NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3371 8.3349 115.4091 57.6998 64.3452 173.1200 5 H 4.0792 8.4778 118.3641 55.0153 28.7133 173.3670 6 P 4.3808 0.0000 0.0000 65.0227 32.3176 176.5056 7 I 4.5754 7.4538 117.5107 58.5306 40.3482 175.9550 8 S 4.4520 8.5123 120.3730 57.8975 65.0920 175.1437 9 L 4.0095 8.4567 122.8379 57.9228 41.3354 179.7001 10 K 3.9089 8.2106 117.9257 60.0325 32.0265 179.2542 11 T 3.8780 8.0400 115.5509 66.5978 68.1762 176.7115 12 L 3.9862 7.7276 119.6026 57.9501 41.9240 179.5717 13 V 3.7895 8.1039 118.2774 66.0168 31.2657 177.8154 14 Q 4.0091 8.2047 118.6472 59.0793 28.9749 177.5681 15 E 4.2575 8.1647 117.5589 57.1145 31.4496 177.4265 16 D 4.6677 7.6370 121.0608 52.8406 37.6804 176.0566 17 D 4.3941 7.7664 122.9506 57.3449 41.6030 178.4121 18 I 3.9049 7.6968 117.0755 62.0364 37.2846 176.9731 19 G 4.0087 8.0633 108.2568 44.4287 0.0000 175.1926 20 V 3.8972 7.4981 111.4860 62.7218 32.0416 176.9732 21 N 4.6625 8.5858 117.0511 53.3681 38.5654 176.4989 22 A 4.0593 7.6144 122.8501 54.9261 18.4975 178.0404 23 P 4.2044 0.0000 0.0000 65.6268 31.3505 178.9185 24 I 3.6836 7.6397 118.1766 64.4562 37.1348 178.3926 25 I 3.4784 7.7991 120.7484 64.3774 36.8171 177.9255 26 H 3.9395 8.2498 119.3758 59.5101 29.6938 177.4349 27 Q 4.0266 8.2058 119.7261 58.7639 28.3886 178.5170 28 S 4.0548 8.2944 114.7415 61.2925 62.2854 176.4346 29 V 3.5540 7.7812 120.8977 65.9597 31.2285 177.9545 30 I 3.6399 7.6675 119.3407 64.3451 36.9709 178.2067 31 A 3.9379 8.3318 121.8155 55.2180 18.1599 179.8432 32 R 3.8910 8.2315 116.8372 59.4485 30.0831 179.3910 33 L 3.9373 8.2032 118.9516 57.9975 41.6763 179.7045 34 T 3.8062 8.0490 115.4645 66.7251 68.2356 176.6598 35 A 4.0971 8.2628 121.6628 55.0367 18.4118 179.6421 36 G 3.3175 7.9243 103.7602 47.7130 0.0000 175.7561 37 L 3.8173 7.6932 121.3528 56.8929 41.5560 178.7644 38 Y 3.9256 7.8373 119.8272 60.3694 38.7639 176.5022 39 P 4.4289 0.0000 0.0000 65.5018 31.3803 178.5431 40 L 4.0905 7.7382 119.2647 57.2373 41.4943 178.9462 41 Y 4.3701 7.6939 120.2893 60.4324 38.6566 177.8776 42 Q 3.6648 7.9226 117.9320 58.2007 28.9647 177.8715 43 S 4.3658 8.0691 113.3725 57.7826 63.2204 175.2530 44 K 3.8792 7.5107 120.6359 57.3004 29.7926 177.2512 45 K 4.1351 8.1725 121.5050 58.2211 32.2725 177.5824 46 I 4.5005 7.4052 111.1566 58.2619 40.0209 174.1022 47 P 4.4341 0.0000 0.0000 63.4122 31.9109 175.5043 48 F 5.3339 7.4099 117.8185 55.7124 41.4846 174.6461 49 E 2.7519 8.6812 124.5376 54.5803 30.6001 173.8748 50 P 4.9034 0.0000 0.0000 62.5939 32.2655 175.7409 51 L 4.9088 9.0533 124.8402 52.2167 45.2333 174.2478 52 P 4.7449 0.0000 0.0000 62.5629 32.5760 175.8873 53 E 3.9926 8.0632 120.0169 57.0586 28.0759 174.0466 54 T 4.5896 7.1594 116.5596 62.8184 70.4390 175.3532 *56 L 4.2718 8.4732 122.1354 55.6066 43.5236 176.1489 57 T 4.7355 7.8370 106.2642 60.2334 71.8431 173.3013 58 E 4.2694 8.7378 118.9826 56.7389 29.9498 177.7669 59 G 3.8245 8.0311 109.7137 45.2778 0.0000 174.2004 60 Y 3.9378 8.8105 123.0665 60.2759 38.7666 177.1341 61 S 4.6968 8.0442 110.9808 57.7445 62.5766 173.4766 62 S 4.2196 7.6692 113.9158 57.6740 62.5436 172.4675 63 P 4.3708 0.0000 0.0000 63.0040 31.6172 176.6816 64 V 4.4685 7.7165 120.2543 60.0707 31.6483 172.7023 65 P 5.0009 0.0000 0.0000 61.7607 32.3841 176.6976 66 D 4.4682 9.1024 123.0342 57.1216 41.8948 176.7970 67 V 5.0411 8.2950 117.1310 61.0583 35.4001 174.2428 68 L 5.2844 9.0130 125.6552 54.1852 44.7909 175.1535 69 L 5.0014 8.8001 120.4578 53.4502 43.8575 174.8026 70 Y 4.7703 8.7905 126.9306 56.3168 40.7651 173.9380 71 D 4.6582 8.1282 127.4329 53.0158 41.2789 176.4757 72 H 4.0599 8.8314 124.3353 58.8172 29.2405 177.5706 73 Q 4.1358 8.2532 118.0150 58.8543 28.4979 177.3515 74 T 4.2301 7.9375 104.3084 60.8541 69.5944 174.0445 75 E 4.1143 7.6542 120.1099 56.8546 27.2693 173.9259 76 E 4.8915 7.2911 115.1452 54.2529 34.1717 175.1801 77 A 4.5462 8.6258 124.8082 52.1358 19.1627 178.1935 78 K 4.0285 9.0006 122.6776 57.3486 34.1152 177.0918 79 V 5.0686 7.5330 119.0736 60.9362 35.1273 174.3279 80 I 5.1633 8.7314 120.1377 59.2562 41.3191 174.3214 81 I 5.3185 8.9721 123.9292 59.8833 41.1239 174.0205 82 E 5.0726 9.5735 126.6534 54.4951 32.4892 174.9856 83 V 4.7753 9.0279 124.5456 61.0980 33.0475 175.3696 84 C 4.5007 8.8434 126.4714 60.1233 28.9543 173.7345 85 Q 4.2663 8.4638 122.8970 55.2981 30.6226 174.5308 86 N 4.1825 8.8674 125.6363 53.4726 36.3574 174.1260 87 S 4.5862 7.4906 108.6206 55.7978 66.4694 174.3961 88 G 3.8249 8.3184 108.0569 43.9537 0.0000 174.6704 89 L 3.9316 8.2850 125.0728 57.9220 42.2948 179.7541 90 K 3.9716 7.9183 117.8959 59.5954 31.6017 178.4023 91 H 4.0200 8.2482 117.9998 59.7862 29.7341 176.8958 92 D 4.4355 8.2255 120.1554 57.3761 40.5838 179.0094 93 T 3.9434 7.8624 116.4170 66.6758 67.9609 176.9084 94 S 4.0971 8.0257 117.0434 61.3110 62.7193 177.0465 95 K 3.9812 7.6861 120.7038 59.4459 31.8522 179.4709 96 I 3.7773 7.5817 112.9947 63.8611 37.3470 178.3784 97 V 3.1514 7.7323 120.0857 65.5573 31.1905 177.9697 98 K 3.8910 7.6152 118.2387 59.3410 31.8231 178.4245 99 L 4.0429 7.5469 119.2531 58.2358 42.3558 178.8944 100 I 4.0344 7.7476 119.5961 64.5210 37.0955 178.2301 101 E 4.1932 8.4257 117.8971 58.8500 29.3724 178.4437 102 D 4.4699 8.4684 118.4675 54.6712 40.5961 177.0047 103 N 4.4379 7.8265 114.7304 53.9553 36.7068 175.2336 104 A 3.8976 7.3293 123.6137 54.2559 18.3994 178.8241 105 Y 4.6817 7.6693 109.9863 57.2515 39.4949 176.5283 106 G 3.9685 8.2826 106.8655 46.3886 0.0000 173.4527 107 I 4.1295 7.5801 120.0211 60.5265 37.6607 175.8157 108 L 4.4157 8.7383 125.9930 56.4340 43.0271 176.4046 109 E 5.0628 7.9519 118.3936 54.7926 33.3306 174.1681 110 G 4.4848 9.2696 112.5492 44.6629 0.0000 171.2628 111 F 5.6208 9.4266 119.3746 55.4632 43.6828 174.1262 112 V 5.0222 9.4494 121.4897 61.1546 34.7190 173.8651 113 F 4.7934 9.2002 130.0928 56.2137 42.2389 173.1778 114 N 4.5951 8.1896 126.0767 51.9775 39.0871 175.1538 115 Y 3.6458 7.6612 125.1333 58.7342 38.7557 177.3793 116 K 4.0837 7.6235 120.7043 58.8963 32.2745 177.8549 117 T 4.3031 7.6852 106.2743 60.5618 69.7737 174.2616 118 Q 3.3542 7.2799 120.0532 57.1008 27.2109 173.3159 119 Q 4.8837 6.9286 112.1033 54.3966 30.9578 175.3646 120 W 5.5904 8.9854 120.9957 55.0916 33.2055 174.3509 121 L 5.2429 9.4576 122.7044 53.0492 45.2230 175.4505 122 R 4.7972 9.2773 122.0749 54.6051 33.6303 173.5208 123 Y 4.9199 8.9117 125.9248 55.7606 42.5537 173.9836 124 R 4.7179 7.1150 124.2982 53.5676 33.1095 175.1463 125 L 4.1032 8.0694 125.3371 57.2949 42.2883 177.3461 126 G 3.9877 9.5023 114.3284 45.5944 0.0000 173.0461 127 D 4.6579 8.0314 119.2034 53.9515 40.7798 177.3437 128 G 3.9761 9.0464 105.4951 46.6013 0.0000 175.5077 129 G 3.6737 8.9340 106.6307 44.9523 0.0000 174.0841 130 V 4.1264 7.7107 119.2772 61.1821 32.3466 175.3448 131 A 5.0223 8.4776 129.1646 51.6792 20.3476 175.6144 132 T 4.6659 8.6858 108.6428 59.9192 73.1913 173.0930 133 N 5.2516 8.7773 120.8728 52.4172 38.0495 173.4102 134 S 4.8800 8.5057 118.1921 56.5952 65.8798 173.2478 135 S 4.1983 8.7780 118.6539 57.7979 64.3137 172.5081 136 F 4.6602 8.2367 124.2239 57.3682 40.1413 175.0085 137 S 4.8743 7.9044 122.1769 56.9030 62.4152 174.7515 138 E 4.0982 9.3069 128.5863 59.2360 29.7673 178.9313 139 V 3.7974 8.3702 117.7086 65.8193 31.6044 176.7888 140 L 4.2763 7.9644 117.0694 54.5559 42.1742 176.4996 141 Q 3.4702 7.8486 116.5987 56.6962 26.7691 173.8150 142 V 4.3762 6.4621 108.0768 59.4225 36.2805 174.7698 143 D 4.7413 8.4485 122.3059 53.5148 41.2027 177.1908 144 L 3.9723 8.0082 128.4235 57.3233 41.0167 178.8606 145 N 4.5321 7.5900 117.2091 56.2610 38.5660 176.6468 146 T 3.7855 7.1602 109.9336 63.9423 68.7553 175.4786 147 F 4.8060 7.4396 118.5349 58.0901 39.5693 176.0685 148 V 3.9818 7.4414 116.1100 61.3722 31.5550 175.6223 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 4 S 8.33 4.34 0.00 3.99 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 5 H 8.48 4.08 0.00 3.30 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.38 0.00 2.05 2.15 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 7 I 7.45 4.58 1.87 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 1.48 0.61 0.92 0.00 0.00 8 S 8.51 4.45 0.00 4.10 4.03 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 9 L 8.46 4.01 0.00 1.82 1.87 1.22 1.02 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 10 K 8.21 3.91 0.00 1.83 1.91 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.61 7.81 11 T 8.04 3.88 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 1.23 0.00 0.00 12 L 7.73 3.99 0.00 1.77 1.71 0.86 0.68 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 13 V 8.10 3.79 2.21 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 1.03 0.00 0.00 1.16 0.00 0.00 14 Q 8.20 4.01 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 15 E 8.16 4.26 0.00 2.00 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 2.33 2.47 0.00 16 D 7.64 4.67 0.00 2.93 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 17 D 7.77 4.39 0.00 2.71 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 18 I 7.70 3.90 1.87 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 1.35 0.49 0.91 0.00 0.00 19 G 8.06 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 20 V 7.50 3.90 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 0.74 0.00 0.00 0.93 0.00 0.00 21 N 8.59 4.66 0.00 2.97 2.82 0.00 0.00 6.74 6.79 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 22 A 7.61 4.06 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 23 P 0.00 4.20 0.00 2.16 2.10 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 24 I 7.64 3.68 2.11 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 1.62 0.96 0.87 0.00 0.00 25 I 7.80 3.48 1.33 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 1.27 0.97 0.15 0.00 0.00 26 H 8.25 3.94 0.00 3.29 3.44 0.00 5.59 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 27 Q 8.21 4.03 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.63 2.51 0.00 28 S 8.29 4.05 0.00 3.86 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 29 V 7.78 3.55 2.21 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 1.14 0.00 0.00 1.04 0.00 0.00 30 I 7.67 3.64 1.98 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 1.43 0.43 0.95 0.00 0.00 31 A 8.33 3.94 1.35 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 0.00 0.00 0.00 32 R 8.23 3.89 0.00 2.02 2.21 0.00 3.07 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 33 L 8.20 3.94 0.00 1.80 1.71 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.05 3.81 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 1.18 0.00 0.00 35 A 8.26 4.10 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 36 G 7.92 3.32 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 0.00 37 L 7.69 3.82 0.00 1.61 1.60 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.84 3.93 0.00 3.28 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 39 P 0.00 4.43 0.00 2.23 2.13 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 40 L 7.74 4.09 0.00 1.79 1.73 1.05 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.69 4.37 0.00 2.96 2.80 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 42 Q 7.92 3.66 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 43 S 8.07 4.37 0.00 4.01 4.06 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 44 K 7.51 3.88 0.00 1.88 1.89 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.44 7.81 45 K 8.17 4.14 0.00 1.82 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 46 I 7.41 4.50 1.83 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 1.44 1.33 0.90 0.00 0.00 47 P 0.00 4.43 0.00 1.62 1.88 0.00 3.11 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.38 0.00 48 F 7.41 5.33 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.68 2.75 0.00 1.16 1.65 0.00 0.00 0.00 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 1.72 0.00 50 P 0.00 4.90 0.00 2.11 1.98 0.00 3.21 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 51 L 9.05 4.91 0.00 1.47 1.44 0.64 0.82 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 52 P 0.00 4.74 0.00 2.05 2.01 0.00 3.88 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 53 E 8.06 3.99 0.00 2.03 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 0.00 2.27 2.22 0.00 54 T 7.16 4.59 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 1.01 0.00 0.00 *56 L 8.47 4.27 0.00 1.24 1.35 -0.03 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.84 4.74 4.32 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 1.44 0.00 0.00 58 E 8.74 4.27 0.00 2.01 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 2.32 2.26 0.00 59 G 8.03 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 60 Y 8.81 3.94 0.00 2.94 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 61 S 8.04 4.70 0.00 4.03 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 62 S 7.67 4.22 0.00 3.99 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 63 P 0.00 4.37 0.00 1.86 1.88 0.00 3.52 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.06 0.00 64 V 7.72 4.47 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 0.77 0.00 0.00 0.92 0.00 0.00 65 P 0.00 5.00 0.00 2.10 1.96 0.00 4.10 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.89 0.00 66 D 9.10 4.47 0.00 2.88 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 67 V 8.30 5.04 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 1.10 0.00 0.00 0.94 0.00 0.00 68 L 9.01 5.28 0.00 1.86 1.68 0.98 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.80 5.00 0.00 1.54 1.70 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.79 4.77 0.00 2.92 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 71 D 8.13 4.66 0.00 2.44 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.83 4.06 0.00 3.27 3.45 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.25 4.14 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 74 T 7.94 4.23 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 1.26 0.00 0.00 75 E 7.65 4.11 0.00 2.20 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 2.34 2.24 0.00 76 E 7.29 4.89 0.00 1.75 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 2.32 2.46 0.00 77 A 8.63 4.55 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 78 K 9.00 4.03 0.00 0.88 1.43 0.00 1.36 0.00 0.00 1.26 0.00 0.00 2.60 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.42 0.21 7.81 79 V 7.53 5.07 2.14 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 1.39 0.00 0.00 0.99 0.00 0.00 80 I 8.73 5.16 1.92 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 1.29 0.72 0.92 0.00 0.00 81 I 8.97 5.32 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.13 1.15 0.00 0.00 82 E 9.57 5.07 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 83 V 9.03 4.78 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 0.96 0.00 0.00 0.98 0.00 0.00 84 C 8.84 4.50 0.00 2.64 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 85 Q 8.46 4.27 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 86 N 8.87 4.18 0.00 2.84 2.81 0.00 0.00 6.95 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 87 S 7.49 4.59 0.00 3.90 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 88 G 8.32 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 89 L 8.29 3.93 0.00 1.68 1.63 0.94 0.40 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 90 K 7.92 3.97 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.49 7.81 91 H 8.25 4.02 0.00 3.22 3.45 0.00 5.87 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 92 D 8.23 4.44 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 93 T 7.86 3.94 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 1.23 0.00 0.00 94 S 8.03 4.10 0.00 3.96 3.84 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 95 K 7.69 3.98 0.00 2.00 1.83 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.47 7.81 96 I 7.58 3.78 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 1.01 0.00 0.00 97 V 7.73 3.15 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 0.32 0.00 0.00 0.45 0.00 0.00 98 K 7.62 3.89 0.00 1.85 1.91 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.42 7.81 99 L 7.55 4.04 0.00 1.86 1.87 1.08 1.43 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 0.00 100 I 7.75 4.03 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.07 1.10 0.00 0.00 101 E 8.43 4.19 0.00 1.97 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 0.00 2.55 2.51 0.00 102 D 8.47 4.47 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 103 N 7.83 4.44 0.00 2.89 2.89 0.00 0.00 6.93 6.66 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 0.00 104 A 7.33 3.90 0.42 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 0.00 105 Y 7.67 4.68 0.00 2.99 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 0.00 106 G 8.28 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 0.00 0.00 0.00 107 I 7.58 4.13 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.97 0.00 0.00 108 L 8.74 4.42 0.00 1.68 1.69 0.92 0.86 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 0.00 109 E 7.95 5.06 0.00 1.98 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 2.14 2.17 0.00 110 G 9.27 4.48 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 0.00 111 F 9.43 5.62 0.00 3.34 3.52 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 0.00 112 V 9.45 5.02 2.18 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 1.11 0.00 0.00 1.04 0.00 0.00 113 F 9.20 4.79 0.00 1.51 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 0.00 0.00 0.00 0.00 114 N 8.19 4.60 0.00 2.53 2.34 0.00 0.00 6.54 8.38 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 0.00 115 Y 7.66 3.65 0.00 3.01 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 0.00 116 K 7.62 4.08 0.00 1.66 1.77 0.00 1.44 0.00 0.00 1.51 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 0.69 7.81 117 T 7.69 4.30 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 1.12 0.00 0.00 118 Q 7.28 3.35 0.00 2.32 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 119 Q 6.93 4.88 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.44 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 120 W 8.99 5.59 0.00 3.42 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 0.00 121 L 9.46 5.24 0.00 1.67 1.62 0.97 0.82 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 0.00 122 R 9.28 4.80 0.00 1.97 1.68 0.00 3.00 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 123 Y 8.91 4.92 0.00 3.03 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 0.00 124 R 7.12 4.72 0.00 1.61 1.58 0.00 3.15 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.36 0.00 125 L 8.07 4.10 0.00 1.59 1.58 1.03 1.04 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 0.00 126 G 9.50 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 0.00 127 D 8.03 4.66 0.00 2.58 2.66 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 0.00 0.00 0.00 0.00 128 G 9.05 3.98 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 0.00 0.00 0.00 129 G 8.93 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.71 4.13 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 0.84 0.00 0.00 1.02 0.00 0.00 131 A 8.48 5.02 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 0.00 132 T 8.69 4.67 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 1.25 0.00 0.00 133 N 8.78 5.25 0.00 2.82 2.88 0.00 0.00 7.05 7.63 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 0.00 134 S 8.51 4.88 0.00 3.96 3.77 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 0.00 0.00 0.00 135 S 8.78 4.20 0.00 2.72 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 0.00 136 F 8.24 4.66 0.00 3.03 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 0.00 137 S 7.90 4.87 0.00 3.77 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 9.31 4.10 0.00 2.18 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 2.63 2.51 0.00 139 V 8.37 3.80 2.28 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 1.01 0.00 0.00 1.02 0.00 0.00 140 L 7.96 4.28 0.00 1.56 1.68 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 7.85 3.47 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 142 V 6.46 4.38 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 0.83 0.00 0.00 0.90 0.00 0.00 143 D 8.45 4.74 0.00 2.87 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 0.00 144 L 8.01 3.97 0.00 0.54 1.32 -0.27 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 145 N 7.59 4.53 0.00 2.53 2.77 0.00 0.00 6.79 7.24 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 0.00 146 T 7.16 3.79 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 1.04 0.00 0.00 147 F 7.44 4.81 0.00 3.10 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 0.00 148 V 7.44 3.98 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 0.54 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.