NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1637 8.2893 120.2980 55.5913 33.3642 174.8956 2 H 4.5077 8.3759 120.1022 54.2525 31.0649 171.2836 3 L 4.8680 8.1783 124.3442 52.7736 45.1002 178.1814 4 T 4.2607 8.3022 112.7743 60.6271 71.1220 174.1284 5 P 4.2065 0.0000 0.0000 65.6120 31.2281 178.6319 6 E 3.9211 8.0621 117.6998 59.3617 29.6687 178.6115 7 E 3.9434 8.1890 118.6410 59.1590 29.4414 179.4254 8 K 3.8647 8.1440 118.5768 59.7345 32.0993 179.5779 9 S 4.1030 8.1613 115.0343 61.4159 62.7874 176.7050 10 A 3.9765 7.9730 123.5649 54.9918 18.1543 179.7779 11 V 3.4008 7.7930 116.7115 66.5734 31.5770 178.4346 12 T 3.9838 8.0998 115.2563 66.4703 68.0348 176.5895 13 A 4.0171 8.0740 121.9212 55.1962 18.7126 179.1431 14 L 3.8980 7.9503 118.6180 57.9971 42.1936 178.9464 15 W 4.3378 8.7711 128.2301 59.9571 30.4224 177.8593 16 G 3.8392 8.0488 104.1930 46.4615 0.0000 174.1598 17 K 4.4618 7.7808 118.9449 56.0183 32.6359 176.2736 18 V 3.6899 7.2846 120.1810 61.9199 32.0740 175.8505 19 N 4.5034 8.2649 125.4697 52.4087 38.8988 175.3850 20 V 3.4884 8.1127 128.5690 66.1596 31.7131 177.3822 21 D 4.3310 8.0513 118.1416 57.1358 40.7922 178.2117 22 E 3.8620 8.4870 119.9249 59.2672 29.5985 179.0540 23 V 3.6173 7.9894 118.6703 65.6376 31.5352 178.1979 24 G 3.7475 8.4532 106.0236 47.9435 0.0000 175.9955 25 G 3.6452 8.0180 108.7768 47.2533 0.0000 175.4401 26 E 3.9744 8.3523 121.4580 58.8239 29.6379 178.7883 27 A 3.9693 8.3163 121.3140 55.3076 18.6184 179.0451 28 Y 3.8061 8.3150 118.2483 60.3472 38.8208 178.2227 29 G 3.5956 8.3209 106.9608 47.9477 0.0000 176.0511 30 R 3.9231 8.1023 120.7442 58.3626 30.0038 178.9632 31 L 3.9030 7.8707 120.4782 58.2681 41.9683 179.1552 32 L 4.0333 7.4631 119.5945 56.7942 41.2311 179.7719 33 V 3.5099 7.4219 117.8274 65.9211 31.6319 178.0033 34 V 3.5294 7.7074 117.0422 64.2170 32.8559 175.6128 35 Y 3.8922 7.0517 116.3000 54.6494 37.7011 174.2421 36 P 4.7393 0.0000 0.0000 63.8173 32.0724 178.2843 37 W 4.3457 7.9977 116.9172 59.2315 28.2907 177.4261 38 T 4.2718 7.4844 109.9787 63.3175 68.2835 175.7038 39 Q 4.5471 8.2514 121.6037 57.5813 28.6318 177.7446 40 R 3.7689 7.5631 116.4119 58.7090 29.2873 177.6702 41 F 4.2373 7.4650 114.9652 58.1534 39.5365 175.6432 42 F 4.5884 7.6216 120.6119 56.8077 39.2426 177.4440 43 E 4.1050 8.2460 122.3535 59.2246 29.6135 179.1436 44 S 4.3139 8.0694 111.1163 59.6079 63.4429 174.5569 45 F 4.7003 8.3978 119.5512 58.0265 39.9741 176.7075 46 G 3.9803 7.5313 107.1737 44.7796 0.0000 175.1873 47 D 4.5365 8.6224 126.8433 54.1999 40.7867 175.5702 48 L 4.9017 8.2828 127.5049 54.4127 42.8756 178.3184 49 S 4.2661 8.5474 116.9521 60.8280 63.1505 174.3576 50 T 4.7480 7.4271 109.5189 58.1365 73.0986 172.8328 51 P 4.1954 0.0000 0.0000 65.9160 31.4389 178.7851 52 D 4.3123 8.0830 116.9660 57.2000 40.5182 178.5674 53 A 4.0291 7.7193 120.7396 54.8492 18.6469 179.6307 54 V 3.6977 8.0491 117.0023 66.6469 31.5072 178.3633 55 M 4.2345 8.1987 117.1109 57.7070 31.8448 178.1161 56 G 3.9435 7.7012 103.2248 43.9415 0.0000 173.3439 57 N 4.4970 7.6171 121.5317 52.5436 39.5213 174.0180 58 P 4.3027 0.0000 0.0000 65.6313 31.4375 178.6955 59 K 3.6535 8.3408 118.8924 58.8867 31.8339 179.4362 60 V 3.7119 7.8057 118.2017 65.9782 31.5992 178.1237 61 K 3.9664 8.1065 118.0854 59.2706 31.8361 179.2546 62 A 3.9238 7.9410 121.1883 55.0277 18.1970 179.4305 63 Q 3.8618 8.0727 118.2265 59.1708 29.0370 178.6850 64 G 3.4512 7.8615 106.6351 47.7625 0.0000 175.6840 65 K 3.9757 7.9974 121.0914 58.9431 31.8852 179.4165 66 K 3.9256 7.9570 119.7793 59.5018 32.1884 179.1100 67 V 3.6835 7.9095 118.7387 66.1640 31.4575 178.0366 68 L 4.4177 8.5399 119.0145 57.3845 41.4336 179.6813 69 G 3.7323 8.2478 105.9636 47.7369 0.0000 175.7213 70 A 4.1566 8.0105 123.2621 54.7363 18.1980 179.5006 71 F 4.1730 8.1951 118.5773 61.4782 39.8478 176.9737 72 S 4.1143 8.8141 113.1694 61.7022 62.3789 175.9952 73 D 4.5107 8.3845 121.5725 57.1211 40.4002 178.9389 74 G 3.5801 8.0181 106.4470 47.5702 0.0000 175.4941 75 L 3.7631 7.2490 119.4274 56.5745 41.6094 178.3693 76 A 4.2259 7.4541 118.8011 52.8336 19.2383 176.8617 77 H 4.9026 8.0080 115.6863 55.0287 29.7265 175.9832 78 L 3.9195 8.0003 120.5188 57.6256 41.7364 178.2713 79 D 4.5724 7.9370 116.0037 55.1635 41.8619 176.3030 80 N 4.9588 8.1344 118.2023 51.5683 40.0102 175.2957 81 L 4.1323 7.7812 121.9265 57.7592 41.8044 179.4527 82 K 4.1431 8.0818 118.3500 59.3966 31.8315 179.4534 83 G 3.6066 8.0546 104.4797 48.1402 0.0000 175.4833 84 T 3.8244 7.5626 116.7084 65.2878 68.5436 175.8481 85 F 4.7176 8.0498 117.0759 56.8695 39.4723 177.0329 86 A 4.0774 7.6036 122.2249 56.0427 18.1770 180.6409 87 T 3.9152 7.8629 113.3755 66.6902 68.5649 176.9893 88 L 4.1567 7.9793 120.6017 57.4655 41.7890 179.2084 89 S 4.3404 8.5565 113.7199 61.6049 62.3393 175.9600 90 E 3.9056 8.1052 121.0691 59.4747 29.2466 179.2484 91 L 3.9325 8.0514 120.1662 58.5368 42.0781 178.7960 92 H 4.2289 8.5677 116.2510 58.6705 28.1184 177.3066 93 C 3.5318 7.6541 120.5147 62.4021 31.1780 175.4050 94 D 4.1341 8.1904 119.9145 56.1974 40.5257 177.3841 95 K 4.3239 7.7393 116.6244 57.3441 34.0240 177.1270 96 L 4.1814 7.7642 116.6049 54.7557 42.2480 176.1475 97 H 4.0702 7.0781 114.3242 56.6636 26.5127 175.0609 98 V 4.1057 7.9496 118.8844 61.0696 32.5086 174.8517 99 D 4.3708 8.8573 127.1049 53.9920 41.7046 175.1138 100 P 3.2782 0.0000 0.0000 64.0224 31.8305 177.9429 101 E 3.8998 8.1911 119.3832 59.0994 29.3099 178.1829 102 N 4.2419 7.9714 116.7380 56.3854 38.5550 177.1918 103 F 4.4622 7.4191 118.7603 60.6388 39.0232 177.9929 104 R 3.9692 7.9460 117.2354 59.1967 29.9971 178.8194 105 L 3.7752 7.8157 118.7864 57.6452 41.5740 179.3084 106 L 4.0125 8.1583 120.4275 58.0349 41.9993 179.0939 107 G 3.7344 8.2059 105.6179 48.1969 0.0000 175.4154 108 N 4.4761 8.1547 118.8908 55.8039 38.5023 177.8400 109 V 3.6216 8.0241 119.8903 65.7697 31.5305 177.7934 110 L 3.8851 8.4123 120.5974 58.1409 41.8303 179.1543 111 V 3.5657 7.8253 118.1371 66.2449 31.4740 177.7770 112 C 4.0728 8.0680 116.4955 62.7751 27.8447 176.3577 113 V 3.5283 7.9322 119.9275 65.8676 31.0597 178.0869 114 L 3.8479 8.0233 118.8784 57.6282 41.3594 179.3070 115 A 3.6107 7.3946 120.7577 55.2537 18.0483 179.1474 116 H 4.0895 7.9915 115.7816 59.7065 29.9984 176.7285 117 H 3.9517 8.2527 119.4000 58.3193 30.0774 176.3085 118 F 4.6950 8.4347 117.7298 56.0278 39.8390 177.1831 119 G 3.8433 8.6773 108.9763 46.3431 0.0000 177.6899 120 K 4.0683 8.8337 122.8594 58.9521 32.5939 177.8569 121 E 4.0666 8.0310 119.7023 58.5484 29.9296 177.0810 122 F 4.5064 8.2206 123.2141 57.1766 37.8554 175.0648 123 T 4.2804 7.3569 116.4029 59.7888 71.5969 173.6173 124 P 4.1749 0.0000 0.0000 65.5836 31.2856 177.2346 125 P 4.2374 0.0000 0.0000 65.3389 31.2851 178.9390 126 V 3.5291 7.3751 116.7682 65.8442 31.3846 177.7819 127 Q 3.6078 7.9553 119.4822 59.0855 28.8792 178.1603 128 A 4.0164 8.0862 121.4541 55.0877 18.3596 179.5089 129 A 3.8744 7.9634 119.0973 55.6856 18.4862 179.5674 130 Y 3.9304 8.2468 115.1667 61.1565 37.8795 178.8932 131 Q 4.1568 8.7286 119.6895 58.8251 28.7534 178.9054 132 K 3.9492 8.0551 119.4487 59.3971 32.0742 179.4816 133 V 3.5051 7.7001 118.4177 66.2839 31.4362 178.5830 134 V 3.8014 8.4412 112.2338 64.2324 31.2493 178.4906 135 A 4.1192 8.1956 120.9758 55.0126 18.1433 179.9200 136 G 3.4868 8.3024 104.4436 47.8157 0.0000 176.1782 137 V 3.3172 7.9668 120.5851 65.6282 31.5604 177.9986 138 A 3.8633 8.0842 120.5634 55.2605 17.9753 179.3920 139 N 4.3208 8.3324 114.2916 56.3066 38.3338 177.2410 140 A 4.1486 8.1717 122.4666 55.0950 18.2932 179.5836 141 L 3.9604 7.8987 116.2132 56.7452 42.0325 178.4498 142 A 4.4205 7.6725 119.2560 52.9159 18.9365 178.3904 143 H 4.2606 7.8932 115.9530 58.5426 29.9680 175.7786 144 K 4.4439 8.0007 117.3980 56.1816 32.2394 176.3612 145 Y 4.1588 7.9839 117.7264 58.4953 38.3856 175.8426 146 H 4.4714 8.3424 117.5810 56.1327 28.3730 173.2366 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 4.16 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 2 H 8.38 4.51 0.00 3.27 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.18 4.87 0.00 1.58 1.55 0.82 0.94 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 4 T 8.30 4.26 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 5 P 0.00 4.21 0.00 2.16 2.13 0.00 3.58 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 2.10 2.13 0.00 6 E 8.06 3.92 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 7 E 8.19 3.94 0.00 2.24 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 2.30 2.32 0.00 8 K 8.14 3.86 0.00 1.89 1.81 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 9 S 8.16 4.10 0.00 3.87 3.91 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 10 A 7.97 3.98 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 11 V 7.79 3.40 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 0.64 0.00 0.00 0.48 0.00 0.00 12 T 8.10 3.98 4.26 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 1.26 0.00 0.00 13 A 8.07 4.02 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 14 L 7.95 3.90 0.00 1.87 1.94 0.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.77 4.34 0.00 3.81 3.21 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 16 G 8.05 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 17 K 7.78 4.46 0.00 1.95 2.03 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.54 7.81 18 V 7.28 3.69 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 -0.12 0.00 0.00 0.71 0.00 0.00 19 N 8.26 4.50 0.00 2.71 2.71 0.00 0.00 6.84 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 20 V 8.11 3.49 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 1.28 0.00 0.00 0.94 0.00 0.00 21 D 8.05 4.33 0.00 2.83 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 22 E 8.49 3.86 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 23 V 7.99 3.62 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 0.98 0.00 0.00 0.69 0.00 0.00 24 G 8.45 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 25 G 8.02 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 0.00 0.00 0.00 26 E 8.35 3.97 0.00 2.19 1.91 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 2.28 2.43 0.00 27 A 8.32 3.97 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 28 Y 8.31 3.81 0.00 3.29 2.99 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 29 G 8.32 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.10 3.92 0.00 1.88 1.91 0.00 3.07 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 31 L 7.87 3.90 0.00 1.64 1.48 0.84 0.02 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 32 L 7.46 4.03 0.00 1.89 1.66 0.73 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.42 3.51 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 0.70 0.00 0.00 0.94 0.00 0.00 34 V 7.71 3.53 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.75 0.00 0.00 35 Y 7.05 3.89 0.00 2.67 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 36 P 0.00 4.74 0.00 2.33 2.29 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.88 0.00 37 W 8.00 4.35 0.00 3.54 3.45 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 38 T 7.48 4.27 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 1.00 0.00 0.00 39 Q 8.25 4.55 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 40 R 7.56 3.77 0.00 1.63 1.96 0.00 2.99 0.00 0.00 2.72 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.00 41 F 7.47 4.24 0.00 1.51 2.35 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 42 F 7.62 4.59 0.00 2.90 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 0.00 0.00 0.00 0.00 43 E 8.25 4.10 0.00 2.03 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 2.38 2.24 0.00 44 S 8.07 4.31 0.00 4.13 4.10 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 0.00 0.00 0.00 45 F 8.40 4.70 0.00 3.20 3.14 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 46 G 7.53 3.98 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 0.00 0.00 0.00 47 D 8.62 4.54 0.00 2.66 2.65 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 48 L 8.28 4.90 0.00 1.67 1.64 1.03 1.06 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 49 S 8.55 4.27 0.00 4.00 4.07 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 50 T 7.43 4.75 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 1.21 0.00 0.00 51 P 0.00 4.20 0.00 2.15 2.10 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 52 D 8.08 4.31 0.00 2.68 2.71 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 53 A 7.72 4.03 1.47 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 54 V 8.05 3.70 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 1.08 0.00 0.00 0.98 0.00 0.00 55 M 8.20 4.23 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.86 0.00 56 G 7.70 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 57 N 7.62 4.50 0.00 2.99 2.85 0.00 0.00 6.83 8.56 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 58 P 0.00 4.30 0.00 2.23 2.24 0.00 3.71 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 2.02 2.02 0.00 59 K 8.34 3.65 0.00 1.51 0.74 0.00 1.66 0.00 0.00 1.04 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.09 1.21 7.81 60 V 7.81 3.71 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 1.16 0.00 0.00 1.09 0.00 0.00 61 K 8.11 3.97 0.00 1.97 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 A 7.94 3.92 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 63 Q 8.07 3.86 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.84 1.36 0.00 64 G 7.86 3.45 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 65 K 8.00 3.98 0.00 1.97 1.97 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.73 7.81 66 K 7.96 3.93 0.00 2.00 1.97 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 67 V 7.91 3.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.94 0.00 0.00 68 L 8.54 4.42 0.00 2.03 1.89 1.20 0.78 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 69 G 8.25 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 70 A 8.01 4.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.20 4.17 0.00 3.08 3.38 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 72 S 8.81 4.11 0.00 4.54 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 0.00 73 D 8.38 4.51 0.00 2.74 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 74 G 8.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.25 3.76 0.00 1.44 1.42 -0.41 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.45 4.23 1.11 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 0.00 0.00 77 H 8.01 4.90 0.00 3.20 3.15 0.00 5.82 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.00 3.92 0.00 1.55 1.65 0.78 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.94 4.57 0.00 2.64 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 80 N 8.13 4.96 0.00 2.72 2.61 0.00 0.00 7.15 6.54 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 81 L 7.78 4.13 0.00 1.76 1.84 0.92 0.88 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 82 K 8.08 4.14 0.00 1.76 1.81 0.00 1.51 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.45 7.81 83 G 8.05 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 84 T 7.56 3.82 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 85 F 8.05 4.72 0.00 3.17 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 86 A 7.60 4.08 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 87 T 7.86 3.92 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 1.22 0.00 0.00 88 L 7.98 4.16 0.00 2.03 1.86 1.16 0.95 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 89 S 8.56 4.34 0.00 4.05 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 90 E 8.11 3.91 0.00 2.23 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 2.33 2.53 0.00 91 L 8.05 3.93 0.00 1.78 1.86 0.90 0.84 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 92 H 8.57 4.23 0.00 3.61 3.76 0.00 5.86 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 93 C 7.65 3.53 0.00 1.23 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 0.00 0.00 0.00 0.00 94 D 8.19 4.13 0.00 2.71 2.69 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 95 K 7.74 4.32 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.34 7.81 96 L 7.76 4.18 0.00 1.69 1.58 0.68 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.08 4.07 0.00 3.28 3.46 0.00 5.64 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.95 4.11 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 0.40 0.00 0.00 0.46 0.00 0.00 99 D 8.86 4.37 0.00 2.78 2.75 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 0.00 100 P 0.00 3.28 0.00 1.97 1.85 0.00 3.40 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.59 0.00 101 E 8.19 3.90 0.00 2.05 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 2.31 2.39 0.00 102 N 7.97 4.24 0.00 2.59 2.76 0.00 0.00 6.91 7.51 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 0.00 103 F 7.42 4.46 0.00 3.14 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 0.00 104 R 7.95 3.97 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 105 L 7.82 3.78 0.00 1.65 1.25 0.67 -0.26 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 0.00 106 L 8.16 4.01 0.00 1.75 1.87 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.21 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 0.00 108 N 8.15 4.48 0.00 2.81 2.94 0.00 0.00 6.71 7.51 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 0.00 109 V 8.02 3.62 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 1.07 0.00 0.00 1.11 0.00 0.00 110 L 8.41 3.89 0.00 1.71 1.77 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.83 3.57 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 1.38 0.00 0.00 1.18 0.00 0.00 112 C 8.07 4.07 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.93 3.53 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.89 0.00 0.00 114 L 8.02 3.85 0.00 1.08 1.28 0.68 0.92 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 0.00 115 A 7.39 3.61 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 0.00 116 H 7.99 4.09 0.00 3.17 3.42 0.00 5.78 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 0.00 117 H 8.25 3.95 0.00 2.92 2.77 0.00 5.98 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.43 4.70 0.00 3.32 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 0.00 119 G 8.68 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 0.00 120 K 8.83 4.07 0.00 1.92 2.00 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.48 7.81 121 E 8.03 4.07 0.00 2.09 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 0.00 2.32 2.28 0.00 122 F 8.22 4.51 0.00 3.07 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.36 4.28 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 1.28 0.00 0.00 124 P 0.00 4.17 0.00 2.16 2.15 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.24 0.00 2.12 2.07 0.00 3.47 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.38 3.53 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 0.94 0.00 0.00 0.90 0.00 0.00 127 Q 7.96 3.61 0.00 1.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 128 A 8.09 4.02 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 0.00 129 A 7.96 3.87 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 0.00 130 Y 8.25 3.93 0.00 3.25 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 0.00 131 Q 8.73 4.16 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.63 0.00 132 K 8.06 3.95 0.00 1.99 1.83 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.46 7.81 133 V 7.70 3.51 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.76 0.00 0.00 134 V 8.44 3.80 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 0.98 0.00 0.00 1.14 0.00 0.00 135 A 8.20 4.12 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 0.00 136 G 8.30 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 7.97 3.32 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 0.75 0.00 0.00 138 A 8.08 3.86 1.44 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 0.00 139 N 8.33 4.32 0.00 2.84 2.88 0.00 0.00 7.03 7.18 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 0.00 140 A 8.17 4.15 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 0.00 141 L 7.90 3.96 0.00 0.82 0.88 0.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.67 4.42 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 0.00 143 H 7.89 4.26 0.00 3.37 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.00 4.44 0.00 1.87 1.84 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.74 7.81 145 Y 7.98 4.16 0.00 3.11 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 0.00 146 H 8.34 4.47 0.00 3.22 3.24 0.00 5.75 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