NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3619 8.3027 120.2360 56.6514 32.1480 177.5600 4 N 4.5060 7.9769 116.6590 55.7595 39.0868 175.5365 5 L 3.9795 8.1562 121.8586 57.9257 42.4376 177.4511 6 Y 3.8746 7.9895 118.3511 60.9116 38.7524 177.9455 7 F 4.3158 7.5481 115.6692 60.3948 39.2846 177.0202 8 Q 4.3105 8.5316 119.6156 59.1408 28.7663 179.4888 9 G 3.7267 8.1366 103.5709 45.5916 0.0000 175.2338 *11 S 4.4246 8.0140 118.7222 58.3686 65.0441 175.8327 12 D 4.3469 8.2167 120.0526 57.5351 40.4283 179.2977 13 V 3.5442 7.8426 118.4218 65.9080 31.6603 178.0910 14 I 3.8043 7.6370 119.0252 64.6075 37.1078 177.9990 15 E 4.1091 8.5248 120.2863 58.9817 29.3572 179.0807 16 G 3.5876 8.4200 106.4358 47.7470 0.0000 175.9357 17 R 4.4580 8.1658 121.9859 58.4194 30.0265 178.9437 18 L 4.0512 7.9150 119.8632 58.0968 42.1340 179.1136 19 K 4.2641 8.0020 119.7813 59.0550 31.9217 179.1402 20 E 4.0390 8.4058 118.7934 59.1103 29.1282 178.8376 21 L 4.3731 7.5681 117.0649 55.2311 41.9371 177.6892 22 G 3.9150 7.8241 107.1569 44.9141 0.0000 173.2693 23 F 4.9095 8.4493 118.6568 55.4609 41.6130 174.6033 24 T 4.6203 8.2681 114.2431 59.5369 70.8149 174.2679 25 L 4.1505 8.2914 123.9019 53.9870 42.2369 175.5983 26 P 4.5471 0.0000 0.0000 62.2326 32.5742 176.9340 27 V 3.7464 7.7898 118.6700 62.2116 33.0830 174.3211 *33 A 4.0525 8.1781 120.7451 52.1626 19.2562 176.6443 34 N 4.5887 8.6311 115.4262 54.7065 38.9148 175.1427 35 Y 4.9195 7.6186 115.5731 54.9506 40.0624 175.0955 36 V 4.3666 7.8782 113.3741 58.5604 35.1868 175.0176 37 P 4.6837 0.0000 0.0000 65.5842 32.1245 175.6619 38 F 5.5449 6.7565 110.3155 56.2087 40.9222 173.5033 39 T 4.9877 9.2434 109.5053 60.1611 72.5986 172.5032 40 I 5.1203 8.5108 122.4129 59.6698 40.3896 175.0655 41 S 4.5816 9.2015 121.2428 57.1627 65.5139 173.8658 42 G 3.9025 8.4431 118.1187 47.2417 0.0000 173.3044 43 N 4.8796 8.8510 121.3268 52.0446 37.5606 173.0130 44 L 5.0373 8.1795 119.5932 53.4969 44.3122 175.0246 45 L 5.1291 9.0699 126.2196 53.6364 44.4609 174.4139 46 Y 4.8289 9.2704 125.1754 56.6361 39.7411 174.7277 47 V 4.9006 8.7461 125.4888 60.9304 33.7110 175.5271 48 S 4.4600 9.1531 124.6342 58.3207 63.7782 174.3769 49 G 4.0511 8.7629 108.7187 46.7760 0.0000 172.5923 50 Q 4.8374 9.3912 125.0552 54.5092 31.1368 175.4482 51 L 5.2361 8.3906 122.6917 52.5095 44.5362 173.9976 52 P 4.4310 0.0000 0.0000 62.3304 33.2187 175.0714 *54 E 4.2212 8.5979 122.4243 57.2770 30.4658 175.6599 55 S 3.8040 9.6030 122.3473 59.8286 60.4501 172.8886 56 G 3.9462 8.4821 103.7106 46.0454 0.0000 174.0118 57 K 4.5757 7.7363 117.0525 53.8763 35.7464 176.3334 58 I 3.9973 8.2019 122.2304 61.1538 37.0518 176.2102 59 A 4.1822 8.8859 130.2117 53.7528 19.0822 177.5218 60 V 4.3827 7.6638 115.4697 61.3854 33.9969 174.1206 61 T 4.9448 8.6166 116.4128 60.5577 71.3956 173.6103 62 G 3.8597 8.9246 108.9434 44.6815 0.0000 172.2127 63 L 4.5860 8.7797 118.7230 53.3528 42.7105 177.1486 64 V 3.7291 8.4594 124.5332 64.0914 31.7333 176.8709 65 G 4.0651 9.2394 116.1993 45.3828 0.0000 172.9962 66 R 4.4022 7.3892 116.6541 57.5203 31.9934 175.4706 67 D 4.6717 8.6409 116.4049 55.2842 41.9664 177.5492 68 V 4.4355 7.2233 110.6899 58.6904 35.6744 174.6787 69 D 4.9601 8.1890 122.9466 51.9442 42.4924 177.7119 70 V 3.5737 8.2077 117.7720 66.0884 31.3932 177.4996 71 A 4.2565 7.8538 121.1481 54.9208 18.3533 179.5826 72 S 4.0767 8.7205 113.7376 61.7827 62.7915 176.9268 73 A 4.0346 8.1394 123.4013 55.0384 17.7038 179.7273 74 Q 4.1119 8.5224 117.3063 59.1329 28.7384 178.8654 75 R 4.3574 8.3433 120.8948 58.7283 30.0096 178.2979 76 A 3.9839 8.1229 120.4092 55.1965 18.3444 179.4136 77 A 3.9101 8.2515 119.3716 55.3528 18.3053 179.4943 78 E 3.7274 8.3886 117.3179 59.6709 29.5424 179.7584 79 L 3.8845 8.0149 118.7478 57.8939 41.6031 179.1362 80 C 4.1618 8.3539 116.7666 63.0615 28.0554 176.2302 81 A 3.8965 8.0113 122.1964 55.0460 17.9270 179.9050 82 V 3.4241 7.7978 116.9324 66.1224 31.5545 178.1121 83 N 4.3813 8.3062 116.3707 56.0890 38.2562 177.3570 84 I 3.6699 7.9492 121.4733 64.5727 37.2337 178.3160 85 L 3.9062 8.0546 119.4391 57.8077 41.4230 179.5394 86 A 4.0135 8.1228 120.5949 55.2350 18.3216 179.7826 87 Q 4.0254 8.1105 116.5798 59.0483 28.8557 178.9755 88 V 3.3449 7.9345 119.4948 65.7092 31.4552 177.7713 89 K 3.7769 8.3548 119.4477 59.5458 31.9529 178.3492 90 A 3.9658 7.9744 120.5578 55.3338 18.1085 179.3708 91 A 3.4566 7.7324 118.1032 54.3847 18.4144 178.8234 92 L 4.4019 7.5917 115.6710 53.5735 42.1049 176.4718 93 N 3.9520 9.0508 114.2950 54.4680 36.5439 175.4800 94 G 3.9291 8.6930 106.2294 45.1945 0.0000 174.3773 95 D 4.7860 7.6523 120.2694 52.0204 40.7485 176.8093 96 L 4.1302 8.2262 124.7138 56.9144 41.9530 179.9302 97 S 4.2690 7.7327 114.0896 61.0079 63.0422 175.3035 98 K 4.3601 7.9928 118.0117 56.3233 32.0127 176.6525 99 I 3.9864 7.3146 121.6759 61.7260 37.2046 175.9361 100 R 4.2951 8.9542 125.9220 58.5363 30.8992 177.3188 101 R 4.7606 7.4811 117.0482 54.9578 33.5195 173.9614 102 V 4.0180 8.7853 126.8803 63.0301 32.0508 176.5331 103 I 3.9124 8.7227 130.3953 63.8738 38.3253 176.3851 104 K 5.0115 7.6900 121.3392 55.1185 35.7823 174.3297 105 L 5.1102 8.8175 126.4496 52.9622 45.4091 175.0557 106 N 4.8733 8.7512 120.0948 51.4598 41.0524 173.9357 107 G 3.8832 8.6732 112.7890 44.5272 0.0000 171.9095 108 F 5.5447 8.9055 126.3143 55.6946 41.5122 175.1704 109 V 4.8138 8.9141 124.3903 60.6127 34.1352 174.4690 110 A 4.4990 9.1906 131.4081 52.4209 19.1220 176.3033 111 S 5.1150 8.4955 117.8885 56.8568 67.1687 174.7685 112 V 3.9932 8.3682 116.3690 60.6399 32.2409 175.9075 113 P 4.3737 0.0000 0.0000 65.0420 31.3624 177.5523 114 E 4.1812 8.1105 116.2133 57.3337 29.9267 176.1544 115 F 4.5982 8.0966 122.4094 57.6852 39.7633 175.3879 116 V 4.4482 7.3128 120.5439 61.1872 33.2380 175.4232 117 E 4.5501 5.9000 118.1495 55.5956 30.4379 178.4469 118 Q 4.2806 8.0582 120.4922 59.3222 28.7723 177.8915 119 H 4.2222 8.3053 115.9065 58.7811 28.3058 177.5839 120 L 3.9459 7.3320 120.2700 57.1853 41.7793 179.1509 121 V 3.7834 7.7873 118.0821 66.3131 31.5200 178.3312 122 I 3.8269 7.9359 119.1709 64.0432 36.7954 177.8745 123 N 4.3488 8.3798 117.9072 56.2205 38.0766 177.1120 124 G 3.8043 8.1220 106.9531 47.9529 0.0000 175.5443 125 A 3.9595 7.8429 122.8430 54.9036 18.5982 179.6853 126 S 4.1584 8.2247 113.8313 61.9656 62.9117 176.8466 127 N 4.3652 8.5893 119.5687 56.0219 38.2689 177.3464 128 L 3.9304 7.6586 121.7417 58.2002 42.3048 179.1045 129 I 3.6641 8.0152 119.8267 64.4237 37.0820 178.3996 130 A 4.0673 8.2248 121.6016 55.2421 17.9118 179.9427 131 T 3.8482 7.7385 113.7805 66.9046 68.6738 177.0704 132 V 3.8848 7.7808 112.6132 62.9953 31.8437 177.5661 133 L 4.5206 7.7955 116.4031 55.1256 43.2655 178.6302 134 G 3.7757 8.4614 108.0675 45.3777 0.0000 174.2628 135 E 3.9062 8.9730 118.6444 59.0661 29.7583 178.3526 136 P 4.3472 0.0000 0.0000 65.0356 31.4852 178.1258 137 G 3.6882 8.2002 106.3714 46.9318 0.0000 174.2043 138 R 4.1200 7.8307 120.5860 56.1939 30.5554 175.5015 139 H 5.3032 8.2269 116.6556 52.3538 32.1437 172.9217 140 A 4.3224 8.4733 121.1767 52.5693 19.6514 176.3723 141 R 5.1557 8.1362 116.9488 55.3825 33.1394 173.8479 142 A 4.9305 8.7276 125.7640 50.0513 22.6403 175.1051 143 A 5.0045 8.4479 121.1105 50.4663 21.7204 175.9366 144 V 4.5455 8.9291 115.1026 59.9993 36.6291 175.3740 145 G 4.5501 8.6731 109.7401 44.4994 0.0000 173.4037 *147 A 4.4599 8.4719 121.9642 51.7752 20.2694 176.6311 148 S 4.6062 7.2636 106.8394 58.4056 65.0387 175.1666 149 L 4.7842 7.5011 118.8169 51.9864 45.7503 174.2822 150 P 4.1595 0.0000 0.0000 64.6200 31.6121 176.9552 151 F 3.5808 8.7774 118.7536 57.9587 36.4771 174.6119 152 N 4.1973 8.3351 116.8347 54.2149 37.7110 173.7665 153 A 4.5204 7.9179 118.4829 52.2704 19.0884 179.0438 154 S 4.5598 8.6369 117.2423 60.2994 64.1197 174.6016 155 V 5.0478 7.6025 117.5306 61.2244 34.6391 173.9491 156 E 5.0903 9.5844 127.2459 54.6521 33.4858 174.1992 157 I 4.9363 8.9531 126.5571 59.7199 41.6007 174.5413 158 D 5.3223 8.7024 126.0186 52.0741 42.7390 174.6806 159 A 5.0674 8.4166 118.5892 50.8266 23.3155 175.2230 160 I 4.6212 8.6220 120.5231 59.3263 40.5923 175.0115 161 V 4.7162 8.6199 126.5782 60.9329 34.8555 173.7612 162 E 4.8545 9.4383 129.8144 55.5958 30.7237 175.1566 163 I 5.0241 8.4717 119.9400 58.7523 40.9780 175.2111 164 D 4.5562 9.1508 121.6630 54.6649 40.8452 176.5927 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 3 E 8.30 4.36 0.00 2.11 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 2.31 2.32 0.00 4 N 7.98 4.51 0.00 3.00 2.88 0.00 0.00 6.62 5.78 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 5 L 8.16 3.98 0.00 1.83 1.69 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.99 3.87 0.00 2.85 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 7 F 7.55 4.32 0.00 3.22 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 8 Q 8.53 4.31 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 9 G 8.14 3.73 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 0.00 0.00 0.00 *11 S 8.01 4.42 0.00 4.08 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 12 D 8.22 4.35 0.00 2.94 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 13 V 7.84 3.54 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 1.08 0.00 0.00 0.94 0.00 0.00 14 I 7.64 3.80 1.99 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 1.68 0.97 0.90 0.00 0.00 15 E 8.52 4.11 0.00 2.21 1.94 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 2.32 2.33 0.00 16 G 8.42 3.59 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 0.00 17 R 8.17 4.46 0.00 2.05 2.01 0.00 3.28 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 18 L 7.91 4.05 0.00 1.82 1.88 0.91 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.00 4.26 0.00 2.06 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.56 7.81 20 E 8.41 4.04 0.00 2.25 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 2.33 2.51 0.00 21 L 7.57 4.37 0.00 2.01 1.98 0.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.82 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 23 F 8.45 4.91 0.00 3.05 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 24 T 8.27 4.62 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 1.23 0.00 0.00 25 L 8.29 4.15 0.00 1.67 1.66 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.55 0.00 2.18 2.07 0.00 3.77 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 1.99 2.06 0.00 27 V 7.79 3.75 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 0.80 0.00 0.00 0.94 0.00 0.00 *33 A 8.18 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.63 4.59 0.00 2.82 2.94 0.00 0.00 6.68 7.46 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 35 Y 7.62 4.92 0.00 3.05 2.84 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 36 V 7.88 4.37 1.81 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 0.76 0.00 0.00 0.93 0.00 0.00 37 P 0.00 4.68 0.00 2.38 2.34 0.00 3.42 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 38 F 6.76 5.54 0.00 3.14 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 39 T 9.24 4.99 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 1.22 0.00 0.00 40 I 8.51 5.12 1.97 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 1.29 0.86 1.00 0.00 0.00 41 S 9.20 4.58 0.00 3.79 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 42 G 8.44 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 43 N 8.85 4.88 0.00 3.09 3.01 0.00 0.00 5.82 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 44 L 8.18 5.04 0.00 1.89 1.62 0.98 0.66 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 45 L 9.07 5.13 0.00 1.66 1.64 0.84 0.61 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 46 Y 9.27 4.83 0.00 2.99 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 47 V 8.75 4.90 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 1.11 0.00 0.00 0.95 0.00 0.00 48 S 9.15 4.46 0.00 3.97 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 49 G 8.76 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 0.00 0.00 0.00 50 Q 9.39 4.84 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 51 L 8.39 5.24 0.00 1.53 1.64 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.43 0.00 2.13 2.39 0.00 3.76 0.00 0.00 3.98 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 *54 E 8.60 4.22 0.00 2.10 1.94 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 2.30 2.40 0.00 55 S 9.60 3.80 0.00 4.04 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 56 G 8.48 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 57 K 7.74 4.58 0.00 1.85 1.66 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.35 7.81 58 I 8.20 4.00 1.89 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 1.22 0.73 0.95 0.00 0.00 59 A 8.89 4.18 1.31 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 0.00 0.00 0.00 60 V 7.66 4.38 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 1.09 0.00 0.00 0.95 0.00 0.00 61 T 8.62 4.94 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 1.25 0.00 0.00 62 G 8.92 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 63 L 8.78 4.59 0.00 1.68 1.57 0.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.46 3.73 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 -0.22 0.00 0.00 0.82 0.00 0.00 65 G 9.24 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0.00 0.00 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 Q 8.52 4.11 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 75 R 8.34 4.36 0.00 2.00 2.17 0.00 3.42 0.00 0.00 3.54 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 76 A 8.12 3.98 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 77 A 8.25 3.91 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 78 E 8.39 3.73 0.00 2.18 1.60 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 2.36 2.54 0.00 79 L 8.01 3.88 0.00 1.87 1.73 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 80 C 8.35 4.16 0.00 3.11 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 81 A 8.01 3.90 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 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3.97 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 91 A 7.73 3.46 0.31 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 0.00 0.00 0.00 92 L 7.59 4.40 0.00 1.67 1.65 0.87 0.36 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 93 N 9.05 3.95 0.00 2.79 2.87 0.00 0.00 7.16 8.98 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 G 8.69 3.93 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 0.00 0.00 0.00 95 D 7.65 4.79 0.00 2.81 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 96 L 8.23 4.13 0.00 1.70 1.71 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 97 S 7.73 4.27 0.00 4.13 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 0.00 98 K 7.99 4.36 0.00 1.87 1.72 0.00 1.55 0.00 0.00 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2.98 2.90 0.00 0.00 6.71 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 0.00 124 G 8.12 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 0.00 0.00 0.00 0.00 125 A 7.84 3.96 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 0.00 126 S 8.22 4.16 0.00 3.90 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 0.00 127 N 8.59 4.37 0.00 2.79 2.87 0.00 0.00 6.68 6.29 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 0.00 128 L 7.66 3.93 0.00 1.72 1.74 0.44 0.91 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 0.00 129 I 8.02 3.66 1.84 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 1.39 0.88 0.92 0.00 0.00 130 A 8.22 4.07 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 0.00 131 T 7.74 3.85 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.47 4.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 8.14 5.16 0.00 1.81 1.75 0.00 3.20 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.71 0.00 142 A 8.73 4.93 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 0.00 143 A 8.45 5.00 1.19 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 0.00 0.00 144 V 8.93 4.55 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 0.79 0.00 0.00 1.17 0.00 0.00 145 G 8.67 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *147 A 8.47 4.46 1.31 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 0.00 0.00 0.00 148 S 7.26 4.61 0.00 3.91 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 0.00 149 L 7.50 4.78 0.00 1.90 1.57 1.10 1.00 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 0.00 150 P 0.00 4.16 0.00 2.34 1.93 0.00 3.86 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 2.13 2.07 0.00 151 F 8.78 3.58 0.00 3.24 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 0.00 152 N 8.34 4.20 0.00 3.02 2.89 0.00 0.00 7.09 8.26 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 0.00 153 A 7.92 4.52 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 0.00 154 S 8.64 4.56 0.00 3.83 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 0.00 155 V 7.60 5.05 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 0.78 0.00 0.00 1.01 0.00 0.00 156 E 9.58 5.09 0.00 2.14 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 0.00 2.44 2.51 0.00 157 I 8.95 4.94 1.85 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 1.23 0.50 0.86 0.00 0.00 158 D 8.70 5.32 0.00 3.15 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 0.00 159 A 8.42 5.07 1.14 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 0.00 160 I 8.62 4.62 1.65 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.70 0.41 0.00 0.00 161 V 8.62 4.72 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 0.78 0.00 0.00 0.86 0.00 0.00 162 E 9.44 4.85 0.00 2.01 1.86 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 2.27 2.24 0.00 163 I 8.47 5.02 1.81 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 1.36 0.82 0.85 0.00 0.00 164 D 9.15 4.56 0.00 2.46 2.49 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 * Residues marked with a * may have inaccurate shift predictions.