9497 0.0000 171.8702 81 T 5.0919 8.5380 116.1364 61.4962 72.1515 174.2970 82 V 4.2207 9.1156 125.1034 61.3562 34.1388 173.8673 83 I 4.8260 8.1908 128.7316 59.5396 38.6863 175.9918 84 R 3.6522 8.4392 127.8056 56.5383 30.3022 176.3625 85 G 4.4413 8.3322 115.8946 44.3417 0.0000 172.9378 86 G 3.6411 8.7951 107.7145 47.4839 0.0000 173.3448 87 T 4.5202 7.5923 108.3524 59.6971 71.4618 173.5430 88 A 4.4626 8.3714 121.2918 52.7587 18.7628 178.6393 89 H 4.2757 8.3170 120.1236 60.3159 29.7381 176.8792 90 F 4.0134 8.4914 121.8986 61.5517 38.9643 176.6517 91 E 3.5924 8.0158 118.4610 59.5416 29.4080 178.4334 92 Y 4.3083 7.3552 115.9579 60.7795 38.1741 177.6209 93 V 3.6861 7.7097 119.3921 65.8739 31.6066 177.8241 94 A 4.0850 7.7837 120.1844 55.1810 18.0642 179.6721 95 G 3.6146 8.0857 104.6644 47.7893 0.0000 176.0228 96 G 3.8527 8.6048 108.0885 45.7238 0.0000 174.7614 97 A 4.2733 7.7997 122.5615 54.3452 19.6950 179.1299 98 S 4.1807 8.2510 111.8255 61.8696 62.3787 176.2636 99 N 4.4354 8.5444 119.4418 56.0013 38.3457 177.3574 100 G 3.7267 7.6846 106.0050 48.0758 0.0000 175.3730 101 L 3.9946 8.0505 121.6083 57.3124 41.8877 179.6806 102 A 3.9877 8.0184 120.4801 55.0431 18.2732 179.6581 103 S 3.9550 8.2724 111.7228 61.5007 62.4684 176.1323 104 V 3.5475 7.7734 120.7670 66.2511 31.1136 177.6221 105 A 4.4115 7.8517 121.3418 54.8170 17.9975 179.4197 106 Q 3.8953 7.6979 116.2778 59.1837 29.1302 177.7917 107 D 4.5413 7.9935 119.3386 56.8818 41.3024 178.4673 108 S 4.3612 8.3470 113.0314 58.6296 63.4844 175.5404 109 G 3.8787 8.0695 109.4740 45.7415 0.0000 173.6454 110 V 4.0002 7.5131 121.0434 61.4427 33.0698 173.6104 111 P 4.5875 0.0000 0.0000 62.7628 32.4408 175.1320 112 V 4.8554 8.4050 123.7206 61.0096 34.0082 174.2605 113 A 4.4199 8.8359 130.4199 50.9902 20.2753 176.3048 114 F 4.8093 9.0288 126.7880 56.4111 38.4237 175.8798 115 G 3.9590 8.1569 118.5762 45.0148 0.0000 171.0806 116 V 4.5841 6.1489 117.7357 60.5332 33.8152 176.0185 117 L 4.2510 8.7823 129.6222 55.1292 42.7392 176.6604 118 T 5.5467 8.7619 112.8871 58.7287 68.9289 172.5721 119 T 4.6200 8.1793 120.8739 61.0137 72.1227 174.9081 120 E 4.1597 9.8085 120.5181 57.1144 30.6164 177.1517 121 S 4.7186 7.5942 112.0676 55.5670 67.6486 174.7883 122 I 3.6715 8.2228 123.0608 64.2819 36.6845 177.8999 123 E 3.8988 8.2709 119.8293 59.8662 29.0909 179.0103 124 Q 4.1656 7.8979 116.0390 58.8171 29.1711 178.3530 125 A 4.1612 7.7994 121.9583 55.3812 17.9668 179.7434 126 I 3.7643 7.8793 118.2153 64.6243 37.1073 178.5495 127 E 4.5841 8.0108 120.6374 58.0955 29.2884 178.4232 128 R 4.5353 7.8924 115.4650 55.7185 30.5717 176.6920 129 A 4.7906 7.1536 121.0590 52.7652 19.4408 177.0703 130 G 4.4458 7.8955 108.2324 48.1236 0.0000 175.5187 131 T 4.6263 7.5558 114.9716 60.1308 68.7668 175.7316 132 K 3.7860 9.2396 117.0349 59.3118 31.7705 177.7469 133 A 4.5851 7.8128 119.3906 52.0190 20.0907 178.9680 134 G 3.7059 8.1250 110.1551 47.5807 0.0000 174.2647 135 N 5.2135 8.2577 118.5477 50.9365 41.1469 175.4459 136 K 4.0174 8.9389 129.0880 59.2609 32.0425 178.9014 137 G 4.0870 8.2708 107.7259 47.2946 0.0000 175.4270 138 A 4.0336 7.8954 123.0227 54.3817 18.4821 179.2686 139 E 3.8290 8.4520 117.7387 59.3740 29.7918 178.9112 140 A 4.0613 8.6123 122.4230 54.3679 18.3950 179.3290 141 A 3.8812 8.2094 119.5362 55.4007 18.4292 179.8204 142 L 3.9316 8.1070 117.7628 58.2452 41.2522 180.0099 143 T 3.8866 8.1092 109.0710 64.3374 68.5604 176.2915 144 A 3.9811 7.8463 124.2140 55.0484 18.4110 179.0418 145 L 3.8635 7.9097 116.8849 58.2018 41.8230 179.2827 146 E 4.1687 8.2957 120.1082 59.1226 29.4000 179.0177 147 M 4.0587 7.9040 117.8482 58.3499 31.9241 178.4354 148 I 3.6988 7.6675 119.9557 64.8014 37.2820 178.1661 149 N 4.3123 7.9618 116.4346 56.2572 38.1783 177.4442 150 V 3.5846 7.9120 118.8828 66.2131 31.8094 177.8888 151 L 4.0798 8.3029 118.6741 57.8107 41.3804 179.1211 152 K 3.8563 8.1612 118.5186 59.5939 32.0429 177.2151 153 A 4.4554 8.1743 120.2578 51.7144 19.2465 177.2614 154 I 3.8945 7.7445 120.8337 63.1695 37.7165 173.9926 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 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.59 4.63 0.00 2.95 2.79 0.00 0.00 6.06 6.93 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 3 I 8.83 4.58 1.87 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 1.41 0.67 0.91 0.00 0.00 4 I 8.35 4.36 1.87 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 1.41 0.60 0.91 0.00 0.00 5 K 8.60 4.44 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 6 A 8.41 4.52 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 7 N 8.18 5.05 0.00 2.73 2.64 0.00 0.00 6.87 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 8 V 8.18 3.92 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.10 4.26 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 10 A 8.24 4.63 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 11 P 0.00 4.76 0.00 2.23 2.38 0.00 3.86 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 2.07 1.92 0.00 12 D 8.07 4.66 0.00 2.72 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 13 A 7.67 4.66 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 14 R 9.54 4.83 0.00 1.42 1.79 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.89 4.93 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 0.91 0.00 0.00 0.95 0.00 0.00 16 A 8.48 4.94 0.28 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 17 I 8.60 4.81 1.68 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.69 0.00 0.00 18 T 8.57 4.75 4.13 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 1.09 0.00 0.00 19 I 8.23 5.17 0.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.62 0.30 0.00 0.00 20 A 8.45 5.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.34 4.43 0.00 2.09 2.52 0.00 2.87 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.21 4.64 0.00 3.17 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 23 N 9.86 4.68 0.00 2.98 3.00 0.00 0.00 6.87 7.74 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 24 Q 8.40 4.17 0.00 2.52 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.51 3.90 0.00 3.13 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 26 I 8.31 4.23 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.76 0.95 0.00 0.00 27 N 8.29 4.37 0.00 2.87 2.92 0.00 0.00 7.07 8.08 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 28 D 8.76 4.55 0.00 2.67 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 29 S 7.97 4.09 0.00 3.82 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 30 L 7.82 4.07 0.00 1.92 1.63 0.96 0.56 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 31 L 8.38 3.89 0.00 1.80 1.77 0.77 1.37 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 32 D 8.49 4.50 0.00 2.87 2.70 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 33 G 8.14 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 34 A 7.83 3.94 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 35 V 7.86 3.44 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 0.98 0.00 0.00 0.96 0.00 0.00 36 D 8.12 4.32 0.00 2.83 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 37 A 8.26 3.91 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 38 L 8.55 3.85 0.00 1.84 1.72 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.38 4.20 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 40 R 8.16 3.87 0.00 1.81 2.24 0.00 3.24 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 41 I 7.99 4.09 2.08 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 1.23 0.97 0.91 0.00 0.00 42 G 7.94 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.27 3.70 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 44 V 7.49 3.95 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 0.88 0.00 0.00 0.98 0.00 0.00 45 K 8.58 4.27 0.00 1.80 1.68 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.69 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.97 4.79 0.00 2.78 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 48 N 8.57 4.71 0.00 2.87 2.99 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.59 4.93 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.89 0.00 0.00 50 T 8.79 4.72 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 1.51 0.00 0.00 51 V 8.41 4.62 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 0.47 0.00 0.00 0.84 0.00 0.00 52 V 8.91 4.31 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 8.99 4.79 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.62 4.33 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 0.77 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.30 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.97 4.51 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 0.00 0.00 0.00 57 A 8.48 4.12 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 Y 8.13 4.20 0.00 2.92 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 59 E 8.28 4.16 0.00 2.06 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 2.64 2.58 0.00 60 L 7.58 3.88 0.00 1.71 1.69 0.88 1.41 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 61 P 0.00 4.20 0.00 2.02 1.84 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 62 L 7.64 3.80 0.00 1.63 1.66 0.92 0.86 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 63 A 7.84 3.98 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 64 T 8.24 3.83 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 1.22 0.00 0.00 65 E 8.86 3.84 0.00 1.99 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 0.00 2.31 2.33 0.00 66 A 8.02 4.01 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 67 L 7.58 4.07 0.00 1.76 1.63 0.62 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.30 4.23 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 69 K 8.23 3.95 0.00 1.86 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.13 4.21 0.00 3.92 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 71 G 8.55 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 0.00 0.00 0.00 72 K 7.73 3.52 0.00 1.82 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.29 7.81 73 Y 7.02 5.11 0.00 2.79 2.96 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 74 D 9.20 4.73 0.00 2.55 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.39 4.55 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 76 V 8.29 4.75 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 0.96 0.00 0.00 0.84 0.00 0.00 77 V 8.82 4.35 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.58 4.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.94 5.26 0.00 1.38 1.40 0.84 0.64 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 80 G 7.70 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 0.00 0.00 0.00 0.00 81 T 8.54 5.09 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 1.19 0.00 0.00 82 V 9.12 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.19 4.83 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.70 0.87 0.00 0.00 84 R 8.44 3.65 0.00 0.67 1.38 0.00 3.06 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.00 85 G 8.33 4.44 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 0.00 0.00 0.00 86 G 8.80 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 87 T 7.59 4.52 4.31 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 1.24 0.00 0.00 88 A 8.37 4.46 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 89 H 8.32 4.28 0.00 3.24 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.49 4.01 0.00 3.11 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 91 E 8.02 3.59 0.00 1.93 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 2.01 2.17 0.00 92 Y 7.36 4.31 0.00 3.01 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 93 V 7.71 3.69 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 1.05 0.00 0.00 0.78 0.00 0.00 94 A 7.78 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.09 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 96 G 8.60 3.85 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 0.00 0.00 0.00 97 A 7.80 4.27 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.25 4.18 0.00 3.75 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 99 N 8.54 4.44 0.00 2.87 2.83 0.00 0.00 6.95 8.24 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 0.00 100 G 7.68 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 0.00 101 L 8.05 3.99 0.00 2.04 1.82 1.04 0.79 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 0.00 102 A 8.02 3.99 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 0.00 103 S 8.27 3.95 0.00 3.96 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 0.00 104 V 7.77 3.55 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.96 0.00 0.00 105 A 7.85 4.41 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.70 3.90 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 7.99 4.54 0.00 2.70 2.70 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 0.00 108 S 8.35 4.36 0.00 4.02 4.04 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 0.00 109 G 8.07 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 0.00 110 V 7.51 4.00 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 0.96 0.00 0.00 1.01 0.00 0.00 111 P 0.00 4.59 0.00 2.12 1.97 0.00 3.79 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 2.12 2.09 0.00 112 V 8.40 4.86 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 0.86 0.00 0.00 1.01 0.00 0.00 113 A 8.84 4.42 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 0.00 114 F 9.03 4.81 0.00 2.99 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 0.00 115 G 8.16 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 0.00 116 V 6.15 4.58 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 0.68 0.00 0.00 0.00 0.00 0.00 117 L 8.78 4.25 0.00 1.61 1.58 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.76 5.55 4.46 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 1.24 0.00 0.00 119 T 8.18 4.62 4.40 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 1.26 0.00 0.00 120 E 9.81 4.16 0.00 1.96 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 2.29 2.30 0.00 121 S 7.59 4.72 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 0.00 122 I 8.22 3.67 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.86 0.00 0.00 123 E 8.27 3.90 0.00 2.06 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 2.38 2.49 0.00 124 Q 7.90 4.17 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 125 A 7.80 4.16 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 0.00 126 I 7.88 3.76 2.00 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 1.89 1.26 0.99 0.00 0.00 127 E 8.01 4.58 0.00 2.21 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 2.34 2.37 0.00 128 R 7.89 4.54 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.19 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.15 4.79 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 0.00 130 G 7.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.56 4.63 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 1.27 0.00 0.00 132 K 9.24 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.81 4.59 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 0.00 134 G 8.13 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.26 5.21 0.00 2.69 2.65 0.00 0.00 6.93 7.01 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 0.00 136 K 8.94 4.02 0.00 1.82 1.82 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.27 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 0.00 138 A 7.90 4.03 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 0.00 139 E 8.45 3.83 0.00 2.04 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 2.31 2.33 0.00 140 A 8.61 4.06 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 0.00 141 A 8.21 3.88 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 0.00 142 L 8.11 3.93 0.00 1.97 1.73 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.11 3.89 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 1.30 0.00 0.00 144 A 7.85 3.98 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 0.00 145 L 7.91 3.86 0.00 1.85 1.89 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.30 4.17 0.00 2.02 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 2.32 2.24 0.00 147 M 7.90 4.06 0.00 2.06 2.36 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.89 0.00 148 I 7.67 3.70 2.04 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 1.68 0.92 0.92 0.00 0.00 149 N 7.96 4.31 0.00 2.93 2.86 0.00 0.00 6.72 8.93 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 0.00 150 V 7.91 3.58 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.99 0.00 0.00 151 L 8.30 4.08 0.00 1.95 1.69 0.92 0.65 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 0.00 152 K 8.16 3.86 0.00 1.82 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.17 4.46 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 0.00 154 I 7.74 3.89 1.87 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 1.16 0.73 0.91 0.00 0.00