NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5040 8.2893 120.3276 54.9780 33.3784 175.2719 2 S 4.0772 8.4785 114.2075 60.8211 63.3264 173.5711 3 T 4.0627 7.7604 118.6413 63.4167 69.6366 174.7978 4 T 4.5812 8.3413 115.9946 59.5242 71.1867 173.3675 5 L 4.5211 8.2187 124.6101 52.8520 43.9085 175.7201 6 A 4.2332 8.5414 128.9549 52.0097 19.3682 175.6758 7 I 5.0431 8.3630 122.4408 59.0850 41.6769 174.4619 8 V 4.2735 8.6801 128.4318 61.3080 33.9667 174.9305 9 R 4.4200 8.6642 127.7932 54.8825 28.4494 175.7114 10 L 4.0562 8.4789 123.6427 56.9128 42.9581 176.6518 11 D 4.7539 8.2916 119.7743 51.7187 41.6717 174.6891 12 P 4.4893 0.0000 0.0000 64.1418 31.8479 177.5632 13 G 3.6580 8.1550 107.9633 47.1981 0.0000 173.6465 14 L 4.4700 6.8947 118.5133 52.1940 43.6254 174.6915 15 P 4.3066 0.0000 0.0000 61.8222 31.9894 176.3172 16 L 4.1475 8.0650 122.6368 54.0474 42.7203 175.2265 17 P 4.6822 0.0000 0.0000 63.0032 31.8629 175.5077 18 S 4.6484 8.2144 114.7498 56.9464 66.2091 172.8335 19 R 4.3648 8.2855 120.5375 54.6129 30.8706 175.7396 20 A 4.0448 8.7519 128.7090 54.9430 18.8594 176.7919 21 H 5.1204 8.1154 111.2566 53.6012 32.6835 174.2863 22 D 4.3746 9.0744 121.2071 57.4999 40.5467 178.4804 23 G 4.0100 7.8718 103.3243 44.8814 0.0000 173.1957 24 D 4.3971 7.8955 119.8076 54.4801 41.3711 176.9494 25 A 4.0879 8.7630 126.2026 54.7259 18.6556 176.8799 26 G 4.2801 7.6175 99.9316 45.0916 0.0000 171.9834 27 V 4.7354 8.4350 112.0908 59.1679 34.9578 175.6332 28 D 4.8359 8.7289 125.0808 54.5334 41.5182 175.8647 29 L 4.6509 8.5792 123.3501 53.9284 44.1433 175.5286 30 Y 5.0835 8.5805 118.7051 56.5858 41.4372 174.2642 31 S 5.0027 8.7739 115.8907 57.5274 63.5835 174.3084 32 A 4.6284 9.0683 128.7404 52.6538 19.0205 176.1986 33 E 4.7877 8.1662 112.5288 54.6033 33.5971 174.5304 34 D 5.0509 8.5341 119.5758 53.2952 42.7346 176.0213 35 V 4.7672 8.8921 122.4142 61.2935 35.7549 173.2254 36 E 5.0369 8.6728 125.3023 54.4072 32.7966 174.3501 37 L 4.7442 8.8236 126.7671 52.7951 44.0216 176.2596 38 A 4.4862 8.5353 125.7784 50.5300 20.1814 174.7298 39 P 4.2486 0.0000 0.0000 64.5781 31.6047 177.5114 40 G 3.9581 8.9610 111.4427 45.3359 0.0000 173.2782 41 R 4.6903 7.9011 119.2595 54.8271 32.5268 175.8540 42 R 5.0681 7.9478 117.7472 54.9233 32.9870 174.5347 43 A 4.3351 8.5028 116.1706 51.1851 23.1925 175.4062 44 L 4.5761 8.7462 124.9328 54.0313 42.9418 175.6648 45 V 4.4104 8.7301 127.5745 61.3052 33.8493 175.0703 46 R 4.6177 8.4332 125.4063 56.3542 31.0615 177.0465 47 T 5.0155 8.0207 111.7957 60.1015 69.9624 175.6838 48 G 3.9729 8.8796 111.0742 45.9467 0.0000 173.2508 49 V 5.5762 7.7404 110.3395 58.2427 36.3932 174.4250 50 A 5.0747 8.4308 123.0832 50.4668 22.3184 175.5374 51 V 4.9082 8.5888 113.8298 59.5582 35.7752 175.8530 52 A 4.6596 8.4294 123.9125 49.4257 18.5286 174.8596 53 V 3.6050 8.0259 119.8761 61.9465 32.7272 174.0673 54 P 4.4308 0.0000 0.0000 62.4550 31.8817 175.6103 55 F 4.2851 8.6502 123.4908 59.7631 39.9144 175.6093 56 G 3.6921 7.9258 113.8738 45.7015 0.0000 172.3618 57 M 5.2958 7.5785 117.8262 53.2384 36.0014 174.8447 58 V 4.5113 8.8491 118.6093 60.2409 35.2845 174.4780 59 G 4.3150 8.9855 110.7544 45.3242 0.0000 172.5478 60 L 5.3114 8.9317 123.5467 52.7200 45.6098 175.7549 61 V 4.4401 8.7886 125.3279 62.4183 32.6869 174.4377 62 H 5.3412 8.9890 125.5650 53.4857 31.6360 172.7298 63 P 4.7691 0.0000 0.0000 62.3072 32.6370 176.0479 64 R 4.3835 8.3520 121.1902 55.3441 31.4253 178.2216 65 S 4.2955 8.7186 117.9909 61.3627 63.1064 176.3949 66 G 3.6715 8.1679 108.9140 48.1056 0.0000 175.2827 67 L 3.9647 7.8929 120.9574 56.8571 41.7320 179.3852 68 A 4.8513 7.6265 121.6539 55.1358 18.0296 179.7211 69 T 3.8586 7.9621 113.9996 66.6055 68.4898 177.1656 70 R 4.0312 7.9275 119.2049 58.8988 30.3452 178.1434 71 V 4.2822 7.3140 106.4596 60.3363 33.1798 175.7649 72 G 4.3497 7.8190 108.4504 45.9403 0.0000 173.3134 73 L 4.5065 7.7368 121.9990 54.9066 43.4445 175.7722 74 S 4.7897 8.9041 119.0655 57.3047 67.2199 171.9614 75 I 4.8205 8.0604 120.6938 59.5181 39.3251 176.4395 76 V 3.6018 8.6155 128.7843 65.2507 31.6045 177.7374 77 N 4.9057 7.8094 114.8100 52.3199 37.8875 174.7672 78 S 4.2149 7.8205 114.2332 58.7832 62.9629 171.3248 79 P 4.7269 0.0000 0.0000 61.7065 32.2939 176.0847 80 G 3.7314 8.8383 112.3660 46.7463 0.0000 172.1458 81 T 4.9191 8.4080 120.6630 61.8805 70.3328 174.1451 82 I 4.2586 8.6235 128.7048 59.3851 39.0360 175.4125 83 D 4.6555 8.5346 127.3152 53.6199 41.5014 177.6588 84 A 4.2486 8.1898 124.6359 54.4748 18.4425 179.3053 85 G 3.8129 8.0491 103.2354 47.5270 0.0000 173.6449 86 Y 4.2933 7.9589 121.7750 58.2737 38.9111 175.8035 87 R 4.3333 8.1698 124.1976 55.7038 31.3287 176.0424 88 G 3.4659 5.3800 107.7330 43.9593 0.0000 172.9753 89 E 4.3240 8.3075 119.6034 55.7349 30.6348 176.3007 90 I 4.3006 8.8274 127.1000 61.1410 38.2139 175.1355 91 K 5.0751 8.7599 125.7301 54.5100 35.7002 175.4920 92 V 4.2483 8.5695 123.0946 61.1379 33.8448 175.2363 93 A 4.4240 8.4590 130.9791 51.1476 17.2895 175.5450 94 L 4.6769 8.5722 121.4157 54.3154 43.6531 176.0166 95 I 4.8886 8.7879 122.0608 59.4524 42.3004 173.6748 96 N 4.9901 8.8170 127.6049 52.5683 39.0990 174.8832 97 L 4.4922 8.5648 125.8188 54.9843 42.3146 177.2138 98 D 4.5442 8.3241 119.5892 53.2223 41.8899 174.5351 99 P 4.3832 0.0000 0.0000 64.9411 31.5266 177.1931 100 A 4.5644 8.0495 116.2313 50.8819 20.5987 174.9375 101 A 4.7422 8.5867 118.4983 49.4732 20.4219 175.5460 102 P 4.6044 0.0000 0.0000 62.6293 32.5178 175.8111 103 I 4.4849 8.3933 123.6033 59.5798 39.8347 174.7189 104 V 4.4778 8.3438 125.8573 61.1084 33.4945 174.4967 105 V 4.3471 8.7976 128.6796 61.5639 33.6316 174.0645 106 H 6.1002 9.2075 124.7932 53.0122 31.6383 174.3224 107 R 4.3429 8.8481 121.9575 58.1168 30.3774 176.6884 108 G 4.1626 9.2399 113.9666 45.3086 0.0000 173.6912 109 D 4.6276 8.2080 119.8418 54.3063 42.3244 176.1391 110 R 4.5349 8.4547 121.3378 55.5665 30.0227 176.2117 111 I 4.2739 8.0547 117.4093 61.3383 39.0946 174.8658 112 A 4.6222 7.3156 123.2917 51.7468 22.6454 174.4105 113 Q 4.8163 8.5587 114.1341 54.8570 32.4205 173.6924 114 L 4.9481 9.1777 125.0293 53.6914 43.9211 175.1917 115 L 5.0293 8.7918 126.1650 52.9998 45.0970 175.5006 116 V 4.9129 8.1542 119.8798 61.4983 34.3105 174.5209 117 Q 4.7096 8.8151 125.1766 54.1609 33.6586 174.6112 118 R 4.7157 8.5144 119.4836 56.1046 31.2242 176.5298 119 V 4.4882 8.3526 120.3288 59.9150 34.6586 175.2621 120 E 4.1622 8.7474 122.8435 56.0302 29.7648 177.9059 121 L 4.3145 8.0844 128.1656 53.0569 40.3247 177.2227 122 V 3.7390 7.3873 113.2338 61.3786 32.6744 175.6030 123 E 4.5914 8.4131 122.4329 54.2438 31.0225 175.7139 124 L 4.2559 8.3721 126.4567 54.3999 42.5642 176.6921 125 V 4.2829 8.0075 121.0820 60.8494 33.7321 174.6194 126 E 4.1981 8.7459 128.5784 56.0035 30.7218 176.0960 127 V 4.5462 7.8647 117.6749 59.2645 35.5219 176.9280 128 S 3.9633 8.5931 117.4560 61.2477 63.1738 173.9341 129 S 4.2750 6.9614 112.6016 57.4442 67.1002 174.3298 130 F 4.5808 8.3507 119.1253 58.0185 38.8226 176.1566 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 4.50 0.00 2.03 2.10 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 2.51 2.54 0.00 2 S 8.48 4.08 0.00 4.06 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 3 T 7.76 4.06 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 1.23 0.00 0.00 4 T 8.34 4.58 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 1.26 0.00 0.00 5 L 8.22 4.52 0.00 1.57 1.59 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.54 4.23 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 7 I 8.36 5.04 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 1.24 1.16 0.92 0.00 0.00 8 V 8.68 4.27 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 0.91 0.00 0.00 0.92 0.00 0.00 9 R 8.66 4.42 0.00 1.72 2.00 0.00 3.26 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 10 L 8.48 4.06 0.00 1.57 1.75 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.29 4.75 0.00 2.66 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 0.00 0.00 0.00 0.00 12 P 0.00 4.49 0.00 2.20 2.13 0.00 3.81 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 1.97 1.94 0.00 13 G 8.15 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 0.00 0.00 0.00 14 L 6.89 4.47 0.00 1.62 1.29 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.31 0.00 1.57 1.80 0.00 2.38 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.80 0.00 16 L 8.07 4.15 0.00 1.57 1.56 0.92 0.95 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 17 P 0.00 4.68 0.00 2.15 2.21 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 18 S 8.21 4.65 0.00 3.93 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 19 R 8.29 4.36 0.00 1.79 1.87 0.00 3.25 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 20 A 8.75 4.04 1.13 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 0.00 0.00 21 H 8.12 5.12 0.00 3.52 3.14 0.00 5.85 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 9.07 4.37 0.00 2.68 2.77 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 23 G 7.87 4.01 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 24 D 7.90 4.40 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.76 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.62 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 27 V 8.43 4.74 2.16 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 0.75 0.00 0.00 0.99 0.00 0.00 28 D 8.73 4.84 0.00 2.34 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.58 4.65 0.00 1.57 1.59 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.58 5.08 0.00 2.94 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 31 S 8.77 5.00 0.00 3.95 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 32 A 9.07 4.63 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 33 E 8.17 4.79 0.00 1.96 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 2.21 2.29 0.00 34 D 8.53 5.05 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.89 4.77 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 0.97 0.00 0.00 0.94 0.00 0.00 36 E 8.67 5.04 0.00 1.94 1.74 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 2.16 2.40 0.00 37 L 8.82 4.74 0.00 1.59 1.70 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.54 4.49 1.24 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 39 P 0.00 4.25 0.00 2.05 2.23 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 40 G 8.96 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 41 R 7.90 4.69 0.00 1.90 1.84 0.00 3.08 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 42 R 7.95 5.07 0.00 1.88 1.92 0.00 3.07 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 43 A 8.50 4.34 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 44 L 8.75 4.58 0.00 1.65 1.61 0.95 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 45 V 8.73 4.41 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 1.00 0.00 0.00 0.99 0.00 0.00 46 R 8.43 4.62 0.00 1.91 2.09 0.00 3.17 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 47 T 8.02 5.02 4.37 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 1.26 0.00 0.00 48 G 8.88 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 49 V 7.74 5.58 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 1.06 0.00 0.00 0.99 0.00 0.00 50 A 8.43 5.07 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 51 V 8.59 4.91 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 0.77 0.00 0.00 0.99 0.00 0.00 52 A 8.43 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.03 3.60 2.13 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 1.04 0.00 0.00 1.00 0.00 0.00 54 P 0.00 4.43 0.00 2.25 2.02 0.00 3.68 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 2.14 2.12 0.00 55 F 8.65 4.29 0.00 2.96 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 56 G 7.93 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.58 5.30 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 58 V 8.85 4.51 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 0.74 0.00 0.00 0.98 0.00 0.00 59 G 8.99 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 0.00 0.00 0.00 0.00 60 L 8.93 5.31 0.00 1.51 1.61 0.94 0.65 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 61 V 8.79 4.44 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 0.95 0.00 0.00 0.94 0.00 0.00 62 H 8.99 5.34 0.00 3.06 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.77 0.00 1.93 1.96 0.00 3.65 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 2.00 2.10 0.00 64 R 8.35 4.38 0.00 1.85 1.82 0.00 3.04 0.00 0.00 3.44 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 65 S 8.72 4.30 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 66 G 8.17 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 67 L 7.89 3.96 0.00 1.69 1.73 0.90 0.84 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 68 A 7.63 4.85 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 T 7.96 3.86 4.37 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 1.21 0.00 0.00 70 R 7.93 4.03 0.00 1.77 2.01 0.00 3.10 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 71 V 7.31 4.28 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 0.72 0.00 0.00 1.00 0.00 0.00 72 G 7.82 4.35 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 0.00 73 L 7.74 4.51 0.00 1.80 1.53 0.91 0.83 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 74 S 8.90 4.79 0.00 3.89 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 75 I 8.06 4.82 1.86 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 1.22 0.64 1.01 0.00 0.00 76 V 8.62 3.60 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 0.74 0.00 0.00 0.96 0.00 0.00 77 N 7.81 4.91 0.00 2.83 2.85 0.00 0.00 5.95 7.64 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 78 S 7.82 4.21 0.00 3.91 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.73 0.00 2.12 1.96 0.00 3.80 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 80 G 8.84 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 81 T 8.41 4.92 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 82 I 8.62 4.26 1.89 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 1.35 1.00 1.03 0.00 0.00 83 D 8.53 4.66 0.00 2.75 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 84 A 8.19 4.25 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 85 G 8.05 3.81 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 0.00 0.00 0.00 86 Y 7.96 4.29 0.00 2.84 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 87 R 8.17 4.33 0.00 1.66 1.76 0.00 3.38 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.48 0.00 88 G 5.38 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.31 4.32 0.00 1.95 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 2.34 2.52 0.00 90 I 8.83 4.30 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.96 0.00 0.00 91 K 8.76 5.08 0.00 1.62 1.76 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.64 7.81 92 V 8.57 4.25 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 1.00 0.00 0.00 0.94 0.00 0.00 93 A 8.46 4.42 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 94 L 8.57 4.68 0.00 1.66 1.59 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.79 4.89 1.86 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 1.11 1.45 0.93 0.00 0.00 96 N 8.82 4.99 0.00 2.82 2.82 0.00 0.00 7.18 6.81 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 97 L 8.56 4.49 0.00 1.74 1.68 0.91 0.82 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 98 D 8.32 4.54 0.00 2.79 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 99 P 0.00 4.38 0.00 2.08 2.09 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 100 A 8.05 4.56 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 0.00 101 A 8.59 4.74 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 0.00 102 P 0.00 4.60 0.00 1.94 1.99 0.00 3.64 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 2.02 2.11 0.00 103 I 8.39 4.48 1.86 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 1.11 0.80 0.90 0.00 0.00 104 V 8.34 4.48 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 0.64 0.00 0.00 0.91 0.00 0.00 105 V 8.80 4.35 2.16 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 1.01 0.00 0.00 0.92 0.00 0.00 106 H 9.21 6.10 0.00 3.45 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.85 4.34 0.00 1.80 1.87 0.00 3.31 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 108 G 9.24 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 D 8.21 4.63 0.00 2.74 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 0.00 110 R 8.45 4.53 0.00 1.54 1.63 0.00 3.09 0.00 0.00 3.33 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.35 0.00 111 I 8.05 4.27 1.86 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 1.27 0.58 0.91 0.00 0.00 112 A 7.32 4.62 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 0.00 113 Q 8.56 4.82 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 114 L 9.18 4.95 0.00 1.73 1.56 0.98 0.54 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 0.00 115 L 8.79 5.03 0.00 1.51 1.46 0.59 0.51 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 0.00 116 V 8.15 4.91 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 0.82 0.00 0.00 0.93 0.00 0.00 117 Q 8.82 4.71 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 118 R 8.51 4.72 0.00 1.68 1.83 0.00 3.14 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 119 V 8.35 4.49 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 0.62 0.00 0.00 0.89 0.00 0.00 120 E 8.75 4.16 0.00 1.96 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 2.29 2.26 0.00 121 L 8.08 4.31 0.00 1.58 1.58 0.40 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.39 3.74 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 0.71 0.00 0.00 0.93 0.00 0.00 123 E 8.41 4.59 0.00 1.91 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 2.20 2.30 0.00 124 L 8.37 4.26 0.00 1.67 1.59 0.93 0.89 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 0.00 125 V 8.01 4.28 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 0.81 0.00 0.00 0.94 0.00 0.00 126 E 8.75 4.20 0.00 1.96 1.81 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 2.25 2.29 0.00 127 V 7.86 4.55 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 0.85 0.00 0.00 0.79 0.00 0.00 128 S 8.59 3.96 0.00 3.92 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 0.00 129 S 6.96 4.27 0.00 3.85 3.72 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 0.00 130 F 8.35 4.58 0.00 3.07 2.88 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