NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4838 8.3049 120.3265 55.1147 33.4358 174.4880 2 E 4.4845 8.4584 122.0339 53.3574 32.7792 174.0631 3 S 4.2929 9.2906 119.0901 57.7300 63.9681 174.7477 4 K 4.0811 8.7206 128.3080 59.3639 32.2370 179.3131 5 R 3.9462 7.5848 114.9077 58.2638 29.4222 177.1643 6 N 4.9415 7.8651 114.5716 53.0749 39.1225 174.8582 7 K 4.8026 7.8356 118.4915 53.7381 34.7230 174.5968 8 P 5.1080 0.0000 0.0000 63.0757 32.4298 175.4438 9 G 3.9594 7.7083 107.0625 45.8431 0.0000 171.2816 10 K 5.0014 8.3256 120.7058 54.0043 34.1049 175.8261 11 A 4.6338 9.2564 130.6390 52.5810 19.4107 176.2583 12 T 4.8317 9.1539 111.1843 59.9993 73.1822 173.0759 13 G 3.8319 9.0294 107.3994 45.1261 0.0000 173.3153 14 K 4.2414 9.5070 116.8939 55.1899 33.9847 178.5873 15 G 4.0365 8.3293 107.1254 45.0325 0.0000 172.5204 16 K 4.6707 8.0340 115.9052 53.7210 36.2118 174.2773 17 P 4.7907 0.0000 0.0000 62.3423 31.7690 176.3226 18 V 4.4974 7.9503 114.4908 59.6958 35.8221 174.6800 19 G 4.1359 8.2015 110.1743 43.7635 0.0000 174.0615 20 D 4.7598 8.6205 117.5974 55.1475 39.7126 176.7312 21 K 4.5365 8.0130 121.2399 56.0215 32.6747 177.3492 22 W 4.4745 8.5287 118.7269 59.7759 27.7058 177.8384 23 L 3.4689 7.0104 118.2764 56.6732 40.9668 178.8199 24 D 4.4197 7.9228 119.4249 57.3892 40.8646 178.0917 25 D 4.5625 8.1181 117.8417 56.2634 40.8572 178.1922 26 A 4.5539 8.0374 121.5652 54.0268 18.1317 178.6126 27 G 3.9900 7.6965 102.0237 43.6960 0.0000 173.2479 28 K 4.7749 7.1978 119.7163 54.6317 36.6772 177.8990 29 D 4.6108 8.1666 120.4160 56.4700 39.6613 175.1047 30 S 4.6274 8.8379 120.3169 59.3163 63.1038 174.9338 31 G 3.8620 8.3531 110.5995 44.6524 0.0000 173.3842 32 A 4.7444 8.5332 120.2552 50.3635 20.4400 175.8933 33 P 4.8253 0.0000 0.0000 62.0479 33.2413 175.9717 34 I 3.8780 8.2207 121.1304 60.5099 38.0984 174.4444 35 P 4.5304 0.0000 0.0000 62.4427 31.6629 177.0211 36 D 4.6331 8.6323 124.1351 56.3197 38.9600 179.4904 37 R 3.9678 7.7374 118.7302 58.7175 30.0709 178.9959 38 I 3.5841 7.4473 119.1730 64.1962 37.1344 177.8338 39 A 4.0269 8.0121 121.7132 55.5700 17.9408 179.3941 40 D 4.2914 8.3257 116.4093 57.4602 40.8922 178.9131 41 K 4.1535 7.5920 118.4117 58.6995 32.4900 178.5938 42 L 4.5533 7.9981 118.1243 54.5806 42.2595 176.8698 43 R 4.3316 7.6533 119.7433 57.8334 30.3312 176.5139 44 D 4.6514 9.1154 123.4670 54.5084 39.9177 174.4637 45 K 4.1809 7.9296 119.4051 55.9223 33.5324 175.4957 46 E 4.7004 8.1556 123.9485 55.0360 31.0093 175.1117 47 F 4.8894 8.5792 124.4637 55.5925 42.4557 176.5626 48 K 4.1665 9.3579 120.6022 58.9788 32.6184 177.4663 49 S 5.1135 7.7010 113.2849 57.2589 66.5402 175.6328 50 F 4.3137 9.2784 124.5236 61.5980 39.0024 176.8479 51 D 4.5123 8.3527 118.2216 57.2949 40.6519 178.1374 52 D 4.3917 8.2369 118.2881 57.1850 41.2092 177.8817 53 F 3.1707 8.3074 121.2282 61.0568 39.4646 176.9059 54 R 3.3360 7.9720 118.5164 59.2152 29.7838 178.2698 55 K 4.2956 8.2959 120.3632 58.9937 32.1434 178.5281 56 A 4.1392 7.8670 120.9996 55.0051 18.1426 179.6733 57 V 3.0100 7.1756 116.8840 65.9486 31.4994 178.4226 58 W 4.3939 7.5823 117.9606 59.4506 28.6825 178.4849 59 E 4.0309 8.4892 118.6024 59.5820 29.3473 178.9199 60 E 4.0675 8.5253 118.9688 59.2111 29.5231 179.3844 61 V 3.6635 8.1180 118.9611 66.2337 31.3896 178.3165 62 S 4.2593 8.1306 112.5337 61.1026 62.8854 175.9090 63 K 4.3831 7.7398 119.7458 56.1926 32.2520 175.9941 64 D 4.7278 7.5227 120.0572 51.7058 41.6173 174.9029 65 P 4.3253 0.0000 0.0000 65.7127 31.6540 178.8639 66 E 4.0535 8.2127 116.4839 58.9934 29.5795 177.8444 67 L 4.4247 8.0661 117.2392 55.8527 42.1914 177.4076 68 S 4.7958 7.8464 112.0367 57.7802 64.1920 175.9756 69 K 3.9243 7.8515 122.7226 59.4746 31.9511 177.0393 70 N 4.5743 8.0809 115.1050 54.7482 39.3773 175.0067 71 L 4.1514 7.5152 118.4686 54.6941 42.2958 177.1826 72 N 4.7237 8.4251 120.3309 51.6272 39.9139 174.3261 73 P 4.2176 0.0000 0.0000 65.9992 31.3281 179.1781 74 S 4.1592 8.0736 113.4158 61.6861 62.8084 176.2860 75 N 4.4356 8.5694 119.1016 55.9280 38.2613 177.7387 76 K 4.0140 8.2941 120.5671 59.4074 31.8683 179.5010 77 S 4.1230 7.9321 114.6963 61.5535 63.0172 176.5762 78 S 4.3144 7.9529 117.5376 61.9730 62.6109 177.4069 79 V 4.1198 7.9220 116.1401 63.8303 31.0152 178.7451 80 S 4.0988 7.9696 114.3405 60.9607 62.6922 175.8200 81 K 4.1150 7.5414 118.7638 55.7021 32.2326 177.5532 82 G 3.9942 8.1193 108.6086 45.8620 0.0000 173.1360 83 Y 4.7834 7.2894 116.9498 56.7150 39.0788 174.9390 84 S 2.7900 8.1422 117.3928 56.8608 63.3462 172.2062 85 P 4.5378 0.0000 0.0000 62.2386 32.6840 175.2940 86 A 4.5433 8.9685 124.6408 52.3132 18.8717 177.7557 87 T 4.0319 8.0661 112.6108 59.6988 70.5258 172.9922 88 P 4.2801 0.0000 0.0000 62.4431 32.2391 177.4015 89 K 3.7300 8.8930 122.9517 59.7706 31.9755 178.1242 90 N 4.5347 8.0938 112.9715 54.4704 37.5488 175.0806 91 Q 4.4517 8.2120 118.1046 55.7988 29.5090 175.3884 92 Q 4.5276 7.8288 117.5972 54.9936 29.9564 175.9485 93 V 4.2109 8.3185 119.3008 61.6080 34.0566 176.5901 94 G 4.1075 8.3178 119.5522 47.1170 0.0000 173.2801 95 G 3.7432 8.8344 112.9073 45.3491 0.0000 173.4318 96 R 4.2848 8.1718 121.2190 55.0028 29.3788 176.7375 97 K 4.4695 8.3448 120.9294 55.7548 33.6233 176.1536 98 V 4.7317 7.1437 111.0514 58.9383 35.3312 175.0255 99 Y 4.2761 8.1092 120.1021 58.6667 38.5025 175.9092 100 E 4.9272 9.6969 122.0493 54.6406 33.2723 174.8681 101 L 5.2280 8.6633 122.8717 53.8708 43.2172 175.6110 102 H 5.0323 9.2988 120.7033 54.1978 33.2045 172.1998 103 H 4.9671 8.6005 117.5937 55.1100 29.3580 174.8164 104 D 4.4195 9.2839 125.0040 57.0936 41.6047 176.1815 105 K 4.2389 8.9819 121.5039 54.5084 32.8120 174.5693 106 P 4.5397 0.0000 0.0000 62.6398 32.2887 177.5443 107 I 4.1665 8.5048 121.8109 63.9883 37.1734 178.5304 108 S 4.2671 7.9953 113.0524 60.2611 62.9376 174.6005 109 Q 4.4731 8.0152 119.1671 55.8726 28.8645 176.2089 110 G 4.0059 8.0937 106.0625 44.9733 0.0000 175.0190 111 G 4.0173 8.0555 109.0744 44.7403 0.0000 173.3512 112 E 4.5178 8.3094 121.5711 55.1365 30.8984 177.1789 113 V 3.3014 8.2702 121.4248 65.6021 31.8163 176.6947 114 Y 4.1421 7.6898 114.5467 57.4159 38.4409 174.5569 115 D 4.9010 7.6907 120.5644 53.0606 40.5489 176.7883 116 M 4.3356 9.0825 128.1889 57.8390 32.0593 177.5668 117 D 4.5703 8.3534 117.1405 55.3409 41.4042 176.1120 118 N 4.9344 8.5864 118.3196 53.1860 40.1221 173.5042 119 I 5.0746 7.7250 117.2105 59.8804 40.0355 175.0397 120 R 4.9365 9.2427 124.1436 54.4565 34.4461 174.4510 121 V 4.9448 9.2443 122.7613 61.8101 33.3160 174.8452 122 T 5.4628 9.2295 118.1692 59.8128 72.5213 173.6294 123 T 4.1905 8.5336 112.9731 60.9567 70.0596 173.7492 124 P 4.2406 0.0000 0.0000 65.7182 31.2629 178.8460 125 K 3.8906 8.1126 118.2651 59.5929 32.1037 178.8702 126 R 3.8741 8.0455 118.9910 59.4882 29.9114 177.7783 127 H 4.0821 8.5584 118.4334 59.5424 29.7829 177.3327 128 I 3.6740 7.9595 121.4966 64.3387 36.6440 178.1966 129 D 4.3382 8.0933 119.1200 57.3084 40.9758 178.5785 130 I 3.8230 7.8709 120.3136 64.6957 37.2644 177.9442 131 H 4.0775 8.3688 119.3210 59.4217 29.4748 177.5142 132 R 4.0569 8.2519 118.9125 58.4967 29.9332 178.4139 133 G 3.8175 7.5270 103.2498 45.4588 0.0000 173.8549 134 K 4.1519 7.5130 124.8320 56.6995 32.0296 176.6971 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 4.48 0.00 2.00 2.07 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 2.49 2.62 0.00 2 E 8.46 4.48 0.00 2.00 1.82 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 2.20 2.36 0.00 3 S 9.29 4.29 0.00 3.85 3.76 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 4 K 8.72 4.08 0.00 1.79 1.81 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.41 7.81 5 R 7.58 3.95 0.00 1.84 1.97 0.00 2.73 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 6 N 7.87 4.94 0.00 2.85 2.93 0.00 0.00 6.83 7.16 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 7 K 7.84 4.80 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 8 P 0.00 5.11 0.00 1.94 2.05 0.00 3.82 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 9 G 7.71 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 10 K 8.33 5.00 0.00 1.69 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.45 7.81 11 A 9.26 4.63 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 0.00 0.00 0.00 0.00 0.00 12 T 9.15 4.83 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 1.30 0.00 0.00 13 G 9.03 3.83 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 0.00 0.00 0.00 14 K 9.51 4.24 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.35 7.81 15 G 8.33 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 16 K 8.03 4.67 0.00 1.74 1.63 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.55 7.81 17 P 0.00 4.79 0.00 2.02 1.95 0.00 3.66 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 18 V 7.95 4.50 2.17 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 0.77 0.00 0.00 0.49 0.00 0.00 19 G 8.20 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 20 D 8.62 4.76 0.00 2.88 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 21 K 8.01 4.54 0.00 1.84 1.83 0.00 1.88 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.53 7.81 22 W 8.53 4.47 0.00 3.73 3.47 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 23 L 7.01 3.47 0.00 1.14 0.92 0.22 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.92 4.42 0.00 2.90 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 25 D 8.12 4.56 0.00 3.00 2.78 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 26 A 8.04 4.55 1.59 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 0.00 0.00 27 G 7.70 3.99 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 0.00 0.00 0.00 28 K 7.20 4.77 0.00 1.99 1.70 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.39 7.81 29 D 8.17 4.61 0.00 2.81 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 0.00 0.00 0.00 0.00 30 S 8.84 4.63 0.00 3.88 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 31 G 8.35 3.86 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 0.00 0.00 0.00 32 A 8.53 4.74 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 33 P 0.00 4.83 0.00 2.11 2.11 0.00 3.92 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 2.03 2.04 0.00 34 I 8.22 3.88 1.88 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 1.41 0.96 0.84 0.00 0.00 35 P 0.00 4.53 0.00 1.69 1.41 0.00 3.20 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 0.52 0.95 0.00 36 D 8.63 4.63 0.00 2.88 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 37 R 7.74 3.97 0.00 1.74 1.93 0.00 3.07 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 38 I 7.45 3.58 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.68 0.00 0.00 39 A 8.01 4.03 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 40 D 8.33 4.29 0.00 2.77 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 41 K 7.59 4.15 0.00 1.79 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.68 7.81 42 L 8.00 4.55 0.00 1.83 1.98 0.53 0.82 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 43 R 7.65 4.33 0.00 1.93 1.88 0.00 3.37 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 44 D 9.12 4.65 0.00 2.86 2.82 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 45 K 7.93 4.18 0.00 1.68 1.27 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.51 7.81 46 E 8.16 4.70 0.00 1.81 1.61 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 2.07 2.34 0.00 47 F 8.58 4.89 0.00 2.90 3.06 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 48 K 9.36 4.17 0.00 2.11 1.94 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 0.99 7.81 49 S 7.70 5.11 0.00 4.27 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 F 9.28 4.31 0.00 2.93 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 51 D 8.35 4.51 0.00 2.83 2.79 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 52 D 8.24 4.39 0.00 2.98 3.10 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 53 F 8.31 3.17 0.00 3.02 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 54 R 7.97 3.34 0.00 1.52 1.99 0.00 3.25 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 55 K 8.30 4.30 0.00 1.96 2.01 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.60 1.54 7.81 56 A 7.87 4.14 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 57 V 7.18 3.01 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 0.15 0.00 0.00 -0.16 0.00 0.00 58 W 7.58 4.39 0.00 3.56 3.36 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 59 E 8.49 4.03 0.00 2.07 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 2.36 2.53 0.00 60 E 8.53 4.07 0.00 1.92 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 2.48 2.38 0.00 61 V 8.12 3.66 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 1.47 0.00 0.00 1.04 0.00 0.00 62 S 8.13 4.26 0.00 4.11 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 63 K 7.74 4.38 0.00 1.92 1.89 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.62 7.81 64 D 7.52 4.73 0.00 2.72 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 65 P 0.00 4.33 0.00 2.22 2.09 0.00 3.63 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 2.11 2.11 0.00 66 E 8.21 4.05 0.00 2.05 2.00 0.00 0.00 0.00 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 67 L 8.07 4.42 0.00 1.68 1.79 0.52 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.85 4.80 0.00 4.02 4.40 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 69 K 7.85 3.92 0.00 1.92 1.94 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.41 7.81 70 N 8.08 4.57 0.00 2.90 2.83 0.00 0.00 7.00 7.78 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 71 L 7.52 4.15 0.00 1.86 1.59 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.43 4.72 0.00 2.92 2.96 0.00 0.00 6.18 7.76 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 73 P 0.00 4.22 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 74 S 8.07 4.16 0.00 3.99 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 75 N 8.57 4.44 0.00 2.74 2.84 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 76 K 8.29 4.01 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.49 1.80 7.81 77 S 7.93 4.12 0.00 4.02 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 78 S 7.95 4.31 0.00 4.05 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 79 V 7.92 4.12 2.44 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 1.18 0.00 0.00 1.09 0.00 0.00 80 S 7.97 4.10 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 81 K 7.54 4.11 0.00 0.79 0.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.14 7.81 82 G 8.12 3.99 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 0.00 0.00 0.00 83 Y 7.29 4.78 0.00 3.07 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 84 S 8.14 2.79 0.00 3.51 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 85 P 0.00 4.54 0.00 2.10 2.00 0.00 2.20 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 86 A 8.97 4.54 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 87 T 8.07 4.03 3.80 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 0.00 0.00 0.00 0.15 0.00 0.00 88 P 0.00 4.28 0.00 2.31 2.00 0.00 3.53 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 89 K 8.89 3.73 0.00 1.74 1.80 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 90 N 8.09 4.53 0.00 2.83 2.91 0.00 0.00 5.88 7.39 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 91 Q 8.21 4.45 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 92 Q 7.83 4.53 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 93 V 8.32 4.21 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 1.04 0.00 0.00 0.90 0.00 0.00 94 G 8.32 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 95 G 8.83 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 96 R 8.17 4.28 0.00 1.96 2.04 0.00 3.07 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 97 K 8.34 4.47 0.00 1.68 1.68 0.00 1.55 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.49 7.81 98 V 7.14 4.73 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 0.63 0.00 0.00 0.84 0.00 0.00 99 Y 8.11 4.28 0.00 2.74 3.10 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 0.00 100 E 9.70 4.93 0.00 1.95 1.74 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 2.25 2.44 0.00 101 L 8.66 5.23 0.00 1.82 1.90 0.74 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 102 H 9.30 5.03 0.00 3.09 3.16 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.60 4.97 0.00 2.92 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.28 4.42 0.00 2.66 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 0.00 105 K 8.98 4.24 0.00 1.78 1.75 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.40 7.81 106 P 0.00 4.54 0.00 2.19 1.94 0.00 3.64 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 2.11 0.00 107 I 8.50 4.17 1.72 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 0.78 1.85 0.79 0.00 0.00 108 S 8.00 4.27 0.00 3.95 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 0.00 109 Q 8.02 4.47 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.63 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 110 G 8.09 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 0.00 111 G 8.06 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 0.00 112 E 8.31 4.52 0.00 1.96 1.89 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 2.28 2.28 0.00 113 V 8.27 3.30 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 -0.13 0.00 0.00 0.72 0.00 0.00 114 Y 7.69 4.14 0.00 3.19 2.72 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 0.00 115 D 7.69 4.90 0.00 2.94 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 0.00 116 M 9.08 4.34 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.74 0.00 117 D 8.35 4.57 0.00 2.83 2.72 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 0.00 118 N 8.59 4.93 0.00 2.95 2.87 0.00 0.00 6.91 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 0.00 119 I 7.72 5.07 1.96 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 1.27 0.90 1.11 0.00 0.00 120 R 9.24 4.94 0.00 1.73 1.95 0.00 3.32 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 121 V 9.24 4.94 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 1.27 0.00 0.00 1.12 0.00 0.00 122 T 9.23 5.46 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 1.34 0.00 0.00 123 T 8.53 4.19 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 0.00 124 P 0.00 4.24 0.00 2.26 2.13 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 125 K 8.11 3.89 0.00 1.86 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 8.05 3.87 0.00 2.12 1.95 0.00 3.22 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 127 H 8.56 4.08 0.00 3.21 3.48 0.00 5.64 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 0.00 128 I 7.96 3.67 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 0.91 0.00 0.00 129 D 8.09 4.34 0.00 2.77 2.72 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 0.00 130 I 7.87 3.82 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.90 0.00 0.00 131 H 8.37 4.08 0.00 3.07 3.37 0.00 5.78 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 0.00 132 R 8.25 4.06 0.00 1.84 1.96 0.00 3.20 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 133 G 7.53 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 0.00 134 K 7.51 4.15 0.00 1.80 1.69 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.65 1.49 7.81