NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4171 8.3044 120.3283 54.6114 33.4726 174.3676 2 E 3.7528 8.3991 120.8794 55.3102 30.0613 174.6142 3 A 3.9778 8.7998 128.3095 52.8035 19.8731 176.8591 4 L 3.9358 8.5742 124.4794 58.1173 42.3561 178.1165 5 G 4.0672 9.4577 103.5190 44.7744 0.0000 172.2048 6 A 4.6864 7.3080 118.5700 50.9490 22.5191 175.6461 7 D 4.7914 9.1760 120.1083 53.1393 42.6307 176.0152 8 V 4.6059 8.4242 122.9094 61.3743 34.1682 174.8758 9 T 4.4615 7.8424 123.2293 61.7594 69.1891 174.5329 10 Q 3.8967 8.8321 125.7682 56.7439 29.0375 177.4024 11 G 4.1308 8.9637 109.3874 45.9136 0.0000 172.6110 12 L 5.0924 8.1269 119.8773 52.9025 46.5307 175.0785 13 E 5.1059 9.1009 119.6291 54.0230 34.6408 175.0468 14 K 4.0619 8.4380 122.2781 58.2720 32.4045 176.9227 15 G 4.0176 9.8221 115.7929 45.1444 0.0000 174.0150 16 S 4.3058 8.0040 116.2311 58.7317 64.1419 173.1838 17 L 5.1946 8.4060 123.1159 53.1898 43.2187 175.7537 18 I 4.7669 9.0638 117.0374 59.0716 41.9346 174.5278 19 T 4.4082 8.4217 119.3882 63.6959 69.6590 173.9053 20 C 4.7548 8.4007 126.5289 57.1902 31.9459 174.2504 21 A 4.5152 8.3658 135.0000 50.5336 16.3621 174.7298 22 D 5.1889 7.6259 119.1003 53.2838 42.2954 175.1871 23 N 5.0465 8.3829 115.1945 52.9909 37.6220 175.7841 24 T 3.9666 8.3712 111.5112 64.0423 69.5364 175.2635 25 G 3.9551 8.3139 108.3828 45.0650 0.0000 172.6681 26 A 4.7341 7.4705 123.4900 51.1217 20.4343 176.9362 27 R 4.4070 9.2126 122.3467 57.3450 32.3071 176.3071 28 E 5.0959 8.0129 118.5513 54.2180 33.1259 174.4525 29 L 5.2845 9.3351 125.7443 52.7508 45.7931 175.0884 30 K 4.9431 8.6610 123.0426 54.4596 34.6878 175.2161 31 V 4.0101 8.7855 128.3441 63.3009 31.9778 175.8610 32 I 4.3819 8.5393 128.3440 62.8636 38.9125 175.9680 33 S 4.7056 7.7628 115.1624 57.1964 68.0847 173.2082 34 V 4.5662 8.1937 120.8847 61.0096 33.7719 174.4160 35 H 4.2115 9.0051 128.5373 57.8899 30.0100 175.6772 36 G 3.8989 8.5715 113.3956 45.8800 0.0000 172.8309 37 Y 4.3609 7.7223 120.7286 56.9353 39.6534 174.9746 38 S 4.2212 7.0248 119.9050 57.1815 65.5927 173.2710 39 G 4.0982 7.8473 122.7096 45.2174 0.0000 173.7483 40 T 4.5460 8.2304 118.3169 59.6111 70.3154 172.2487 41 K 3.8534 8.5006 124.9824 58.3495 32.2105 176.7814 42 N 4.3817 8.9043 121.1062 53.5510 36.9729 174.0623 43 R 4.2327 8.0438 119.7532 55.1420 30.6970 175.7523 44 L 4.2132 8.4646 126.2509 53.5238 42.4946 174.9561 45 P 4.4581 0.0000 0.0000 63.1448 31.9892 175.2630 46 K 5.0978 7.8080 122.3538 55.0622 35.2665 175.1431 47 A 4.7469 8.9590 122.8128 50.8780 23.3113 175.6662 48 G 4.2269 8.9844 105.3395 45.0999 0.0000 171.6758 49 L 4.1582 8.2492 119.3403 56.8794 41.8966 178.1536 50 G 4.1723 8.8145 112.0627 45.3842 0.0000 173.5279 51 D 4.7292 7.9453 119.7303 54.0533 42.4239 175.2267 52 K 4.9759 8.6729 122.8373 55.0961 34.2099 175.1490 53 I 5.0847 8.7358 119.9245 59.4939 41.6996 174.1201 54 T 4.7851 8.7729 120.5436 62.8194 70.2476 174.2063 55 V 5.0963 9.5915 125.6488 61.1822 35.9897 173.9098 56 S 5.1396 8.6283 118.0755 56.3592 66.3567 173.3902 57 V 4.0739 8.3091 123.0144 62.9230 31.4929 176.5060 58 T 4.1501 8.6113 126.1288 65.5935 69.3912 175.9137 59 K 4.5562 8.8657 119.2902 53.6408 36.3640 177.5158 60 G 3.7355 8.1984 109.7180 45.8451 0.0000 171.9781 61 T 4.1211 7.7218 110.3877 60.6774 69.6784 173.4833 62 P 4.2124 0.0000 0.0000 66.3504 31.4059 178.4697 63 E 4.1014 8.0859 115.0878 59.4124 29.6834 178.8457 64 M 4.1609 7.6609 117.2779 57.0644 32.4689 176.9289 65 R 4.1801 7.5724 116.4469 57.9341 30.7178 177.5232 66 R 4.0096 8.9215 118.9339 56.7197 29.6068 176.9017 67 Q 4.1659 7.8693 117.9404 55.8148 30.0879 175.4695 68 V 4.4460 8.2943 123.0247 61.6756 32.4385 174.6069 69 L 4.9574 9.0927 127.4302 52.9814 46.4607 175.5160 70 E 4.7020 8.5323 118.5928 55.9369 31.7768 175.3068 71 A 4.9802 8.6827 123.0702 51.1820 23.8749 175.0413 72 V 4.5485 8.2039 118.0382 60.9780 34.9405 174.7725 73 V 4.1291 8.4961 128.3576 63.0414 32.0433 176.2359 74 V 4.2620 8.8829 127.2502 63.2365 34.0523 175.1358 75 R 4.1883 7.4705 117.7412 54.8695 34.7054 173.8562 76 Q 4.9989 8.2723 118.1406 55.3409 31.4762 175.6849 77 R 4.3355 9.2367 120.0953 58.2427 30.5401 177.6370 78 K 4.2227 7.8840 118.9792 55.4329 31.3790 175.3264 79 P 4.9102 0.0000 0.0000 63.0029 32.8742 174.9057 80 I 4.9463 8.4267 113.3049 59.3200 41.7724 173.8103 81 R 5.0292 9.0720 123.5408 54.8054 32.4459 175.2075 82 R 4.7269 8.6623 124.9125 54.1170 31.9847 175.6694 83 P 4.1209 0.0000 0.0000 65.8520 31.3860 177.0110 84 D 4.5863 8.0413 114.6570 53.2445 39.7277 176.1265 85 G 4.0861 8.7056 109.5248 45.9035 0.0000 174.7393 86 T 4.0532 7.6567 116.1262 63.9122 69.4943 174.0188 87 R 5.0808 8.4235 123.1932 54.9276 32.7900 175.8991 88 V 4.4896 8.6151 121.1268 61.0263 34.7424 174.4301 89 K 4.8995 8.3524 125.4957 55.3485 35.9361 175.4599 90 F 4.7301 8.7668 120.5825 55.7849 41.4975 176.4875 91 E 4.1544 9.0420 120.1043 58.7892 29.6828 174.9808 92 D 4.7326 7.7314 115.6600 52.8368 42.7188 173.5653 93 N 5.2498 8.6940 114.8811 51.7370 40.9557 174.2019 94 A 5.1569 8.8527 123.8395 50.7223 23.3621 174.5799 95 A 5.0386 9.0072 120.5555 50.2887 23.7772 175.1490 96 V 4.5107 8.2552 118.4660 60.7635 34.5376 175.1237 97 I 4.3963 8.5969 129.3132 61.5551 37.9868 175.5194 98 V 4.8938 8.5627 125.5172 60.2203 34.9531 175.0530 99 D 4.8463 8.2545 121.5243 51.6732 41.7460 176.3052 100 E 3.9917 8.7859 118.5907 59.2088 29.4184 177.6593 101 N 4.7135 9.9428 113.7927 52.6732 39.2221 175.0435 102 E 3.8669 8.5943 117.3773 56.8781 27.5889 173.6477 103 D 4.8356 8.1852 118.5277 51.2133 42.1425 174.2991 104 P 4.6553 0.0000 0.0000 63.0840 31.5469 176.4585 105 R 3.9036 8.5337 123.7411 58.9857 30.2194 176.8902 106 G 3.9578 7.7252 105.4948 45.2917 0.0000 172.3760 107 T 4.5145 9.4569 114.8033 63.5243 70.6716 174.7723 108 E 4.7914 8.0652 119.7128 54.6227 34.0490 174.3673 109 L 4.9904 8.5324 122.5569 53.3785 43.9124 175.8499 110 K 4.4391 8.5225 121.4075 55.7760 34.3002 177.4964 111 G 3.9384 8.9894 111.1760 44.0348 0.0000 170.6553 112 P 4.8568 0.0000 0.0000 62.6807 32.4960 175.6399 113 I 4.6672 8.3810 120.1268 59.2783 41.6951 174.5504 114 A 5.0222 8.0224 125.8678 51.4372 19.4239 178.8256 115 R 3.9104 9.5881 120.7054 59.8000 28.8291 179.0869 116 E 3.9452 8.2948 118.5373 59.1452 29.3977 179.5165 117 V 3.6610 7.6850 117.2768 66.0326 31.8539 177.4299 118 A 4.0369 8.0467 120.5868 55.6702 17.9249 179.4402 119 Q 4.0046 8.1059 116.6228 59.2127 29.1463 178.0866 120 R 4.1163 7.4494 118.5198 57.4678 31.5833 176.4072 121 F 4.8185 8.1185 118.0751 54.3061 39.1514 175.3658 122 G 3.9101 8.4711 111.7412 48.4470 0.0000 172.4370 123 S 4.0426 8.0845 117.3061 60.5470 61.6394 176.6431 124 V 3.5913 7.7735 121.3260 65.5828 31.0908 177.7338 125 A 4.1493 8.1754 120.9178 54.8695 18.3526 180.9781 126 S 4.6520 8.8792 114.6185 57.6864 62.9524 175.5077 127 A 4.5741 9.0409 122.9481 53.3905 23.4522 177.4074 128 A 4.3245 7.1550 116.8021 52.1030 19.4083 177.7159 129 T 4.2605 8.5184 117.8322 65.5260 69.6289 175.3774 130 M 4.8687 7.7925 119.6841 53.4540 35.7830 175.1488 131 I 4.5366 8.3374 122.3524 59.6878 40.3674 175.5096 132 V 3.9939 8.9915 127.3467 62.8679 31.5307 175.6260 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 4.42 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 2 E 8.40 3.75 0.00 1.93 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 2.24 2.33 0.00 3 A 8.80 3.98 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 4 L 8.57 3.94 0.00 1.63 1.72 0.99 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.46 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 0.00 0.00 0.00 6 A 7.31 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.18 4.79 0.00 2.58 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 8 V 8.42 4.61 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 0.84 0.00 0.00 0.97 0.00 0.00 9 T 7.84 4.46 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 1.22 0.00 0.00 10 Q 8.83 3.90 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.04 0.00 0.00 0.00 0.00 0.00 2.28 2.49 0.00 11 G 8.96 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 12 L 8.13 5.09 0.00 1.66 1.47 0.88 0.89 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 13 E 9.10 5.11 0.00 1.79 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 2.18 2.20 0.00 14 K 8.44 4.06 0.00 1.71 1.71 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.57 7.81 15 G 9.82 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 16 S 8.00 4.31 0.00 3.80 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 17 L 8.41 5.19 0.00 1.50 1.57 0.91 0.75 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 18 I 9.06 4.77 2.00 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 1.34 0.92 0.88 0.00 0.00 19 T 8.42 4.41 4.36 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 1.19 0.00 0.00 20 C 8.40 4.75 0.00 2.98 3.03 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 0.00 0.00 0.00 21 A 8.37 4.52 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 22 D 7.63 5.19 0.00 2.78 2.62 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 0.00 0.00 0.00 0.00 23 N 8.38 5.05 0.00 2.80 2.89 0.00 0.00 5.95 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 24 T 8.37 3.97 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 1.25 0.00 0.00 25 G 8.31 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 26 A 7.47 4.73 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 27 R 9.21 4.41 0.00 1.83 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.01 5.10 0.00 1.98 1.72 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 2.24 2.41 0.00 29 L 9.34 5.28 0.00 1.53 1.47 0.88 0.86 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 30 K 8.66 4.94 0.00 1.78 1.61 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.33 7.81 31 V 8.79 4.01 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 0.84 0.00 0.00 0.94 0.00 0.00 32 I 8.54 4.38 1.97 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 0.90 0.91 0.00 0.00 33 S 7.76 4.71 0.00 3.74 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 34 V 8.19 4.57 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 0.97 0.00 0.00 0.84 0.00 0.00 35 H 9.01 4.21 0.00 3.18 3.36 0.00 6.09 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.57 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 0.00 0.00 0.00 37 Y 7.72 4.36 0.00 2.93 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 38 S 7.02 4.22 0.00 3.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 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 0.00 0.00 0.00 40 T 8.23 4.55 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 1.23 0.00 0.00 41 K 8.50 3.85 0.00 1.75 1.75 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.90 4.38 0.00 2.94 2.98 0.00 0.00 7.02 7.66 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 43 R 8.04 4.23 0.00 1.79 2.10 0.00 3.38 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 44 L 8.46 4.21 0.00 1.68 1.60 0.97 1.15 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 45 P 0.00 4.46 0.00 2.06 2.38 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 K 7.81 5.10 0.00 1.70 1.70 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.01 1.17 7.81 47 A 8.96 4.75 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 48 G 8.98 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 0.00 0.00 0.00 0.00 49 L 8.25 4.16 0.00 1.70 1.71 1.07 0.81 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 50 G 8.81 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 51 D 7.95 4.73 0.00 2.78 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 52 K 8.67 4.98 0.00 1.92 1.71 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.50 7.81 53 I 8.74 5.08 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.88 0.00 0.00 54 T 8.77 4.79 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 55 V 9.59 5.10 2.05 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 0.95 0.00 0.00 0.90 0.00 0.00 56 S 8.63 5.14 0.00 3.90 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 57 V 8.31 4.07 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 0.99 0.00 0.00 0.95 0.00 0.00 58 T 8.61 4.15 4.34 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 1.32 0.00 0.00 59 K 8.87 4.56 0.00 1.71 1.62 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.50 7.81 60 G 8.20 3.74 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 0.00 0.00 0.00 61 T 7.72 4.12 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 1.25 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.18 0.00 3.68 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 2.03 2.20 0.00 63 E 8.09 4.10 0.00 1.93 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 2.31 2.34 0.00 64 M 7.66 4.16 0.00 2.06 2.18 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 2.69 2.70 0.00 65 R 7.57 4.18 0.00 1.90 1.90 0.00 3.26 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 66 R 8.92 4.01 0.00 1.94 2.09 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.87 4.17 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 68 V 8.29 4.45 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 0.79 0.00 0.00 0.93 0.00 0.00 69 L 9.09 4.96 0.00 1.50 1.47 0.90 0.78 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 70 E 8.53 4.70 0.00 2.00 1.79 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 2.33 2.29 0.00 71 A 8.68 4.98 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 72 V 8.20 4.55 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 0.51 0.00 0.00 -0.10 0.00 0.00 73 V 8.50 4.13 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 0.84 0.00 0.00 0.88 0.00 0.00 74 V 8.88 4.26 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 0.78 0.00 0.00 0.91 0.00 0.00 75 R 7.47 4.19 0.00 1.49 1.16 0.00 3.01 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.32 0.00 76 Q 8.27 5.00 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 77 R 9.24 4.34 0.00 1.84 2.06 0.00 3.14 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.56 0.00 78 K 7.88 4.22 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 P 0.00 4.91 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 80 I 8.43 4.95 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.99 0.00 0.00 81 R 9.07 5.03 0.00 1.84 1.80 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 82 R 8.66 4.73 0.00 1.81 1.82 0.00 3.21 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 83 P 0.00 4.12 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 84 D 8.04 4.59 0.00 2.78 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 85 G 8.71 4.09 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 0.00 0.00 0.00 86 T 7.66 4.05 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 1.19 0.00 0.00 87 R 8.42 5.08 0.00 1.66 1.83 0.00 3.31 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.62 4.49 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 0.88 0.00 0.00 89 K 8.35 4.90 0.00 1.92 1.69 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.22 1.39 7.81 90 F 8.77 4.73 0.00 3.32 3.05 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 91 E 9.04 4.15 0.00 1.98 2.05 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 2.31 2.26 0.00 92 D 7.73 4.73 0.00 2.68 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 93 N 8.69 5.25 0.00 2.62 2.72 0.00 0.00 6.48 7.98 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 94 A 8.85 5.16 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 95 A 9.01 5.04 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 96 V 8.26 4.51 1.97 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 0.91 0.00 0.00 0.86 0.00 0.00 97 I 8.60 4.40 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.34 0.87 0.00 0.00 98 V 8.56 4.89 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 0.60 0.00 0.00 0.86 0.00 0.00 99 D 8.25 4.85 0.00 2.92 2.85 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 0.00 100 E 8.79 3.99 0.00 1.94 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 0.00 2.30 2.35 0.00 101 N 9.94 4.71 0.00 2.98 2.84 0.00 0.00 7.12 7.54 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 0.00 102 E 8.59 3.87 0.00 2.24 2.31 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 2.27 2.33 0.00 103 D 8.19 4.84 0.00 2.92 2.57 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 0.00 0.00 0.00 0.00 104 P 0.00 4.66 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 105 R 8.53 3.90 0.00 1.79 1.97 0.00 3.23 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.73 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 0.00 107 T 9.46 4.51 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 0.00 108 E 8.07 4.79 0.00 1.85 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 2.32 0.00 109 L 8.53 4.99 0.00 1.51 1.56 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.52 4.44 0.00 1.60 1.69 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 111 G 8.99 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 0.00 112 P 0.00 4.86 0.00 2.28 2.15 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 113 I 8.38 4.67 1.88 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 1.10 0.74 0.91 0.00 0.00 114 A 8.02 5.02 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 0.00 0.00 0.00 0.00 0.00 115 R 9.59 3.91 0.00 2.03 2.27 0.00 2.81 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 116 E 8.29 3.95 0.00 2.13 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 0.00 2.44 2.47 0.00 117 V 7.68 3.66 2.25 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 1.33 0.00 0.00 1.01 0.00 0.00 118 A 8.05 4.04 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 0.00 119 Q 8.11 4.00 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 120 R 7.45 4.12 0.00 1.63 1.76 0.00 2.98 0.00 0.00 2.73 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 121 F 8.12 4.82 0.00 3.15 2.90 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 0.00 122 G 8.47 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 0.00 0.00 0.00 123 S 8.08 4.04 0.00 4.10 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 0.00 124 V 7.77 3.59 2.38 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 1.02 0.00 0.00 0.87 0.00 0.00 125 A 8.18 4.15 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 0.00 126 S 8.88 4.65 0.00 4.02 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 0.00 127 A 9.04 4.57 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 0.00 128 A 7.16 4.32 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 0.00 129 T 8.52 4.26 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 0.00 130 M 7.79 4.87 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.34 4.54 1.90 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 1.26 0.63 0.97 0.00 0.00 132 V 8.99 3.99 2.24 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 0.85 0.00 0.00 1.01 0.00 0.00