NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1958 8.3049 118.1926 53.6205 33.0319 171.7952 2 L 3.3509 7.8992 126.2216 53.0975 39.2455 172.9079 3 T 3.9591 8.7434 114.6812 63.9029 70.1943 175.3441 4 D 4.7334 7.6425 127.0484 50.7182 42.1599 173.8623 5 P 4.2354 0.0000 0.0000 65.4853 31.4901 178.2428 6 I 3.6390 7.7985 117.6215 64.5383 37.2113 177.9372 7 A 3.9737 8.6634 121.8594 55.5214 17.9175 179.0298 8 D 4.1677 7.8309 116.3066 57.5031 41.2879 177.8374 9 M 3.8596 8.0546 118.6151 58.7935 32.0083 178.3576 10 L 3.8456 7.7348 118.5562 58.1731 41.7608 179.5556 11 T 3.8231 7.7505 115.3942 66.7898 68.3328 176.6144 12 R 3.8838 8.6311 120.7086 59.4190 30.0699 179.2220 13 I 3.6084 7.8195 119.4294 64.4535 37.0005 178.5353 14 R 3.8000 9.0815 117.6737 58.6381 29.5443 177.6313 15 N 4.5246 8.1685 116.0523 55.6553 39.1207 176.8272 16 A 4.0264 8.0405 122.5107 55.4895 18.3656 179.8206 17 T 3.9646 8.0412 107.9615 65.2141 68.7810 176.8833 18 R 3.8996 7.2236 118.9955 57.4228 30.3248 177.3680 19 V 3.8957 6.9484 109.6416 59.9183 33.4400 172.8141 20 Y 3.2791 8.0689 121.4341 57.3877 34.4865 168.2591 21 K 4.6494 10.0725 124.2089 53.7412 35.2304 174.9901 22 E 4.3106 8.2940 123.7637 58.4813 29.4605 176.3509 23 S 5.1822 7.7609 113.7182 57.0136 66.9915 172.4665 24 T 4.6632 8.5103 115.8542 61.9342 72.7899 173.2681 25 D 5.6580 8.9959 124.0645 51.9427 42.3611 175.5916 26 V 4.1893 8.0799 123.6767 59.5328 33.6007 173.8741 27 P 3.7389 0.0000 0.0000 62.5332 31.7338 175.8419 28 A 3.8608 8.0150 125.3835 52.9761 19.2144 177.4245 29 S 4.2283 8.7092 110.6166 56.5172 64.2130 176.1058 30 R 3.7817 8.3389 128.1685 60.1280 29.6119 177.4078 31 F 4.2233 8.3544 119.5043 61.2344 39.3596 177.4502 32 K 3.7438 8.5056 118.4034 59.5016 31.3365 178.8074 33 E 3.5539 8.0987 118.2196 59.6887 29.1629 178.9125 34 E 3.8934 7.8316 117.6693 59.9470 29.6235 179.5531 35 I 3.5242 7.0242 117.8258 64.6088 37.0086 178.0632 36 L 3.9875 7.7034 120.1588 57.0025 41.1650 179.0089 37 R 3.9918 9.4522 118.3299 60.0560 29.8669 178.3386 38 I 3.7934 8.2214 119.4614 64.5776 37.2310 178.0835 39 L 4.0915 7.9442 120.6401 57.9243 41.5550 178.7552 40 A 4.1988 8.4014 120.6571 54.5824 19.0452 179.1850 41 R 3.9271 8.8787 116.4022 58.6632 30.1716 177.1199 42 E 4.5531 7.6282 115.1828 55.2140 31.2335 175.2287 43 G 3.6847 10.0426 105.9879 46.9019 0.0000 174.4359 44 F 4.8084 8.2166 116.0531 57.2897 41.0204 176.7749 45 I 4.7877 7.4528 112.0635 58.6595 40.5188 174.9442 46 K 4.0350 8.5412 122.8028 58.1942 32.5381 177.8512 47 G 3.9368 7.2531 104.1472 46.3380 0.0000 169.2464 48 Y 5.3830 7.2139 118.3350 56.9673 41.1889 173.6139 49 E 4.9926 9.1246 113.5839 55.6822 32.9306 176.1283 50 R 4.6403 8.9627 121.1434 57.2011 31.1076 176.8269 51 V 4.3602 8.0689 113.3824 62.2727 36.2913 173.3428 52 D 4.5902 8.4733 118.7037 55.0950 43.0627 177.5408 53 V 3.8673 9.0927 131.8335 61.9860 30.0827 174.1980 54 D 4.2007 8.3278 124.7459 54.8956 37.3064 175.1653 55 G 3.9531 8.8231 105.5056 45.6073 0.0000 172.2077 56 K 4.4039 7.3916 120.8393 53.7506 31.6235 172.5105 57 P 5.1846 0.0000 0.0000 62.7025 32.7396 175.0596 58 Y 5.2726 8.6715 123.8654 56.0562 42.3069 174.1925 59 L 4.9693 8.7282 119.8297 53.5771 45.6212 176.6125 60 R 4.2615 9.2221 125.0499 56.2610 31.4357 176.2890 61 V 4.7059 9.0278 124.6295 61.0842 34.0679 173.9019 62 Y 4.7606 9.3778 127.6953 57.8310 38.7796 175.2754 63 L 4.4703 8.7987 124.9778 53.7631 42.4476 176.0131 64 K 4.7027 8.3847 123.3465 55.0794 34.6458 174.4853 65 Y 4.9452 8.8598 123.8115 56.4179 41.9186 174.0434 66 G 4.2939 8.7120 107.9022 44.9918 0.0000 171.8673 67 P 4.7470 0.0000 0.0000 61.8671 33.0923 175.9823 68 R 4.0441 8.5772 121.7972 57.0388 30.7123 175.4507 69 R 4.7280 8.3142 120.2684 54.2811 33.3896 175.3249 70 Q 4.2639 8.4335 118.7502 56.1444 29.8962 176.3581 71 G 3.8442 8.6747 108.0981 43.5471 0.0000 170.9973 72 P 4.2014 0.0000 0.0000 63.7396 32.2629 175.6812 73 D 4.4043 8.6956 117.8271 55.0777 39.0492 173.6029 74 P 4.6824 0.0000 0.0000 62.7737 31.1601 176.7197 75 R 4.2350 8.8676 120.6339 55.6706 30.6811 175.1966 76 P 4.4646 0.0000 0.0000 62.2263 31.6914 175.9732 77 E 4.3088 9.0211 124.2362 56.8334 31.0065 175.0918 78 Q 5.0136 8.4193 121.0054 54.0685 31.3046 176.2795 79 V 3.7501 7.8464 121.9293 65.3802 32.3027 176.1196 80 I 4.2430 7.5920 121.7357 60.0728 37.3035 174.8636 81 H 4.5028 8.5609 122.3080 56.5681 29.4328 175.3334 82 H 4.1064 7.1982 117.6765 55.0408 33.2593 172.2641 83 I 4.4744 7.6606 125.4610 59.2667 41.1314 174.3150 84 R 4.4197 7.9937 127.4421 55.1212 33.8027 174.0815 85 R 3.7601 8.6590 127.0983 57.7645 30.6545 174.3456 86 I 3.8019 8.3464 125.0857 61.9904 37.4850 175.9861 87 S 3.9340 6.4824 127.6198 59.3256 62.7985 173.6932 88 K 4.5791 8.1419 127.3722 53.7847 33.9352 176.2262 89 P 4.1586 0.0000 0.0000 65.6710 31.2491 177.6042 90 G 3.7847 7.9098 105.3395 46.0149 0.0000 173.9661 91 R 4.4309 7.5713 114.9696 55.1558 32.1453 173.0059 92 R 3.6015 8.2485 120.6704 55.9656 30.8526 176.4646 93 V 4.0502 7.8417 122.0278 61.5605 33.1681 173.5932 94 Y 5.2651 8.1529 125.0736 56.5194 40.4308 175.8274 95 V 4.7169 8.3490 113.7534 59.7785 36.5857 175.8238 96 G 3.9891 9.8582 113.8660 44.1920 0.0000 175.1929 97 V 4.2364 8.2154 118.0662 63.8691 31.1530 177.5594 98 K 4.2295 7.9426 117.3027 57.4074 32.3440 177.0831 99 E 4.3580 8.0970 117.6621 56.5882 30.0746 176.7983 100 I 3.7525 7.7295 119.8661 60.9375 37.5965 174.1669 101 P 4.5075 0.0000 0.0000 62.8725 31.8570 176.8138 102 R 4.4877 7.9535 119.5984 53.5667 29.9757 174.4987 103 V 3.4294 8.0042 120.3617 64.3213 32.9611 175.8240 104 R 3.1330 9.1609 126.2810 59.6596 27.8419 175.6728 105 R 3.7034 8.5909 111.2938 57.0968 28.4560 177.2323 106 G 4.1360 8.1979 108.3175 45.8722 0.0000 176.0824 107 L 4.0416 8.2221 119.3054 57.1218 41.7188 177.7193 108 G 4.1648 7.7512 106.6236 44.6638 0.0000 171.4782 109 I 5.3169 8.8375 118.2374 58.1702 40.4954 174.8473 110 A 4.9979 8.2242 124.2232 50.1768 19.6485 175.2572 111 I 4.1325 7.7651 122.7116 61.6125 38.9583 175.5973 112 L 4.8021 8.5509 122.9415 55.0115 44.2893 173.6198 113 S 4.9269 8.8182 116.6408 57.8610 63.8415 172.9991 114 T 5.2331 8.6516 116.3410 59.5508 71.4544 174.0782 115 S 4.1923 8.9734 116.7398 60.8656 63.4806 175.4957 116 K 4.3528 7.9269 120.3451 54.9179 31.3157 174.9768 117 G 3.7703 7.9726 106.5204 44.5502 0.0000 170.8263 118 V 4.6417 8.0034 118.5557 61.6179 32.5218 174.8251 119 L 5.2092 8.3997 128.4852 53.1325 45.8554 175.1476 120 T 5.0827 8.3568 109.3018 59.5108 71.9676 174.8400 121 D 4.4026 8.0599 120.9734 56.4375 39.7525 178.3685 122 R 4.2619 8.1450 116.1386 58.3950 31.8549 177.1212 123 E 3.9744 7.7702 115.7866 60.0258 29.4314 179.2208 124 A 3.9862 8.4214 119.8355 55.6223 18.0688 179.6263 125 R 3.8176 8.0029 116.3096 59.4479 29.9418 178.4342 126 K 3.9649 8.4997 119.0490 59.6156 32.3867 178.6409 127 L 4.1384 8.5602 117.7195 54.9966 42.7730 176.9551 128 G 4.0582 8.0975 107.2824 45.7892 0.0000 172.6514 129 V 4.3229 6.9304 119.4864 60.2303 33.1178 175.9257 130 G 4.0370 8.2190 117.1692 46.0617 0.0000 171.5638 131 G 4.2763 7.0948 105.4730 44.6991 0.0000 170.3877 132 E 4.3270 8.4390 121.0628 56.6801 30.6057 176.9367 133 L 4.8137 9.0076 131.7203 54.9657 39.8240 176.8257 134 I 3.8137 8.2994 125.0191 63.1872 37.9724 174.8805 135 C 5.1776 7.6376 113.5798 59.3769 34.5029 171.7810 136 E 4.8747 7.4155 113.3993 55.9987 32.4083 174.4085 137 V 4.2909 9.2347 120.7321 59.7170 35.1646 175.4661 138 W 4.0732 7.3728 118.6513 57.3016 28.9327 174.3697 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 8.30 4.20 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 2 L 7.90 3.35 0.00 1.89 1.77 0.88 0.58 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 3 T 8.74 3.96 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 1.20 0.00 0.00 4 D 7.64 4.73 0.00 2.75 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 5 P 0.00 4.24 0.00 2.20 2.07 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 6 I 7.80 3.64 1.94 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 2.01 0.81 0.92 0.00 0.00 7 A 8.66 3.97 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 8 D 7.83 4.17 0.00 2.72 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 9 M 8.05 3.86 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 10 L 7.73 3.85 0.00 1.76 1.57 0.83 0.70 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 11 T 7.75 3.82 4.29 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 1.16 0.00 0.00 12 R 8.63 3.88 0.00 1.91 1.97 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 13 I 7.82 3.61 2.01 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 1.33 0.67 0.78 0.00 0.00 14 R 9.08 3.80 0.00 1.76 1.98 0.00 3.16 0.00 0.00 3.12 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 15 N 8.17 4.52 0.00 2.83 2.78 0.00 0.00 6.68 8.31 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 16 A 8.04 4.03 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 17 T 8.04 3.96 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 18 R 7.22 3.90 0.00 1.95 1.93 0.00 3.05 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 19 V 6.95 3.90 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 0.63 0.00 0.00 0.97 0.00 0.00 20 Y 8.07 3.28 0.00 2.97 2.49 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 21 K 10.07 4.65 0.00 1.72 1.73 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.35 7.81 22 E 8.29 4.31 0.00 2.20 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 2.52 2.61 0.00 23 S 7.76 5.18 0.00 3.18 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 24 T 8.51 4.66 4.20 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 1.18 0.00 0.00 25 D 9.00 5.66 0.00 2.52 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 26 V 8.08 4.19 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 0.72 0.00 0.00 0.84 0.00 0.00 27 P 0.00 3.74 0.00 1.69 1.54 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.33 0.00 28 A 8.01 3.86 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 29 S 8.71 4.23 0.00 3.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.34 3.78 0.00 1.94 1.99 0.00 3.29 0.00 0.00 3.30 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 31 F 8.35 4.22 0.00 3.12 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 32 K 8.51 3.74 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.48 7.81 33 E 8.10 3.55 0.00 2.06 1.88 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 2.12 2.48 0.00 34 E 7.83 3.89 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 35 I 7.02 3.52 1.74 0.00 0.00 0.58 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 0.25 0.78 0.00 0.00 36 L 7.70 3.99 0.00 1.52 1.31 0.45 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.45 3.99 0.00 2.01 2.15 0.00 3.15 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 38 I 8.22 3.79 1.95 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 1.43 0.81 0.96 0.00 0.00 39 L 7.94 4.09 0.00 2.06 1.78 0.83 0.88 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 40 A 8.40 4.20 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 41 R 8.88 3.93 0.00 1.75 2.08 0.00 3.25 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 42 E 7.63 4.55 0.00 2.08 1.88 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 2.48 2.51 0.00 43 G 10.04 3.68 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 0.00 44 F 8.22 4.81 0.00 3.38 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 45 I 7.45 4.79 2.26 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.81 0.98 0.00 0.00 46 K 8.54 4.04 0.00 1.90 1.97 0.00 1.95 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.52 7.81 47 G 7.25 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 0.00 0.00 0.00 48 Y 7.21 5.38 0.00 3.18 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 49 E 9.12 4.99 0.00 2.11 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 0.00 2.51 2.37 0.00 50 R 8.96 4.64 0.00 1.80 1.98 0.00 3.25 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 51 V 8.07 4.36 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 0.83 0.00 0.00 1.08 0.00 0.00 52 D 8.47 4.59 0.00 2.59 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 9.09 3.87 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 0.69 0.00 0.00 0.48 0.00 0.00 54 D 8.33 4.20 0.00 2.92 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 55 G 8.82 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 56 K 7.39 4.40 0.00 1.94 2.10 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.72 7.81 57 P 0.00 5.18 0.00 2.16 2.35 0.00 3.87 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 58 Y 8.67 5.27 0.00 2.84 2.94 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 59 L 8.73 4.97 0.00 1.47 1.50 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 60 R 9.22 4.26 0.00 1.88 1.37 0.00 3.05 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 61 V 9.03 4.71 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 0.98 0.00 0.00 0.90 0.00 0.00 62 Y 9.38 4.76 0.00 3.13 2.98 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 0.00 0.00 0.00 63 L 8.80 4.47 0.00 1.92 1.21 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.38 4.70 0.00 1.94 1.79 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.49 7.81 65 Y 8.86 4.95 0.00 2.81 2.94 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 66 G 8.71 4.29 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 0.00 67 P 0.00 4.75 0.00 2.13 2.19 0.00 3.75 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 2.07 1.97 0.00 68 R 8.58 4.04 0.00 1.79 1.86 0.00 3.12 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 69 R 8.31 4.73 0.00 1.79 1.79 0.00 3.28 0.00 0.00 3.45 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 70 Q 8.43 4.26 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.38 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 71 G 8.67 3.84 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 0.00 0.00 0.00 72 P 0.00 4.20 0.00 2.06 2.02 0.00 3.84 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 2.04 2.09 0.00 73 D 8.70 4.40 0.00 2.88 2.67 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 74 P 0.00 4.68 0.00 2.19 2.23 0.00 3.82 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 1.97 1.98 0.00 75 R 8.87 4.24 0.00 1.80 2.07 0.00 3.43 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 76 P 0.00 4.46 0.00 2.05 1.90 0.00 2.70 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.25 0.00 77 E 9.02 4.31 0.00 2.14 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 2.47 2.47 0.00 78 Q 8.42 5.01 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.75 2.59 0.00 79 V 7.85 3.75 2.19 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 1.01 0.00 0.00 0.96 0.00 0.00 80 I 7.59 4.24 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.75 0.54 0.00 0.00 81 H 8.56 4.50 0.00 3.04 3.39 0.00 5.93 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.20 4.11 0.00 2.21 1.31 0.00 5.72 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.66 4.47 1.52 0.00 0.00 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 1.03 0.81 0.68 0.00 0.00 84 R 7.99 4.42 0.00 1.65 1.61 0.00 3.16 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 85 R 8.66 3.76 0.00 1.82 1.77 0.00 3.39 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 86 I 8.35 3.80 2.09 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.02 0.91 0.00 0.00 87 S 6.48 3.93 0.00 3.91 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 88 K 8.14 4.58 0.00 1.81 1.66 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.55 7.81 89 P 0.00 4.16 0.00 2.15 2.16 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 90 G 7.91 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.57 4.43 0.00 1.67 1.74 0.00 3.25 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.47 0.00 92 R 8.25 3.60 0.00 1.43 1.31 0.00 3.47 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 93 V 7.84 4.05 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 1.06 0.00 0.00 0.90 0.00 0.00 94 Y 8.15 5.27 0.00 2.94 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 95 V 8.35 4.72 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 0.77 0.00 0.00 1.06 0.00 0.00 96 G 9.86 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 0.00 0.00 0.00 97 V 8.22 4.24 2.20 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 0.78 0.00 0.00 0.97 0.00 0.00 98 K 7.94 4.23 0.00 1.78 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.46 7.81 99 E 8.10 4.36 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 2.31 2.29 0.00 100 I 7.73 3.75 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.94 0.00 0.00 101 P 0.00 4.51 0.00 2.08 2.01 0.00 3.65 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 2.06 2.13 0.00 102 R 7.95 4.49 0.00 1.72 1.83 0.00 3.26 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 103 V 8.00 3.43 2.29 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 1.40 0.00 0.00 1.07 0.00 0.00 104 R 9.16 3.13 0.00 1.43 1.74 0.00 2.55 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 105 R 8.59 3.70 0.00 1.81 1.92 0.00 3.35 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 106 G 8.20 4.14 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 0.00 0.00 0.00 107 L 8.22 4.04 0.00 1.62 1.77 0.88 0.85 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 0.00 108 G 7.75 4.16 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 0.00 0.00 0.00 109 I 8.84 5.32 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.57 1.23 0.00 0.00 110 A 8.22 5.00 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 I 7.77 4.13 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.07 0.88 0.00 0.00 112 L 8.55 4.80 0.00 1.99 1.88 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.82 4.93 0.00 4.22 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 0.00 114 T 8.65 5.23 4.39 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 1.31 0.00 0.00 115 S 8.97 4.19 0.00 3.99 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 0.00 116 K 7.93 4.35 0.00 1.80 1.82 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.36 7.81 117 G 7.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.00 4.64 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 0.90 0.00 0.00 1.02 0.00 0.00 119 L 8.40 5.21 0.00 1.60 1.62 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.36 5.08 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 1.34 0.00 0.00 121 D 8.06 4.40 0.00 2.97 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 0.00 122 R 8.15 4.26 0.00 1.87 1.98 0.00 3.18 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 123 E 7.77 3.97 0.00 2.19 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 2.40 0.00 124 A 8.42 3.99 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 0.00 125 R 8.00 3.82 0.00 2.00 2.18 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 126 K 8.50 3.96 0.00 1.85 1.99 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.49 7.81 127 L 8.56 4.14 0.00 1.78 1.73 0.93 1.14 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 0.00 128 G 8.10 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 0.00 129 V 6.93 4.32 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 0.87 0.00 0.00 1.02 0.00 0.00 130 G 8.22 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 0.00 0.00 0.00 131 G 7.09 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 0.00 0.00 0.00 0.00 132 E 8.44 4.33 0.00 2.36 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 133 L 9.01 4.81 0.00 1.78 1.64 0.94 1.02 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 0.00 134 I 8.30 3.81 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.95 0.00 0.00 135 C 7.64 5.18 0.00 3.25 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 0.00 136 E 7.42 4.87 0.00 2.45 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 2.26 2.32 0.00 137 V 9.23 4.29 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 0.12 0.00 0.00 0.71 0.00 0.00 138 W 7.37 4.07 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