NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2030 8.3049 120.1043 54.3345 34.8026 174.2832 2 L 4.4051 5.6200 117.1263 52.2473 46.0048 173.1859 3 D 5.3088 8.7736 120.4161 52.8570 43.8233 175.6366 4 I 5.0642 9.0828 123.7462 59.5600 40.2922 174.7128 5 V 4.8946 9.3401 126.2643 61.1507 34.5669 173.9253 6 L 4.9825 8.9023 128.4424 53.2823 43.6432 175.0517 7 Y 4.4230 9.0804 127.1096 56.5166 39.0654 175.4667 8 E 3.9584 8.2560 129.3031 55.1046 27.9433 173.9745 9 P 4.5915 0.0000 0.0000 63.3637 32.5022 176.8140 10 E 4.2656 9.9682 120.0210 57.5300 31.0507 176.1519 11 I 4.5460 7.8573 120.9950 58.9889 38.2585 174.4907 12 P 3.0498 0.0000 0.0000 65.8514 30.6678 178.1056 13 Q 3.8575 7.9036 118.4677 58.9738 28.9536 177.9513 14 N 4.3076 7.8549 117.5493 56.7350 38.5210 177.6240 15 T 4.0120 7.8552 116.7518 66.3303 68.6683 176.9153 16 G 3.4940 8.2554 108.2947 47.8865 0.0000 175.5967 17 N 4.3458 8.1991 119.0733 56.0394 38.5080 177.6741 18 I 3.6412 7.8210 121.3637 64.1816 37.0836 178.5605 19 I 3.6527 8.0090 121.2571 64.2145 36.8136 178.4269 20 R 4.1488 7.6754 120.4974 58.5976 29.7534 178.2910 21 L 3.8815 8.0098 120.2660 58.5214 42.1715 178.8151 22 C 4.0003 8.4101 116.7646 62.7243 27.7796 176.0609 23 A 3.9986 7.9003 121.6627 55.0458 18.0577 179.0152 24 N 4.5424 8.2669 113.7127 55.0890 38.7873 176.3967 25 T 3.5191 7.2180 109.0601 60.0172 70.1302 175.0539 26 G 3.7949 7.8956 109.4571 45.4600 0.0000 173.4863 27 F 4.3092 7.4405 116.6045 56.8839 40.1572 175.3282 28 R 4.6968 8.5365 120.6238 54.9215 32.2445 175.0466 29 L 5.1772 8.3874 124.4354 53.7043 44.7536 174.4766 30 H 5.4583 9.5894 122.8172 53.9861 32.4715 172.6345 31 L 5.0873 9.1595 122.2054 52.9876 45.0430 175.3394 32 I 4.7881 8.5872 124.8241 59.5659 39.2810 175.5516 33 E 4.5028 9.3356 127.5374 55.0736 30.9983 174.7465 34 P 4.4358 0.0000 0.0000 62.5678 32.2747 176.1290 35 L 4.2297 7.9243 120.9877 53.5986 42.9591 176.8024 36 G 3.9198 8.1719 107.6386 45.1847 0.0000 173.5528 37 F 5.0438 6.2335 113.4649 54.8022 41.4162 174.2882 38 T 4.2478 8.4748 111.4975 61.1427 69.3860 175.6019 39 W 4.9658 8.9404 133.4337 60.4733 30.9936 175.9442 40 D 4.5948 8.1101 116.1653 53.8570 40.3511 175.2726 41 D 4.6469 8.0301 117.5344 52.8807 42.0707 177.3469 42 K 3.9713 8.7832 125.2851 59.8548 32.2302 179.4189 43 R 4.0646 8.7389 113.1330 57.2211 29.5025 177.1148 44 L 4.7042 7.4853 115.7641 54.2677 44.1562 177.6649 45 R 4.2888 8.2552 117.6527 58.1839 30.9109 178.9280 46 R 4.0341 7.8050 115.1747 58.1915 30.3188 178.1068 47 S 4.0637 7.9985 112.2807 60.2985 62.7225 175.0783 48 G 4.0401 7.5166 107.0909 45.0967 0.0000 173.9198 49 L 4.2750 7.3388 119.6951 54.2153 42.5224 175.7764 50 D 4.6134 9.0065 121.7157 52.7219 42.6742 177.3378 51 Y 4.4619 8.1377 123.4072 61.2281 38.1316 178.1337 52 H 4.4848 8.4789 115.8078 58.2730 29.1482 176.1855 53 E 4.1464 8.7282 118.6738 57.7240 29.8444 176.3405 54 F 4.9943 8.0948 118.6483 57.1192 41.2976 176.5293 55 A 3.9062 9.1532 121.0015 54.1690 17.3924 178.0366 56 E 4.4485 8.3338 114.4876 56.0918 29.9076 175.3201 57 I 4.5622 7.6243 118.5600 60.8478 38.7555 175.0138 58 K 4.5728 8.7971 126.1117 54.7093 34.4976 175.3185 59 R 4.8857 8.3700 123.1875 54.7329 32.3658 175.1393 60 H 4.9226 9.1476 120.4254 53.8169 31.2320 175.6015 61 K 4.4197 9.1992 122.1372 58.8223 32.4608 177.3950 62 T 4.7592 7.4663 107.2814 59.0184 73.0486 174.3758 63 F 4.3793 8.9047 122.8691 61.5548 39.4341 176.8647 64 E 3.8252 8.4005 117.5451 59.3924 29.2579 179.0069 65 A 3.9541 8.1748 120.7380 55.0037 18.3510 179.4131 66 F 3.8407 8.0756 119.0890 61.4016 39.4219 177.3610 67 L 3.1969 7.5222 118.4986 57.6366 41.1115 179.4744 68 E 3.8309 7.8941 117.7523 58.9901 29.4210 178.9671 69 S 4.2997 7.9264 113.4688 60.5098 63.6276 175.6815 70 E 4.0363 7.8477 120.7692 55.5241 30.8214 176.4144 71 K 3.5724 7.5450 117.5844 56.0152 30.0722 173.4441 72 P 3.8369 0.0000 0.0000 62.7336 32.0715 176.7897 73 K 4.1341 8.1621 123.8481 59.3100 32.7504 177.2838 74 R 4.6724 7.9748 117.3862 54.3055 34.7191 173.7226 75 L 5.2504 8.4484 124.7660 53.4098 44.4349 175.2381 76 F 5.0531 9.7163 125.0398 55.7119 42.1878 174.4341 77 A 5.0580 8.9783 124.1784 50.0744 21.4925 175.3216 78 L 4.7169 8.5071 124.3225 54.4807 42.3672 176.6874 79 T 4.7869 8.9094 118.8128 60.5681 70.7771 174.7334 80 T 3.9847 8.8383 118.0266 63.6999 68.8730 174.8477 81 K 4.2428 8.2290 121.3208 56.8758 32.5164 177.4273 82 G 3.8845 7.8683 108.2373 45.2150 0.0000 173.5118 83 C 4.3941 8.5016 118.1483 60.9266 29.2938 173.1088 84 P 4.4866 0.0000 0.0000 62.3414 31.8822 175.6897 85 A 5.3936 9.2688 123.3607 51.0555 19.0704 178.4030 86 H 4.2004 9.0571 115.5367 58.5023 28.4799 177.1064 87 S 4.5474 7.5058 110.8865 57.9083 63.3738 174.3078 88 Q 4.2731 7.9666 119.6650 56.3410 29.0266 175.8643 89 V 4.0971 6.7206 111.1576 59.4773 33.5096 176.0308 90 K 4.3985 7.8641 121.5969 54.4711 31.9192 176.6108 91 F 4.5786 8.4977 123.0990 57.5206 39.7085 175.4840 92 K 4.7906 9.6669 121.8039 54.3701 36.2246 176.1695 93 L 4.1471 8.4244 120.9772 56.8361 41.7207 178.0658 94 G 4.1265 8.9805 110.1200 45.1430 0.0000 173.0139 95 D 5.2956 8.1512 120.2413 54.5173 42.5468 174.9011 96 Y 4.9125 9.4223 119.6933 56.2755 41.3164 174.5781 97 L 5.1185 9.1906 124.5619 53.4166 44.0874 174.9841 98 M 5.2535 9.1485 124.9282 53.8533 34.7106 174.6493 99 F 5.0485 9.4478 123.5746 55.7346 43.2735 175.0361 100 G 4.6104 8.6282 109.0529 43.8858 0.0000 171.4990 101 P 4.6861 0.0000 0.0000 62.2149 31.8208 177.3842 102 E 4.0166 8.8713 118.0683 59.0377 29.5378 177.7418 103 T 4.4863 7.7240 107.5305 61.6057 69.5045 175.1854 104 R 4.4724 7.8863 114.4700 55.3223 33.4099 175.6554 105 G 4.0055 8.2280 107.9779 44.2926 0.0000 173.3967 106 I 3.4495 8.0080 119.6664 60.2805 37.5740 174.8349 107 P 4.1803 0.0000 0.0000 63.2253 31.8879 177.2733 108 M 3.9727 8.7224 122.0903 58.4749 31.5591 179.1150 109 S 4.2553 7.9144 113.3053 61.1690 63.3654 176.2934 110 I 3.8090 7.6174 123.3434 64.0397 37.0995 178.0820 111 L 3.9295 7.7117 119.2099 57.9387 41.1975 179.2182 112 N 4.3405 8.5235 115.8962 55.5272 38.5969 175.4821 113 E 4.5182 8.1083 114.2021 55.9768 29.9524 175.3564 114 M 4.6586 7.5321 119.0124 52.8223 34.4039 174.2285 115 P 4.4336 0.0000 0.0000 62.6806 32.4103 177.1983 116 M 3.9857 8.7434 119.9913 58.8741 31.9726 178.4174 117 E 4.1844 8.1358 115.6126 58.2606 29.9056 177.0704 118 Q 4.5202 8.2501 117.4976 55.3228 30.1066 174.9945 119 K 5.0345 8.1025 120.7578 54.8410 33.9234 175.1361 120 I 4.9715 8.7334 119.4246 58.8700 40.8362 174.8311 121 R 5.0528 8.8932 120.1433 54.5694 32.7597 174.3341 122 I 4.6809 8.1962 121.4411 59.3060 38.3088 174.1765 123 P 4.3929 0.0000 0.0000 63.4079 31.8290 175.4594 124 M 4.8517 8.0830 119.8368 53.7993 36.0557 174.8545 125 T 4.2034 8.2256 110.9460 60.4443 70.0944 174.1073 126 A 3.9093 8.4634 124.4091 54.1622 19.0082 177.3614 127 N 4.1248 8.6398 118.4261 54.4923 35.5117 174.5569 128 S 4.3215 7.2476 113.6624 58.7980 64.6377 175.9436 129 R 4.4723 7.3558 123.1313 54.5307 29.4448 176.5845 130 S 4.0736 7.8475 112.0494 58.4484 63.2547 173.5888 131 M 4.1714 8.5180 127.2360 55.3520 32.8366 175.6288 132 N 4.5051 8.5046 122.0270 53.0509 40.9977 175.4982 133 L 3.9530 8.5745 129.3506 58.5042 42.2539 179.5333 134 S 4.0131 8.0572 113.5281 61.5344 62.9042 175.9391 135 N 4.2944 8.6874 120.2568 56.1179 38.2374 177.5040 136 S 4.1491 8.2998 116.7503 61.5862 62.8368 177.0087 137 V 2.9405 7.7363 120.7045 65.5064 31.1030 177.8815 138 A 3.9708 7.9859 120.6226 55.2801 18.3628 179.7641 139 V 3.6026 8.0007 116.8201 66.3975 31.4787 178.4657 140 T 3.9270 7.9916 115.4461 66.6190 68.3304 176.7989 141 V 3.0371 7.8848 120.4280 66.2873 31.4471 177.7789 142 Y 4.0687 8.2150 116.2454 60.6108 37.1792 178.1042 143 E 4.0351 8.3200 120.2873 59.1425 29.8378 178.5587 144 A 3.9934 8.0900 121.1122 54.9879 18.3865 179.4191 145 W 4.4993 8.5949 127.2904 60.5440 30.7738 178.0962 146 R 2.5100 8.0676 118.6654 59.2212 29.3184 178.5778 147 Q 4.0555 7.9594 116.2536 58.4666 28.6980 177.8077 148 L 4.5596 7.6308 117.8031 54.1219 41.7932 177.2644 149 G 3.7160 7.6468 106.3606 45.6323 0.0000 173.5291 150 Y 2.0000 7.6545 115.4154 57.5044 35.9164 170.7844 151 K 4.2592 8.2182 117.9290 58.3255 32.6292 177.7093 152 G 4.1464 9.1492 111.8955 45.2139 0.0000 173.6844 153 A 4.4820 7.7431 122.2426 52.2075 18.9780 177.2493 154 V 4.5755 7.9093 112.5640 59.3878 35.6746 175.5776 155 N 4.5661 8.5360 120.1737 53.0837 39.2850 175.4143 156 L 4.2077 8.3409 120.1792 55.1544 41.8434 176.9184 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 1.73 1.75 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 2.44 2.56 0.00 2 L 5.62 4.41 0.00 1.45 1.61 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 3 D 8.77 5.31 0.00 1.58 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 0.00 0.00 0.00 4 I 9.08 5.06 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.96 0.00 0.00 5 V 9.34 4.89 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 0.62 0.00 0.00 1.06 0.00 0.00 6 L 8.90 4.98 0.00 1.67 1.65 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.08 4.42 0.00 2.92 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 8 E 8.26 3.96 0.00 1.92 1.76 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 1.79 1.47 0.00 9 P 0.00 4.59 0.00 2.46 2.29 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 10 E 9.97 4.27 0.00 2.07 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 0.00 2.26 2.44 0.00 11 I 7.86 4.55 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.92 0.00 0.00 12 P 0.00 3.05 0.00 2.10 1.64 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 13 Q 7.90 3.86 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 14 N 7.85 4.31 0.00 2.89 2.84 0.00 0.00 7.06 6.90 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 15 T 7.86 4.01 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 1.43 0.00 0.00 16 G 8.26 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 17 N 8.20 4.35 0.00 2.85 2.82 0.00 0.00 7.07 6.74 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 18 I 7.82 3.64 1.95 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.54 0.79 0.00 0.00 19 I 8.01 3.65 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.39 0.00 0.00 20 R 7.68 4.15 0.00 1.86 2.03 0.00 3.16 0.00 0.00 3.31 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 21 L 8.01 3.88 0.00 1.79 1.79 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.41 4.00 0.00 2.89 3.16 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 23 A 7.90 4.00 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 24 N 8.27 4.54 0.00 2.91 2.97 0.00 0.00 6.83 7.14 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 25 T 7.22 3.52 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 0.53 0.00 0.00 26 G 7.90 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 0.00 0.00 0.00 27 F 7.44 4.31 0.00 2.65 2.86 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 28 R 8.54 4.70 0.00 1.86 1.79 0.00 3.07 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 29 L 8.39 5.18 0.00 1.75 1.50 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.59 5.46 0.00 3.27 3.32 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.16 5.09 0.00 1.30 1.40 0.64 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.59 4.79 1.73 0.00 0.00 0.80 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 0.60 0.86 0.00 0.00 33 E 9.34 4.50 0.00 2.00 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 0.00 2.16 2.33 0.00 34 P 0.00 4.44 0.00 2.12 2.09 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 35 L 7.92 4.23 0.00 1.16 0.65 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.17 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 0.00 0.00 0.00 37 F 6.23 5.04 0.00 3.23 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 38 T 8.47 4.25 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 1.28 0.00 0.00 39 W 8.94 4.97 0.00 3.27 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 40 D 8.11 4.59 0.00 2.67 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 41 D 8.03 4.65 0.00 3.12 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 42 K 8.78 3.97 0.00 1.89 1.83 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 43 R 8.74 4.06 0.00 1.72 1.88 0.00 3.07 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 44 L 7.49 4.70 0.00 1.60 1.77 1.03 0.57 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 45 R 8.26 4.29 0.00 1.79 1.95 0.00 3.05 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 46 R 7.81 4.03 0.00 1.77 1.97 0.00 3.38 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 47 S 8.00 4.06 0.00 3.92 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 48 G 7.52 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 49 L 7.34 4.28 0.00 1.91 1.69 0.77 0.80 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 50 D 9.01 4.61 0.00 2.75 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 51 Y 8.14 4.46 0.00 3.20 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 52 H 8.48 4.48 0.00 3.17 3.43 0.00 5.72 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.73 4.15 0.00 2.01 1.76 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 2.28 2.27 0.00 54 F 8.09 4.99 0.00 3.32 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 9.15 3.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.33 4.45 0.00 1.97 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 2.27 2.28 0.00 57 I 7.62 4.56 2.15 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.85 0.92 0.00 0.00 58 K 8.80 4.57 0.00 1.62 1.60 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.37 7.81 59 R 8.37 4.89 0.00 1.43 1.59 0.00 2.63 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.02 0.00 60 H 9.15 4.92 0.00 3.06 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.20 4.42 0.00 1.75 1.87 0.00 1.78 0.00 0.00 2.61 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.39 7.81 62 T 7.47 4.76 4.33 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 1.24 0.00 0.00 63 F 8.90 4.38 0.00 3.35 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 64 E 8.40 3.83 0.00 2.06 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 2.49 2.36 0.00 65 A 8.17 3.95 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 66 F 8.08 3.84 0.00 2.91 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 67 L 7.52 3.20 0.00 1.54 1.37 0.73 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.89 3.83 0.00 1.84 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 2.25 2.32 0.00 69 S 7.93 4.30 0.00 4.01 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 70 E 7.85 4.04 0.00 1.16 1.49 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 2.14 2.39 0.00 71 K 7.55 3.57 0.00 1.67 1.65 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.39 7.81 72 P 0.00 3.84 0.00 1.92 0.81 0.00 3.16 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.34 0.00 73 K 8.16 4.13 0.00 1.66 2.08 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.44 7.81 74 R 7.97 4.67 0.00 2.09 1.56 0.00 3.04 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 75 L 8.45 5.25 0.00 1.64 1.53 1.23 0.99 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 76 F 9.72 5.05 0.00 3.12 3.04 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 77 A 8.98 5.06 1.16 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 78 L 8.51 4.72 0.00 1.01 1.49 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.91 4.79 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 1.29 0.00 0.00 80 T 8.84 3.98 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 81 K 8.23 4.24 0.00 1.74 1.88 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.37 7.81 82 G 7.87 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 83 C 8.50 4.39 0.00 2.98 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 84 P 0.00 4.49 0.00 2.22 2.18 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 85 A 9.27 5.39 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 86 H 9.06 4.20 0.00 3.49 3.68 0.00 5.45 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 87 S 7.51 4.55 0.00 3.98 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 88 Q 7.97 4.27 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 89 V 6.72 4.10 1.70 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 0.64 0.00 0.00 -0.12 0.00 0.00 90 K 7.86 4.40 0.00 1.67 1.73 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.35 7.81 91 F 8.50 4.58 0.00 3.06 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 92 K 9.67 4.79 0.00 1.82 1.70 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 93 L 8.42 4.15 0.00 1.66 1.64 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.98 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 0.00 0.00 0.00 0.00 95 D 8.15 5.30 0.00 2.96 3.04 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 96 Y 9.42 4.91 0.00 3.06 3.11 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 97 L 9.19 5.12 0.00 1.79 1.63 1.06 0.74 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 98 M 9.15 5.25 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 99 F 9.45 5.05 0.00 3.06 2.95 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 0.00 100 G 8.63 4.61 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 0.00 101 P 0.00 4.69 0.00 2.38 2.45 0.00 3.64 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 102 E 8.87 4.02 0.00 2.14 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 2.58 2.30 0.00 103 T 7.72 4.49 4.27 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 1.26 0.00 0.00 104 R 7.89 4.47 0.00 1.91 2.04 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 105 G 8.23 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 0.00 106 I 8.01 3.45 1.71 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.48 0.00 0.00 107 P 0.00 4.18 0.00 1.92 1.89 0.00 2.77 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 108 M 8.72 3.97 0.00 1.98 2.09 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 2.66 2.51 0.00 109 S 7.91 4.26 0.00 3.98 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 0.00 110 I 7.62 3.81 1.55 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.49 0.45 0.00 0.00 111 L 7.71 3.93 0.00 1.61 1.67 0.91 0.61 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 0.00 112 N 8.52 4.34 0.00 2.73 2.87 0.00 0.00 6.96 7.69 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 0.00 113 E 8.11 4.52 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.27 0.00 114 M 7.53 4.66 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.44 0.00 115 P 0.00 4.43 0.00 2.16 2.13 0.00 3.64 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 1.96 1.90 0.00 116 M 8.74 3.99 0.00 2.06 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 2.69 2.51 0.00 117 E 8.14 4.18 0.00 1.94 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 2.32 2.33 0.00 118 Q 8.25 4.52 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 1.16 1.97 0.00 119 K 8.10 5.03 0.00 1.65 1.73 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.33 7.81 120 I 8.73 4.97 1.95 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 1.49 0.78 1.04 0.00 0.00 121 R 8.89 5.05 0.00 1.88 2.26 0.00 2.78 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 122 I 8.20 4.68 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 0.87 0.00 0.00 123 P 0.00 4.39 0.00 2.08 2.03 0.00 3.74 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 124 M 8.08 4.85 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.53 0.00 125 T 8.23 4.20 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 0.00 126 A 8.46 3.91 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 0.00 127 N 8.64 4.12 0.00 2.84 2.85 0.00 0.00 7.04 7.57 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 0.00 128 S 7.25 4.32 0.00 3.87 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 0.00 129 R 7.36 4.47 0.00 1.78 1.88 0.00 3.40 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 130 S 7.85 4.07 0.00 3.84 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 0.00 131 M 8.52 4.17 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 132 N 8.50 4.51 0.00 2.80 2.66 0.00 0.00 6.64 6.66 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 0.00 133 L 8.57 3.95 0.00 1.82 1.66 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.06 4.01 0.00 4.01 4.05 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 0.00 0.00 0.00 0.00 135 N 8.69 4.29 0.00 2.90 2.90 0.00 0.00 7.03 7.62 0.00 0.00 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 S 8.30 4.15 0.00 4.08 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 0.00 137 V 7.74 2.94 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 0.66 0.00 0.00 -0.14 0.00 0.00 138 A 7.99 3.97 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 0.00 139 V 8.00 3.60 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 1.00 0.00 0.00 140 T 7.99 3.93 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 141 V 7.88 3.04 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 -0.51 0.00 0.00 0.57 0.00 0.00 142 Y 8.22 4.07 0.00 3.30 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 0.00 143 E 8.32 4.04 0.00 2.33 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 2.42 2.60 0.00 144 A 8.09 3.99 0.95 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 0.00 145 W 8.59 4.50 0.00 3.43 3.22 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 0.00 146 R 8.07 2.51 0.00 1.99 2.05 0.00 3.19 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 147 Q 7.96 4.06 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.44 2.79 0.00 148 L 7.63 4.56 0.00 1.78 1.76 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.65 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 0.00 0.00 0.00 150 Y 7.65 2.00 0.00 2.78 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 0.00 0.00 0.00 151 K 8.22 4.26 0.00 1.94 1.88 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.46 7.81 152 G 9.15 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 7.74 4.48 1.08 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 0.00 0.00 154 V 7.91 4.58 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 0.89 0.00 0.00 0.97 0.00 0.00 155 N 8.54 4.57 0.00 2.70 2.73 0.00 0.00 7.00 7.85 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 0.00 156 L 8.34 4.21 0.00 1.61 1.57 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00