NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 5.2661 8.3448 119.7717 56.4190 29.9279 172.2256 9 M 4.3939 7.9884 118.2946 54.0664 33.1126 174.3208 10 G 4.0418 8.7147 109.3653 45.7290 0.0000 173.5105 11 E 4.4546 7.7614 117.8795 53.9128 32.3421 175.2341 12 F 5.1378 8.3359 119.3000 55.4115 42.9286 175.1867 13 S 4.3576 8.8393 119.7612 59.0016 63.4581 174.6157 14 V 4.2368 8.2508 119.3162 63.5902 33.2730 175.6808 15 C 5.2531 7.9524 116.5963 55.1218 42.1589 173.8163 16 D 4.9250 9.0115 123.8919 53.6640 41.9779 175.5809 17 S 5.1208 8.3943 114.5999 56.8256 66.7185 173.3018 18 V 4.3628 8.7440 121.1608 61.4273 34.0713 174.3591 19 S 5.0990 8.5585 123.7118 57.0269 65.3503 173.7647 20 V 4.3485 7.6300 120.7336 60.3676 34.9819 172.6847 21 W 4.9426 8.7800 122.4377 56.4484 29.6767 176.7927 22 V 4.2552 9.5796 126.2092 61.1734 30.7899 176.1156 23 G 3.2329 8.6006 114.7385 47.7094 0.0000 172.0031 24 D 4.5589 7.7604 120.4397 52.5090 39.7230 174.7176 25 K 4.5613 7.6694 120.9772 54.6475 34.9326 175.2221 26 T 4.7165 8.2773 113.0641 61.2911 70.8812 173.3048 27 T 5.1606 7.6791 117.0091 62.4559 72.9466 172.8203 28 A 4.4394 8.9172 124.6400 51.8787 23.6354 174.5305 29 T 4.7265 8.1402 113.2323 61.6099 71.7531 173.5539 30 D 4.5396 9.0977 126.5784 54.9457 41.7757 177.1351 31 I 4.1079 9.2449 126.3301 64.5511 37.8175 177.2807 32 K 3.8939 8.5368 119.7874 58.3249 31.9488 177.4021 33 G 4.0192 8.2371 105.4500 45.0406 0.0000 173.5696 34 K 4.2357 8.1368 122.0611 54.6229 31.9254 174.9321 35 E 4.1609 8.2642 126.9262 56.0755 30.3945 176.1240 36 V 4.5139 8.4870 123.5527 61.5061 35.5008 171.6386 37 T 4.9628 8.0206 110.5953 60.0305 71.8275 173.6496 38 V 4.7107 8.0189 123.0173 61.5384 34.1756 174.4272 39 L 4.7595 8.3582 120.8441 52.8186 44.3219 175.2774 40 A 4.5353 8.2508 119.9149 52.9571 20.3549 177.4503 41 E 3.9505 9.3674 117.1663 58.5068 30.9346 178.7493 42 V 3.3326 7.7563 114.8104 64.0926 30.0208 174.2387 43 N 5.1046 7.6552 113.0253 52.6213 37.7687 177.3907 44 I 4.0487 7.6718 119.9117 64.2382 37.3329 175.7089 45 N 4.5363 8.8804 122.8238 53.0814 35.7664 176.2063 46 N 4.3713 8.1806 113.1395 53.5488 36.5891 174.5222 47 S 4.5307 7.1015 112.9785 57.1842 65.2689 174.2169 48 V 4.5556 7.7558 109.9907 60.3486 34.8257 178.2296 49 F 3.5988 8.8245 116.5767 57.0784 38.7183 179.6424 50 R 4.2554 9.7592 121.7269 57.3698 28.8323 174.6651 51 Q 4.7111 8.3524 118.9557 54.4992 30.9505 174.7428 52 Y 5.1639 8.7755 120.5131 57.0080 40.1419 175.0163 53 F 5.0616 9.3414 118.3972 56.0733 44.2568 173.8214 54 F 4.2538 8.7124 123.3827 56.5127 39.9763 174.1999 55 E 5.0181 8.1384 126.0182 54.7141 31.4341 175.7319 56 T 4.9081 8.0012 118.5332 62.0383 72.6070 173.1539 57 K 4.6709 8.5691 123.7332 55.0285 37.4048 174.0698 58 C 4.8431 8.6095 118.1284 56.6346 40.4626 173.9880 59 R 4.0714 8.4216 125.1080 59.0583 29.9182 175.8515 60 A 4.3950 7.4103 116.8366 51.6505 22.0487 176.4796 61 S 4.4476 8.5427 115.0422 61.6684 62.9467 174.8589 62 N 5.4208 7.6825 121.1004 50.3219 37.9824 172.7820 63 P 4.3791 0.0000 0.0000 64.1862 32.0566 176.8284 64 V 4.5605 7.7994 118.3180 60.6625 34.8435 175.7822 65 E 4.0591 8.7843 122.1880 59.2124 29.3470 178.8364 66 S 4.3979 7.9226 111.7847 58.8294 65.0317 173.0585 67 G 4.2961 7.2090 106.5898 45.2034 0.0000 176.3499 68 C 4.6409 8.8239 122.6671 56.0751 40.4055 173.4960 69 R 4.0495 8.5728 123.0415 58.0579 28.5390 176.1504 70 G 3.8236 8.7917 114.9053 45.8212 0.0000 172.2361 71 I 4.0105 7.4515 112.9048 59.6313 39.0007 175.7998 72 D 4.6838 8.2752 120.4717 52.7434 39.3541 176.3778 73 S 4.4935 8.4004 119.3268 60.0108 63.2873 176.2853 74 K 4.0881 8.2212 122.0307 58.6174 32.2884 176.7522 75 H 4.8183 8.4591 114.1372 54.8760 31.7501 173.8470 76 W 5.3056 8.2542 116.7286 54.8420 32.2986 174.9135 77 N 5.1629 9.4326 121.6911 52.5691 39.8332 174.2792 78 S 5.4367 8.6619 114.5705 57.0294 67.1859 172.1860 79 Y 4.9618 8.2484 116.3780 56.4253 40.8080 173.9656 80 C 4.6309 8.8677 121.2807 56.7917 41.8262 172.9386 81 T 4.7329 8.3362 118.3883 62.2058 73.0020 172.4910 82 T 5.0283 8.3685 118.4743 62.4942 70.7215 174.5096 83 T 4.4670 9.0628 122.0364 62.2383 71.0569 173.8555 84 H 5.2509 8.3590 122.6044 55.1135 31.5704 173.2401 85 T 4.6303 8.1040 112.9940 61.3817 71.4449 171.8194 86 F 5.4250 8.9269 121.6303 55.6180 42.1283 175.2318 87 V 4.6021 8.6375 121.3498 60.7649 35.1274 174.2993 88 K 3.6693 8.1611 128.0296 55.9923 32.7559 175.5551 89 A 4.9501 8.8482 127.7787 50.9474 23.6641 174.2831 90 L 4.2599 8.4806 122.4633 54.5653 42.4963 175.9812 91 T 4.8347 8.6347 116.5611 60.1977 72.6741 172.9092 92 T 4.5343 8.6245 115.6696 61.1933 70.1752 172.2500 93 D 4.7839 8.6994 130.8684 52.3402 40.8709 177.5373 94 E 3.8463 8.7908 129.2695 57.1978 27.8596 176.2292 95 K 4.1007 9.0527 125.7930 60.2971 32.3115 177.2208 96 Q 4.1584 7.8712 117.4296 55.0999 29.5246 174.9213 97 A 4.4317 8.3576 123.7060 50.4731 21.0134 174.4867 98 A 4.6690 7.8639 123.7449 50.1793 23.4182 174.3977 99 W 4.8655 8.6139 117.8525 57.1224 29.9345 176.6207 100 R 4.9576 9.1534 122.0135 55.1051 35.3374 173.6214 101 F 5.4077 9.0798 119.1113 56.2440 41.0806 175.0911 102 I 4.9452 8.9512 117.8766 59.2136 40.3308 175.2839 103 R 4.0729 8.3516 126.5449 55.3555 28.7241 174.5923 104 I 4.2216 8.0997 117.1479 59.0556 40.1182 175.6222 105 D 4.8815 8.4707 124.4128 55.4082 41.4555 176.5828 106 T 4.7378 8.6290 112.3680 62.4354 71.6860 172.6763 107 A 4.4568 7.5187 120.9698 51.6194 22.8983 175.2722 108 C 5.3444 8.7561 118.7330 54.9309 43.5927 173.5068 109 V 4.6089 8.4933 125.3975 59.8630 34.4781 174.2762 110 C 4.7400 8.7016 123.1065 56.4441 42.5268 172.7907 111 V 4.3527 7.8506 123.8498 61.1386 33.8459 175.0691 112 L 4.8639 8.6302 128.0010 54.6750 43.2656 176.2016 113 S 4.9334 9.1003 113.4771 57.5996 66.4906 174.5170 114 R 4.2986 8.6281 121.3557 55.7405 31.3231 175.4748 115 K 4.6249 7.9490 119.4084 54.7076 34.0142 176.8456 116 A 4.2430 8.3689 125.9433 51.8114 19.6629 177.5742 117 T 3.7629 8.0906 113.5566 63.0666 67.6384 172.6851 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 8 H 8.34 5.27 0.00 3.11 3.24 0.00 5.46 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.99 4.39 0.00 2.03 1.94 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 2.44 2.50 0.00 10 G 8.71 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 11 E 7.76 4.45 0.00 1.85 1.63 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 2.19 2.14 0.00 12 F 8.34 5.14 0.00 2.97 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 13 S 8.84 4.36 0.00 4.14 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 14 V 8.25 4.24 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 1.02 0.00 0.00 0.93 0.00 0.00 15 C 7.95 5.25 0.00 2.91 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 16 D 9.01 4.93 0.00 2.61 2.58 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 17 S 8.39 5.12 0.00 3.78 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 18 V 8.74 4.36 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 0.92 0.00 0.00 0.91 0.00 0.00 19 S 8.56 5.10 0.00 3.49 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.63 4.35 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 0.50 0.00 0.00 0.94 0.00 0.00 21 W 8.78 4.94 0.00 3.37 3.40 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 22 V 9.58 4.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 23 G 8.60 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.76 4.56 0.00 2.63 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 25 K 7.67 4.56 0.00 1.59 1.48 0.00 1.47 0.00 0.00 0.88 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.05 1.20 7.81 26 T 8.28 4.72 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 1.21 0.00 0.00 27 T 7.68 5.16 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 1.25 0.00 0.00 28 A 8.92 4.44 1.10 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 0.00 0.00 29 T 8.14 4.73 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 1.22 0.00 0.00 30 D 9.10 4.54 0.00 2.99 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.24 4.11 2.23 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.61 1.05 0.00 0.00 32 K 8.54 3.89 0.00 1.99 1.91 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.45 7.81 33 G 8.24 4.02 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 0.00 0.00 0.00 34 K 8.14 4.24 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.43 7.81 35 E 8.26 4.16 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 36 V 8.49 4.51 2.22 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 0.62 0.00 0.00 0.96 0.00 0.00 37 T 8.02 4.96 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 1.19 0.00 0.00 38 V 8.02 4.71 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 0.93 0.00 0.00 0.87 0.00 0.00 39 L 8.36 4.76 0.00 1.57 1.50 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.25 4.54 1.15 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 41 E 9.37 3.95 0.00 1.99 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 0.00 2.33 2.32 0.00 42 V 7.76 3.33 2.26 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 0.71 0.00 0.00 0.94 0.00 0.00 43 N 7.66 5.10 0.00 2.78 2.83 0.00 0.00 7.30 7.45 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 44 I 7.67 4.05 2.11 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 1.46 0.55 1.00 0.00 0.00 45 N 8.88 4.54 0.00 2.79 3.26 0.00 0.00 7.12 6.92 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 46 N 8.18 4.37 0.00 2.86 2.96 0.00 0.00 7.07 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 47 S 7.10 4.53 0.00 3.65 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 48 V 7.76 4.56 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 0.76 0.00 0.00 0.94 0.00 0.00 49 F 8.82 3.60 0.00 3.18 2.22 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 50 R 9.76 4.26 0.00 2.02 2.09 0.00 3.16 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 51 Q 8.35 4.71 0.00 2.29 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 52 Y 8.78 5.16 0.00 2.86 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 53 F 9.34 5.06 0.00 2.92 2.96 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 54 F 8.71 4.25 0.00 1.51 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 5.02 0.00 1.81 1.69 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 2.18 2.05 0.00 56 T 8.00 4.91 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 1.18 0.00 0.00 57 K 8.57 4.67 0.00 1.62 1.63 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.32 7.81 58 C 8.61 4.84 0.00 2.84 3.24 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 59 R 8.42 4.07 0.00 1.97 1.99 0.00 3.30 0.00 0.00 3.39 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 60 A 7.41 4.40 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 61 S 8.54 4.45 0.00 3.96 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 62 N 7.68 5.42 0.00 2.68 3.05 0.00 0.00 6.91 8.02 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 63 P 0.00 4.38 0.00 2.18 2.19 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 64 V 7.80 4.56 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 0.99 0.00 0.00 0.93 0.00 0.00 65 E 8.78 4.06 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 66 S 7.92 4.40 0.00 4.01 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 67 G 7.21 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.82 4.64 0.00 3.01 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 69 R 8.57 4.05 0.00 1.73 1.89 0.00 3.25 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 70 G 8.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.45 4.01 1.78 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 1.40 0.99 0.88 0.00 0.00 72 D 8.28 4.68 0.00 2.84 2.97 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 73 S 8.40 4.49 0.00 4.05 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 74 K 8.22 4.09 0.00 1.70 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.06 1.26 7.81 75 H 8.46 4.82 0.00 2.92 2.74 0.00 5.80 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.25 5.31 0.00 3.21 3.20 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 77 N 9.43 5.16 0.00 2.70 2.79 0.00 0.00 6.35 7.19 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 78 S 8.66 5.44 0.00 3.89 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 79 Y 8.25 4.96 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.87 4.63 0.00 2.86 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 81 T 8.34 4.73 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 1.20 0.00 0.00 82 T 8.37 5.03 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 1.31 0.00 0.00 83 T 9.06 4.47 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 84 H 8.36 5.25 0.00 2.79 2.97 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.10 4.63 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 86 F 8.93 5.43 0.00 3.16 3.34 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 87 V 8.64 4.60 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 1.05 0.00 0.00 1.12 0.00 0.00 88 K 8.16 3.67 0.00 0.98 1.34 0.00 1.81 0.00 0.00 1.39 0.00 0.00 2.58 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.03 7.81 89 A 8.85 4.95 1.52 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 0.00 0.00 90 L 8.48 4.26 0.00 0.65 1.49 -0.26 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.63 4.83 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 92 T 8.62 4.53 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 1.20 0.00 0.00 93 D 8.70 4.78 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 3.85 0.00 2.16 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 0.00 0.00 0.00 2.19 2.31 0.00 95 K 9.05 4.10 0.00 1.73 1.85 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.45 7.81 96 Q 7.87 4.16 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 97 A 8.36 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.86 4.67 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 99 W 8.61 4.87 0.00 3.22 3.13 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 0.00 100 R 9.15 4.96 0.00 1.83 1.92 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 101 F 9.08 5.41 0.00 3.02 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 0.00 102 I 8.95 4.95 1.87 0.00 0.00 1.00 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 0.83 0.97 0.00 0.00 103 R 8.35 4.07 0.00 1.58 1.79 0.00 3.05 0.00 0.00 2.90 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.22 0.00 104 I 8.10 4.22 1.81 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.48 0.80 0.00 0.00 105 D 8.47 4.88 0.00 2.59 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 0.00 106 T 8.63 4.74 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 1.24 0.00 0.00 107 A 7.52 4.46 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 0.00 108 C 8.76 5.34 0.00 2.90 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 0.00 109 V 8.49 4.61 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 0.57 0.00 0.00 0.86 0.00 0.00 110 C 8.70 4.74 0.00 2.94 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.85 4.35 1.55 0.00 0.00 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 0.57 0.00 0.00 112 L 8.63 4.86 0.00 1.63 1.77 -0.16 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.10 4.93 0.00 3.96 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 0.00 114 R 8.63 4.30 0.00 1.52 1.55 0.00 3.04 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 115 K 7.95 4.62 0.00 1.53 1.65 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.39 7.81 116 A 8.37 4.24 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 0.00 117 T 8.09 3.76 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 1.18 0.00 0.00