NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5434 8.2893 120.3372 55.5197 33.3675 174.0608 2 S 4.5323 8.3639 112.7716 58.3522 64.0276 172.8228 3 K 4.4585 8.8360 120.9481 56.8524 34.3215 178.2496 4 K 4.7575 8.4859 122.3684 56.1416 34.1752 176.1787 5 V 4.8340 9.0874 122.1437 61.3092 35.2472 173.5877 6 L 5.0299 8.7473 130.1264 53.5970 43.8343 174.5518 7 L 5.0242 8.8551 128.6996 53.4376 44.3938 175.0846 8 V 4.5287 9.1632 128.8738 61.6424 33.3123 174.0484 9 D 5.4809 8.6715 126.4721 54.1105 44.3348 175.1465 10 D 4.7088 8.9393 123.6404 53.8676 39.7330 175.8062 11 S 4.4338 8.4264 116.6328 56.9673 62.4946 174.0275 12 A 3.9696 8.7046 130.4260 55.5469 17.9212 178.7968 13 V 3.4892 7.8585 115.7432 66.3798 31.4558 177.7648 14 L 4.2026 7.8494 119.0598 57.5175 41.9515 179.0632 15 R 3.8702 8.3582 118.8238 59.1606 30.0772 178.5899 16 K 3.9589 8.2635 119.5890 59.6471 32.1691 178.2190 17 I 3.9953 7.5218 116.9215 63.1917 38.0448 178.0099 18 V 3.6657 7.8468 119.4722 65.8827 31.3835 177.6907 19 S 4.1224 8.6861 113.2532 61.4939 62.2638 175.5035 20 F 3.9100 8.3136 123.1428 61.8170 38.8613 177.0123 21 N 4.5707 8.2633 113.9462 56.3506 38.6864 177.1379 22 L 4.3063 8.7579 120.5756 58.0619 41.9016 179.8151 23 K 4.1323 8.4988 119.8361 58.4249 31.7419 178.7604 24 K 3.8922 7.5972 118.3388 57.9440 32.1042 177.0840 25 E 4.3731 7.7305 115.8004 55.3566 31.0223 175.6206 26 G 4.1120 8.0885 110.7427 46.6182 0.0000 174.2362 27 Y 4.9592 6.8077 116.5647 57.0468 38.6753 175.4544 28 E 4.7994 8.7125 124.1260 55.2424 32.1639 174.8520 29 V 5.5732 8.0531 115.6186 58.7500 35.9396 174.9094 30 I 4.4801 8.3216 124.6420 59.5561 39.5225 175.2946 31 E 4.7921 8.9084 126.4290 56.4193 31.1311 176.7678 32 A 4.3201 8.0832 120.4906 51.6015 21.7929 177.1915 33 E 4.1576 9.0690 124.1694 58.7932 30.3849 175.4852 34 N 4.8461 7.5815 114.1714 51.1674 39.7683 174.8788 35 G 3.5673 8.1255 103.4674 48.4274 0.0000 175.1981 36 Q 4.1380 8.1856 120.6592 58.9164 28.8835 179.2673 37 I 3.6629 8.2667 119.9579 64.6154 37.0108 178.1049 38 A 3.9386 7.9323 120.5255 55.0497 18.2053 178.9536 39 L 4.1864 7.8393 116.7540 56.6700 42.1893 178.2123 40 E 4.4725 7.9170 113.4379 56.8151 29.6319 176.9592 41 K 4.6256 7.6572 116.7690 56.4210 32.5788 176.5023 42 L 4.3141 8.0138 120.6854 55.0484 43.8673 178.9649 43 S 4.0694 8.1515 111.9987 60.9501 63.3508 175.6243 44 E 4.1723 8.3512 120.5093 58.8229 29.3334 176.2912 45 F 4.9307 7.4228 109.8795 55.9577 41.0809 173.0180 46 T 4.2453 8.4139 110.5774 59.1228 69.9444 172.5085 47 P 4.8377 0.0000 0.0000 62.4032 32.1655 176.0314 48 D 4.6754 8.1049 118.8299 55.8890 41.7351 176.6472 49 L 4.5532 7.5456 118.9685 53.9867 45.6639 173.3590 50 I 4.9487 8.4391 126.6067 59.4956 40.1715 174.5959 51 V 4.7656 8.8743 126.6730 61.1104 33.7399 174.0316 52 L 5.2086 9.1700 130.2659 53.2619 45.8575 175.0277 53 D 5.1567 8.2278 124.4324 51.3071 42.6143 177.0446 54 I 3.6270 8.0802 118.3444 63.9567 38.0708 176.2920 55 M 4.4799 7.7584 120.7197 55.1232 32.5078 175.6819 56 M 4.4814 7.9745 118.2521 53.8798 33.4578 172.8634 57 P 4.3105 0.0000 0.0000 66.0118 31.8001 178.3544 58 V 3.7555 7.6669 116.8553 65.7450 32.1851 176.2472 59 M 4.4484 7.4758 116.4536 53.3484 34.9287 173.6464 60 D 4.8259 8.4806 126.3675 52.7483 42.4299 177.2775 61 G 3.7498 8.2378 106.9161 45.5351 0.0000 176.1424 62 F 4.5270 8.6070 120.7481 61.0152 39.2358 177.1765 63 T 4.0179 8.4115 109.1360 64.6488 68.5482 176.5219 64 V 3.4837 7.6507 121.8640 65.1565 31.2268 178.1817 65 L 3.9886 7.9435 118.5533 57.6795 41.2671 179.2062 66 K 3.9153 8.2240 118.6765 59.8444 32.2115 178.6496 67 K 4.2723 8.0663 117.9084 59.2852 32.1578 179.2778 68 L 4.4133 7.9180 119.7838 57.4676 41.3776 178.1662 69 Q 4.4514 7.8557 117.1765 55.8486 28.7033 175.9153 70 E 4.7746 7.8250 114.2403 55.8826 30.2546 175.5161 71 K 4.4987 7.5689 118.0700 54.7814 35.0753 176.8820 72 E 3.9771 8.3440 121.7661 59.1362 29.9369 178.0407 73 E 4.1414 7.9328 116.7100 59.2203 29.9338 178.3167 74 W 4.5532 8.1401 118.3368 59.4084 29.6284 178.3442 75 K 4.0577 7.7219 118.8753 59.4964 31.6059 177.1374 76 R 4.2397 7.8665 114.7068 56.5299 30.6501 176.0852 77 I 4.0928 7.8040 113.1805 59.4966 38.0486 174.3037 78 P 4.4401 0.0000 0.0000 62.2926 32.6727 175.5247 79 V 4.7993 8.3558 123.2196 61.2160 34.3559 173.9540 80 I 4.6674 8.6765 129.0079 59.9382 39.0722 174.6524 81 V 4.6060 8.8175 127.7802 61.5388 33.3001 174.6568 82 L 5.3655 9.1607 128.2885 52.5315 42.8810 175.0311 83 T 4.6220 8.0322 117.6795 59.7023 70.4560 174.5548 84 A 4.0697 8.7008 128.4144 54.1205 18.6988 178.2785 85 K 4.2679 7.8807 115.7880 55.6427 30.7536 176.9851 86 G 3.7946 8.4475 112.2519 45.3345 0.0000 172.1168 87 G 3.7402 8.1208 109.7870 46.3705 0.0000 173.9475 88 E 4.4025 8.9405 122.5012 57.0833 29.4450 177.6309 89 E 4.5027 7.9359 119.6468 57.6988 30.8530 177.4995 90 D 4.4931 8.2712 119.9328 57.1545 40.7257 178.5562 91 E 4.0090 8.1023 119.3577 59.2135 29.8301 178.3645 92 S 4.1033 8.0863 114.7154 61.8696 63.0122 176.1886 93 L 3.8464 8.5763 122.7260 58.3924 41.6139 179.0501 94 A 4.1580 7.7526 120.2948 54.9883 18.3971 179.6991 95 L 4.3185 8.4362 119.2321 57.4597 41.5413 179.7651 96 S 4.1587 7.9917 113.0682 61.3600 62.9372 175.6432 97 L 4.2651 7.5436 120.3255 55.2151 41.7777 176.0421 98 G 3.9573 7.9322 109.1023 45.9359 0.0000 175.2506 99 A 4.1077 8.1434 124.0750 52.2728 18.8141 178.5437 100 R 4.0887 8.5315 121.4283 58.7165 31.0603 176.9838 101 K 4.6130 8.0853 119.0845 54.9476 36.1810 174.7722 102 V 4.8573 8.4497 126.0982 61.3452 34.0898 174.2257 103 M 4.7939 9.4864 128.4380 53.1946 34.5928 175.3849 104 R 4.4825 8.8286 124.5087 56.4544 31.2180 175.4263 105 K 4.9582 8.3969 124.8388 54.0272 33.9623 174.8960 106 P 4.5171 0.0000 0.0000 62.3489 32.0522 175.5615 107 F 5.0060 7.8438 115.0091 54.5520 41.0105 174.9034 108 S 4.3980 8.5400 115.9531 56.9120 63.3842 173.0197 109 P 4.6637 0.0000 0.0000 65.8339 31.0492 178.8251 110 S 4.2075 8.0935 112.5963 61.7105 63.1780 176.3201 111 Q 4.0691 8.1965 122.2785 58.3379 28.4531 178.5798 112 F 4.2596 8.6194 121.6289 61.5505 39.3616 177.1724 113 I 3.4371 7.9546 119.1857 64.4697 36.8286 177.9675 114 E 3.4506 8.5520 120.3664 59.0585 29.3260 178.5665 115 E 4.0014 8.4399 119.6778 58.9905 29.7040 178.3939 116 V 3.3526 7.6299 117.1769 65.8208 31.6110 177.5112 117 K 4.0283 8.8836 120.3732 59.9515 31.8875 177.9029 118 H 4.0673 7.6840 117.3310 59.6551 29.7277 176.5691 119 L 4.1851 7.6731 118.9907 56.9259 41.6771 178.7557 120 L 4.1410 7.9008 118.6665 56.0131 42.1693 176.9951 121 N 4.8958 7.8830 116.4406 52.1571 37.7824 174.4129 122 E 4.0920 8.0542 123.7320 57.6031 29.7404 175.7892 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 8.29 4.54 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 2 S 8.36 4.53 0.00 4.08 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 3 K 8.84 4.46 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.47 7.81 4 K 8.49 4.76 0.00 1.85 1.74 0.00 1.73 0.00 0.00 1.28 0.00 0.00 2.66 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.57 7.81 5 V 9.09 4.83 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 0.78 0.00 0.00 6 L 8.75 5.03 0.00 1.91 1.49 0.99 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.86 5.02 0.00 1.78 1.52 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 8 V 9.16 4.53 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 0.82 0.00 0.00 0.86 0.00 0.00 9 D 8.67 5.48 0.00 2.66 2.45 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 0.00 0.00 0.00 0.00 10 D 8.94 4.71 0.00 2.81 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 11 S 8.43 4.43 0.00 3.87 3.85 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 12 A 8.70 3.97 1.33 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 0.00 0.00 0.00 13 V 7.86 3.49 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 1.01 0.00 0.00 0.92 0.00 0.00 14 L 7.85 4.20 0.00 1.80 1.64 0.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 R 8.36 3.87 0.00 2.08 2.08 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 16 K 8.26 3.96 0.00 1.94 1.98 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.51 7.81 17 I 7.52 4.00 1.86 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 1.36 1.11 1.02 0.00 0.00 18 V 7.85 3.67 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 0.92 0.00 0.00 0.78 0.00 0.00 19 S 8.69 4.12 0.00 4.10 4.08 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 0.00 0.00 0.00 20 F 8.31 3.91 0.00 3.40 3.28 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 21 N 8.26 4.57 0.00 3.28 3.14 0.00 0.00 7.17 7.49 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 22 L 8.76 4.31 0.00 2.18 1.86 1.16 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.50 4.13 0.00 1.57 1.73 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.73 1.44 7.81 24 K 7.60 3.89 0.00 1.52 1.90 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.41 7.81 25 E 7.73 4.37 0.00 1.34 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 2.07 2.29 0.00 26 G 8.09 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 27 Y 6.81 4.96 0.00 3.03 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 28 E 8.71 4.80 0.00 2.09 1.77 0.00 0.00 0.00 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 2.36 0.00 29 V 8.05 5.57 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 1.00 0.00 0.00 0.97 0.00 0.00 30 I 8.32 4.48 2.06 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 1.15 0.50 1.00 0.00 0.00 31 E 8.91 4.79 0.00 1.87 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 2.34 2.34 0.00 32 A 8.08 4.32 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 33 E 9.07 4.16 0.00 2.01 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 2.36 2.29 0.00 34 N 7.58 4.85 0.00 2.92 2.88 0.00 0.00 6.15 6.93 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 35 G 8.13 3.57 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 0.00 0.00 0.00 36 Q 8.19 4.14 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 37 I 8.27 3.66 1.86 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 1.76 1.39 0.91 0.00 0.00 38 A 7.93 3.94 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 39 L 7.84 4.19 0.00 1.70 1.72 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.92 4.47 0.00 2.14 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 0.00 2.25 2.56 0.00 41 K 7.66 4.63 0.00 1.86 1.91 0.00 1.87 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.40 1.49 7.81 42 L 8.01 4.31 0.00 1.55 1.33 0.04 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.15 4.07 0.00 4.05 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 44 E 8.35 4.17 0.00 2.26 2.23 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 2.40 2.35 0.00 45 F 7.42 4.93 0.00 2.99 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 46 T 8.41 4.25 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 1.31 0.00 0.00 47 P 0.00 4.84 0.00 2.02 2.16 0.00 3.40 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.39 0.00 48 D 8.10 4.68 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.55 4.55 0.00 1.60 1.32 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.44 4.95 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.55 0.82 0.00 0.00 51 V 8.87 4.77 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 0.95 0.00 0.00 1.13 0.00 0.00 52 L 9.17 5.21 0.00 1.65 1.37 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.23 5.16 0.00 2.77 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 54 I 8.08 3.63 1.61 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.39 0.20 0.00 0.00 55 M 7.76 4.48 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 56 M 7.97 4.48 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 57 P 0.00 4.31 0.00 2.05 2.13 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 58 V 7.67 3.76 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 59 M 7.48 4.45 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 60 D 8.48 4.83 0.00 3.00 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 61 G 8.24 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 0.00 0.00 0.00 62 F 8.61 4.53 0.00 3.28 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 63 T 8.41 4.02 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 1.27 0.00 0.00 64 V 7.65 3.48 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 0.92 0.00 0.00 0.95 0.00 0.00 65 L 7.94 3.99 0.00 2.12 1.94 1.00 0.80 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 66 K 8.22 3.92 0.00 1.96 1.97 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.53 7.81 67 K 8.07 4.27 0.00 2.07 2.06 0.00 1.79 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.61 1.77 7.81 68 L 7.92 4.41 0.00 1.69 1.78 0.80 0.46 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 69 Q 7.86 4.45 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 70 E 7.83 4.77 0.00 2.03 1.99 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 2.31 2.48 0.00 71 K 7.57 4.50 0.00 1.72 1.42 0.00 0.77 0.00 0.00 1.19 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.71 7.81 72 E 8.34 3.98 0.00 1.86 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 2.26 2.28 0.00 73 E 7.93 4.14 0.00 1.90 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 2.17 2.26 0.00 74 W 8.14 4.55 0.00 3.49 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 75 K 7.72 4.06 0.00 2.01 1.90 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.49 1.50 7.81 76 R 7.87 4.24 0.00 1.84 1.97 0.00 3.32 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 77 I 7.80 4.09 1.83 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 1.50 0.48 1.01 0.00 0.00 78 P 0.00 4.44 0.00 2.05 1.97 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 79 V 8.36 4.80 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 1.03 0.00 0.00 0.95 0.00 0.00 80 I 8.68 4.67 1.94 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 1.08 0.44 1.00 0.00 0.00 81 V 8.82 4.61 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 0.91 0.00 0.00 0.91 0.00 0.00 82 L 9.16 5.37 0.00 1.37 1.34 -0.26 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.03 4.62 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 1.27 0.00 0.00 84 A 8.70 4.07 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 85 K 7.88 4.27 0.00 1.79 1.86 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.45 7.81 86 G 8.45 3.79 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 0.00 0.00 0.00 87 G 8.12 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 88 E 8.94 4.40 0.00 1.94 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 2.56 0.00 89 E 7.94 4.50 0.00 2.16 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 0.00 2.27 2.37 0.00 90 D 8.27 4.49 0.00 3.01 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 91 E 8.10 4.01 0.00 2.06 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 2.40 2.42 0.00 92 S 8.09 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 93 L 8.58 3.85 0.00 1.67 1.88 0.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.75 4.16 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 95 L 8.44 4.32 0.00 1.82 1.73 0.93 0.64 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 96 S 7.99 4.16 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.54 4.27 0.00 2.03 1.92 0.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.93 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 99 A 8.14 4.11 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 0.00 100 R 8.53 4.09 0.00 1.82 1.98 0.00 3.21 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 101 K 8.09 4.61 0.00 1.77 1.57 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.44 7.81 102 V 8.45 4.86 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 0.90 0.00 0.00 0.96 0.00 0.00 103 M 9.49 4.79 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 104 R 8.83 4.48 0.00 1.86 1.88 0.00 3.24 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 105 K 8.40 4.96 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.51 7.81 106 P 0.00 4.52 0.00 2.00 1.90 0.00 3.63 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 2.01 2.06 0.00 107 F 7.84 5.01 0.00 3.13 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 0.00 108 S 8.54 4.40 0.00 3.93 3.85 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 0.00 109 P 0.00 4.66 0.00 2.30 2.34 0.00 3.59 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 2.07 2.03 0.00 110 S 8.09 4.21 0.00 4.11 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 0.00 111 Q 8.20 4.07 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 112 F 8.62 4.26 0.00 3.26 3.50 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 0.00 113 I 7.95 3.44 2.09 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.10 0.96 0.00 0.00 114 E 8.55 3.45 0.00 2.17 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 0.00 2.33 2.34 0.00 115 E 8.44 4.00 0.00 2.25 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 2.30 2.32 0.00 116 V 7.63 3.35 1.85 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 0.61 0.00 0.00 -0.07 0.00 0.00 117 K 8.88 4.03 0.00 1.99 1.80 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 118 H 7.68 4.07 0.00 3.32 3.40 0.00 5.80 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.67 4.19 0.00 1.60 1.64 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.90 4.14 0.00 1.69 1.61 0.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.88 4.90 0.00 2.83 2.89 0.00 0.00 5.98 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 0.00 122 E 8.05 4.09 0.00 2.16 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 2.27 0.00