NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9861 8.0549 120.3094 61.1060 32.4886 175.1222 2 D 4.2816 8.5271 124.9152 52.5662 41.4405 170.8775 3 V 4.1917 7.6806 120.2232 58.6806 34.2030 173.2821 4 P 4.0492 0.0000 0.0000 62.9340 30.3372 175.3084 5 A 3.4460 8.0087 124.0247 55.2698 18.3969 178.5933 6 D 4.3418 8.0997 116.4590 53.6289 45.3710 176.2047 7 G 3.7116 8.4472 106.6175 46.0614 0.0000 173.7017 8 A 4.4035 7.9435 122.5052 50.3576 19.4663 177.7886 9 K 4.4308 8.5768 121.8497 57.0965 32.9551 177.4557 10 I 4.0165 8.9740 128.5837 59.7426 38.2305 175.9043 11 D 5.2576 7.5131 128.0359 53.4930 41.6002 175.3177 12 F 4.6080 8.2752 116.0015 57.7891 39.6641 175.7792 13 I 4.4972 7.2408 120.1298 59.6766 39.7116 175.9965 14 A 4.3625 8.2370 126.5276 50.5365 17.6675 178.4802 15 G 4.1387 7.3672 111.1467 44.5540 0.0000 172.2459 16 G 3.7824 8.7008 114.4964 46.1268 0.0000 175.2630 17 E 3.4233 9.2937 120.7297 57.3158 30.9708 177.3931 18 K 4.3349 5.6600 115.1320 55.4878 31.2659 176.0668 19 N 4.2236 7.4830 118.9355 52.8514 40.2232 172.8443 20 L 4.8777 8.3228 121.6412 53.3176 43.1709 176.2113 21 T 4.8986 8.4415 119.8258 61.6725 72.1138 173.4085 22 V 4.4179 8.6570 126.0570 61.0893 34.0507 174.3113 23 V 4.6891 8.5048 127.9742 61.9306 32.3956 174.5657 24 F 5.2677 8.8135 129.7788 56.6485 42.5164 173.8084 25 N 4.9685 7.4880 120.3133 51.8104 42.0311 175.0673 26 H 4.1652 8.4277 119.9435 57.3587 29.0320 175.8338 27 S 4.7494 7.1188 111.1519 58.2566 63.0536 175.0414 28 T 4.6424 7.2484 107.1383 62.4633 68.9778 174.1025 29 H 4.7306 7.8711 116.6206 55.8746 30.2949 176.1834 30 K 4.0975 8.3635 121.8460 59.3404 32.9503 177.1114 31 D 4.6490 8.0697 116.6956 53.2815 39.6852 175.7042 32 V 4.2781 7.0199 119.5382 60.6579 33.3973 174.9212 33 K 3.8044 8.7025 125.3006 56.9211 31.5834 176.8821 34 C 4.3149 9.0019 125.3758 61.7557 31.5292 173.9734 35 D 5.1751 7.9421 118.1880 53.2555 39.6204 176.5197 36 D 4.7062 8.6406 121.3583 56.1261 42.5697 176.4343 37 C 4.5226 8.1075 114.7840 60.8723 29.7638 173.9127 38 H 4.7796 7.3381 114.9264 54.8488 26.7111 174.1269 39 H 4.7781 8.1476 120.6527 55.7828 29.4135 176.4085 40 Q 4.4408 7.7632 118.7800 54.8805 30.6488 174.5409 41 P 4.3303 0.0000 0.0000 63.9391 32.0187 176.6623 42 G 3.8411 7.3807 116.2776 45.7491 0.0000 175.0433 43 D 4.3515 8.1954 120.1989 55.6427 40.8703 177.5326 44 K 4.3901 7.6814 116.5471 56.2355 33.8954 177.6292 45 Q 3.8867 7.5106 119.9296 58.9809 28.7556 177.1428 46 Y 4.9039 7.5433 111.9682 57.5443 38.2756 174.5399 47 A 4.6973 8.8490 124.1421 49.8168 20.8001 177.9859 48 G 3.9702 8.6385 111.4702 45.7839 0.0000 173.6050 49 C 4.1612 8.2449 116.7375 62.8360 27.8868 175.9578 50 T 4.2377 6.6490 107.2149 62.3755 69.2394 177.7664 51 T 3.2126 6.8542 121.8629 63.6323 68.6542 171.4633 52 D 4.8331 8.4054 127.9547 54.3939 43.8222 175.9737 53 G 4.1738 8.6912 112.4945 46.7277 0.0000 172.6146 54 C 4.5973 7.1266 124.3982 59.6657 31.2418 177.0368 55 H 5.6710 9.1993 124.3534 55.0287 27.2762 175.0065 56 N 4.2527 7.9261 118.8394 55.0537 38.8248 176.1099 57 I 3.6128 7.5796 120.6220 61.6552 37.1505 176.1723 58 L 4.7599 8.4070 128.3117 54.8915 42.1875 176.1673 59 D 5.0981 7.9921 116.4541 52.6461 44.2887 176.3482 60 K 4.4405 8.4258 119.8534 58.0178 33.5748 178.9950 61 A 4.0272 7.9491 120.5239 54.8164 18.6000 177.5923 62 D 4.5748 7.3069 113.1580 54.0729 41.8727 176.8634 63 K 4.3230 8.3119 126.8391 56.9069 33.8255 176.5720 64 S 4.4765 8.7222 107.9763 58.9066 62.6443 168.5153 65 V 4.2548 8.0011 118.0414 62.8457 32.0076 176.1153 66 N 5.1792 8.0533 114.8371 53.3792 40.7445 174.3707 67 S 5.3651 7.8945 116.6069 56.2085 63.6339 174.2659 68 W 4.5707 9.2810 135.0000 59.7574 30.7868 176.0373 69 Y 4.3074 7.6687 120.7177 56.3865 38.0304 174.0433 70 K 4.3666 7.7935 123.1033 58.2542 36.5752 177.8120 71 V 3.7944 7.5489 108.7073 62.4118 31.7431 177.1070 72 V 3.5381 7.2851 120.0944 64.4267 31.9658 176.6504 73 H 4.6165 7.3377 113.2227 55.4892 29.5383 175.4466 74 D 4.5250 7.5631 119.9343 53.1398 39.0969 176.8523 75 A 4.0936 7.7666 123.9143 55.4125 19.1337 179.4329 76 K 3.9164 8.0159 115.9449 58.5590 32.4969 177.9936 77 G 4.1816 8.7387 103.3903 45.8977 0.0000 173.3892 78 G 4.1185 7.7895 108.7936 44.2042 0.0000 174.7511 79 A 3.8888 8.8380 122.9957 54.4355 18.9940 177.7233 80 K 4.6273 7.5693 115.4218 53.4120 35.4441 173.9161 81 P 4.6360 0.0000 0.0000 63.3383 33.3048 176.9645 82 T 4.1946 9.3283 110.4068 62.0376 68.3578 174.6306 83 C 4.5077 8.9765 115.1921 61.1978 31.6307 176.1118 84 I 3.8536 7.1682 120.5183 63.6843 36.7419 177.4379 85 S 4.1047 7.1601 113.9485 60.3478 61.9652 175.9666 86 C 3.6993 8.0514 123.7656 62.2972 32.1537 175.1738 87 H 4.1742 7.8898 115.9804 59.2720 28.7226 177.4838 88 K 3.4788 9.2457 121.6888 59.3219 31.6997 177.1790 89 D 4.9046 8.2730 115.9786 53.6736 42.5326 176.6871 90 K 4.5237 8.5461 117.4971 53.2222 32.3212 174.1239 91 A 4.1943 7.7645 131.9365 51.9197 23.3616 177.8017 92 G 3.9525 7.8360 101.1551 44.4512 0.0000 173.8152 93 D 4.7733 8.5191 124.0969 53.6595 40.0004 177.2266 94 D 4.6993 7.6896 122.2846 52.8788 39.6993 176.8156 95 K 4.0265 8.3294 124.0068 59.3191 30.6658 177.4301 96 E 4.2320 8.2367 119.0780 59.1760 29.3751 177.8350 97 L 3.9222 7.9806 116.7689 55.3739 42.7558 177.0895 98 K 4.2516 7.6479 118.6068 58.9683 32.4911 178.3413 99 K 4.1227 9.0047 120.1534 58.2987 32.7083 176.9172 100 K 4.5660 7.6184 122.3531 53.8828 30.5724 175.7388 101 L 5.8735 7.2731 135.0000 55.6928 41.1571 174.6905 102 T 4.4621 7.5955 105.4876 63.0489 71.8247 174.3253 103 G 4.1059 7.3561 108.9115 44.6372 0.0000 171.5807 104 C 4.2385 7.8224 116.1337 60.8354 29.2149 174.4727 105 K 4.1469 7.6139 133.2057 59.6364 31.0430 176.9914 106 G 4.2789 8.0819 118.9113 46.0600 0.0000 171.8109 107 S 4.7104 8.1027 111.7426 55.8161 66.0687 172.8964 108 A 4.6628 8.2931 125.3853 51.6414 18.1436 177.1733 109 C 4.8756 7.6845 117.8301 61.6343 36.2257 175.7280 110 H 4.9617 7.5900 118.6178 53.0811 28.6614 169.9296 111 P 4.5964 0.0000 0.0000 62.9454 32.7560 177.4517 112 S 4.0306 8.7583 114.8684 58.9537 64.4227 171.7866 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 V 8.05 3.99 1.95 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 0.77 0.00 0.00 0.59 0.00 0.00 2 D 8.53 4.28 0.00 2.68 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 3 V 7.68 4.19 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 0.69 0.00 0.00 0.77 0.00 0.00 4 P 0.00 4.05 0.00 2.25 2.16 0.00 3.58 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 1.66 1.97 0.00 5 A 8.01 3.45 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 6 D 8.10 4.34 0.00 2.60 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 7 G 8.45 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.94 4.40 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 9 K 8.58 4.43 0.00 1.62 1.78 0.00 1.66 0.00 0.00 1.85 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.55 7.81 10 I 8.97 4.02 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.34 1.37 0.00 0.00 11 D 7.51 5.26 0.00 2.70 2.41 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 12 F 8.28 4.61 0.00 3.13 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 13 I 7.24 4.50 1.99 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.96 0.00 0.00 14 A 8.24 4.36 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 15 G 7.37 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 16 G 8.70 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 17 E 9.29 3.42 0.00 2.01 1.73 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 2.22 2.31 0.00 18 K 5.66 4.33 0.00 1.76 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.38 7.81 19 N 7.48 4.22 0.00 2.72 2.74 0.00 0.00 7.54 6.67 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 20 L 8.32 4.88 0.00 1.69 1.63 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.44 4.90 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 1.22 0.00 0.00 22 V 8.66 4.42 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 0.93 0.00 0.00 1.02 0.00 0.00 23 V 8.50 4.69 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 0.85 0.00 0.00 0.97 0.00 0.00 24 F 8.81 5.27 0.00 3.07 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 25 N 7.49 4.97 0.00 2.52 2.75 0.00 0.00 6.99 8.14 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 26 H 8.43 4.17 0.00 3.18 3.32 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.12 4.75 0.00 3.95 3.90 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 0.00 0.00 0.00 28 T 7.25 4.64 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 1.15 0.00 0.00 29 H 7.87 4.73 0.00 3.28 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.36 4.10 0.00 1.89 1.95 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 31 D 8.07 4.65 0.00 2.82 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 32 V 7.02 4.28 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 0.82 0.00 0.00 1.01 0.00 0.00 33 K 8.70 3.80 0.00 1.93 1.95 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.56 7.81 34 C 9.00 4.31 0.00 3.02 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 35 D 7.94 5.18 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.64 4.71 0.00 2.62 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 37 C 8.11 4.52 0.00 2.88 2.83 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 38 H 7.34 4.78 0.00 3.40 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 H 8.15 4.78 0.00 3.23 3.41 0.00 5.71 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.76 4.44 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 41 P 0.00 4.33 0.00 2.13 2.13 0.00 3.76 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 1.92 1.92 0.00 42 G 7.38 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 43 D 8.20 4.35 0.00 2.62 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 44 K 7.68 4.39 0.00 1.73 1.76 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.34 7.81 45 Q 7.51 3.89 0.00 1.75 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.28 0.00 0.00 0.00 0.00 0.00 2.22 2.30 0.00 46 Y 7.54 4.90 0.00 3.00 2.83 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 47 A 8.85 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.64 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 C 8.24 4.16 0.00 2.34 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 50 T 6.65 4.24 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 -0.02 0.00 0.00 51 T 6.85 3.21 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 52 D 8.41 4.83 0.00 2.55 2.48 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 53 G 8.69 4.17 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 0.00 0.00 0.00 54 C 7.13 4.60 0.00 3.26 1.95 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 55 H 9.20 5.67 0.00 3.37 3.56 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.93 4.25 0.00 2.80 3.07 0.00 0.00 6.30 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.58 3.61 2.03 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 1.44 0.76 0.98 0.00 0.00 58 L 8.41 4.76 0.00 1.67 1.75 1.04 1.18 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 59 D 7.99 5.10 0.00 2.65 2.60 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 60 K 8.43 4.44 0.00 1.79 1.92 0.00 1.39 0.00 0.00 0.90 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.15 1.25 7.81 61 A 7.95 4.03 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 62 D 7.31 4.57 0.00 2.77 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 63 K 8.31 4.32 0.00 1.72 1.71 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.43 7.81 64 S 8.72 4.48 0.00 4.26 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 65 V 8.00 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 0.86 0.00 0.00 0.97 0.00 0.00 66 N 8.05 5.18 0.00 2.77 2.98 0.00 0.00 7.03 6.94 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 67 S 7.89 5.37 0.00 3.84 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 68 W 9.28 4.57 0.00 3.50 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.67 4.31 0.00 2.97 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 70 K 7.79 4.37 0.00 1.84 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.38 7.81 71 V 7.55 3.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.66 0.00 0.00 72 V 7.29 3.54 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 0.33 0.00 0.00 -0.28 0.00 0.00 73 H 7.34 4.62 0.00 2.59 2.99 0.00 5.95 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 74 D 7.56 4.53 0.00 2.75 2.48 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 75 A 7.77 4.09 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 76 K 8.02 3.92 0.00 1.70 1.94 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 77 G 8.74 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 7.79 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.84 3.89 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 80 K 7.57 4.63 0.00 1.79 1.55 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.33 7.81 81 P 0.00 4.64 0.00 2.20 2.04 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.99 0.00 82 T 9.33 4.19 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 1.07 0.00 0.00 83 C 8.98 4.51 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.17 3.85 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.87 0.00 0.00 85 S 7.16 4.10 0.00 4.06 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 86 C 8.05 3.70 0.00 3.00 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 87 H 7.89 4.17 0.00 3.50 3.42 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.25 3.48 0.00 1.76 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 89 D 8.27 4.90 0.00 2.79 2.73 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 90 K 8.55 4.52 0.00 1.70 1.65 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.54 7.81 91 A 7.76 4.19 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 92 G 7.84 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 93 D 8.52 4.77 0.00 2.79 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 94 D 7.69 4.70 0.00 2.80 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 95 K 8.33 4.03 0.00 1.79 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.55 7.81 96 E 8.24 4.23 0.00 2.07 1.95 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 2.38 2.44 0.00 97 L 7.98 3.92 0.00 1.63 1.64 0.91 0.60 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 98 K 7.65 4.25 0.00 1.98 1.77 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.46 7.81 99 K 9.00 4.12 0.00 1.78 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 100 K 7.62 4.57 0.00 1.80 1.74 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.41 7.81 101 L 7.27 5.87 0.00 1.93 1.85 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.60 4.46 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 103 G 7.36 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 0.00 0.00 0.00 104 C 7.82 4.24 0.00 3.00 2.92 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 0.00 105 K 7.61 4.15 0.00 1.73 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 106 G 8.08 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 0.00 107 S 8.10 4.71 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.29 4.66 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 C 7.68 4.88 0.00 2.81 2.66 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 0.00 110 H 7.59 4.96 0.00 3.49 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.60 0.00 2.20 2.07 0.00 3.97 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 2.00 1.98 0.00 112 S 8.76 4.03 0.00 4.09 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