NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4925 8.1633 120.6181 54.5274 32.8068 173.3469 2 K 3.9038 8.2713 122.6708 56.6253 33.5837 170.3592 3 V 4.6605 9.8915 117.6901 60.3024 37.7120 173.3589 4 I 4.7867 9.1308 122.4714 59.4257 40.3585 176.1169 5 L 4.5689 8.6264 127.2850 55.2227 42.6693 177.7483 6 L 4.5942 8.2801 114.9763 55.0042 46.4185 175.0666 7 E 4.9168 7.7266 116.5148 53.5333 35.2415 174.3617 8 P 4.6789 0.0000 0.0000 61.7236 30.3627 178.3674 9 L 4.2541 9.4739 116.8167 54.5930 41.3624 173.1923 10 E 4.0906 9.0290 123.2167 57.6479 29.9902 176.2240 11 N 4.5463 8.4941 117.2483 52.1501 36.2846 174.6076 12 L 5.7802 6.6221 133.2917 56.9638 43.0182 174.4133 13 G 4.3619 7.4535 108.0447 45.9688 0.0000 172.6315 14 D 4.4498 8.4135 119.7688 54.7325 40.2444 175.8984 15 V 3.4528 7.7294 123.0528 60.8238 34.3632 177.8661 16 G 3.6376 7.9690 111.3078 44.7519 0.0000 176.1613 17 Q 3.1446 8.9623 124.1611 56.4810 27.0231 173.3661 18 V 4.7920 8.3688 124.8254 62.8906 32.6915 175.3513 19 V 4.5054 7.9820 121.9264 60.9255 34.0699 171.2369 20 D 5.2708 8.7556 122.5049 52.8188 40.8746 175.9789 21 V 4.6315 8.0698 113.4862 59.2870 36.3646 175.0258 22 K 3.7638 9.0487 122.3431 57.1624 32.4593 175.5318 23 P 4.3152 0.0000 0.0000 65.9502 31.3622 178.3757 24 G 3.9371 8.3767 103.7497 48.2616 0.0000 174.6235 25 Y 4.3723 8.4081 121.5000 61.2131 38.9489 177.2504 26 A 3.8635 8.2368 121.1745 55.1349 18.2309 179.2123 27 R 3.9008 8.1302 116.7621 58.6513 30.5781 177.6795 28 N 4.8938 7.9923 112.0662 52.9741 40.7828 173.9058 29 Y 4.4450 7.9755 116.7838 57.0663 41.1354 177.5418 30 L 3.6775 8.3606 119.4986 57.9854 43.0592 179.5921 31 L 4.3126 7.9990 119.7752 56.9774 41.3588 177.8610 32 P 4.2842 0.0000 0.0000 65.4243 31.5515 178.0674 33 R 4.2451 7.9499 115.2556 55.2934 29.9649 177.5332 34 G 3.9172 8.0955 105.5764 46.4914 0.0000 175.1991 35 L 4.1352 7.9055 118.3310 56.0130 41.4767 176.7038 36 A 4.4714 7.5571 119.8926 51.6579 23.3220 175.4524 37 V 4.4228 8.7157 119.2371 60.5100 35.8833 174.7153 38 L 4.2868 8.6100 123.9865 54.7116 41.9470 178.0124 39 A 4.5060 8.0480 128.8084 51.9860 17.5777 177.6576 40 T 4.0628 7.9304 110.0211 62.4765 69.8916 175.0502 41 E 3.9519 8.7405 121.6606 59.5734 29.5738 179.1113 42 S 4.2238 8.0882 112.5423 61.8980 62.4903 176.0494 43 N 4.3948 8.1640 118.7745 56.0276 38.2192 177.2106 44 L 4.0777 8.5299 121.9496 57.0259 41.9263 177.9988 45 K 4.3193 7.5182 115.5239 56.5913 32.8738 177.3212 46 A 4.3027 7.8226 121.7049 53.9515 18.9005 179.6776 47 L 4.0223 7.7056 117.3835 57.8728 41.7364 179.0696 48 E 4.2056 7.4835 112.3120 57.0768 29.1236 177.2841 49 A 4.5497 7.5853 119.9624 54.0267 20.9441 179.4113 50 R 3.8494 7.6966 115.9974 59.5310 30.0583 179.2074 51 I 3.7223 8.2457 119.7962 64.7946 37.0900 178.3952 52 R 3.9751 8.1223 117.9789 59.8490 29.9753 178.6562 53 A 3.6850 8.4332 118.2665 55.2570 18.5826 179.1589 54 Q 3.8695 8.4548 113.8130 59.2781 28.9840 179.7252 55 A 4.0813 7.6443 120.8423 55.4628 18.6896 179.6758 56 K 4.0852 8.5987 117.0422 59.6479 32.1976 179.8619 57 R 3.9825 8.2861 118.6813 59.1567 29.7438 178.5002 58 L 4.4903 8.2035 115.6211 54.9504 41.7762 177.4499 59 A 4.6479 7.8729 122.2811 51.4788 21.0376 178.6628 60 E 4.1845 7.8941 114.5071 58.2652 30.1828 178.6370 61 R 3.9741 8.4565 118.8184 59.0022 30.0853 179.0830 62 K 4.0529 7.9299 117.7412 59.4213 31.9917 178.0158 63 A 4.0569 7.5684 119.6992 53.9783 18.2417 178.6954 64 E 4.0196 7.9444 115.3040 58.7574 30.2679 179.4432 65 A 4.0126 7.5372 118.8947 55.3219 18.2237 178.9152 66 E 4.1462 8.5676 115.8338 57.8247 29.6534 178.4708 67 R 4.5178 7.8727 119.1601 58.8073 30.2434 178.5260 68 L 4.1340 8.0243 119.3461 57.4295 41.3938 179.3837 69 K 3.9860 7.8580 117.3533 59.3105 32.1396 178.8302 70 E 4.1191 7.7447 117.5359 59.5386 29.4359 179.0708 71 I 3.7929 8.0593 120.1751 64.1713 37.1302 180.6927 72 L 4.4087 8.3519 120.3150 54.9728 40.4771 177.8206 73 E 4.5390 8.8696 117.1243 56.3704 30.9421 176.7799 74 N 4.8318 7.6387 118.0141 52.0790 38.5185 176.3315 75 L 4.3006 7.5027 118.4191 56.7761 39.5756 179.5651 76 T 4.5515 7.3847 115.7120 62.2649 68.6027 173.2904 77 L 5.6939 7.9434 122.6215 53.1108 43.5364 176.7138 78 T 5.4598 8.6883 113.4892 58.8242 70.9019 173.0752 79 I 4.6090 8.2562 126.4286 58.4866 39.7686 173.0882 80 P 4.3377 0.0000 0.0000 62.3836 33.2145 174.1639 81 V 4.2417 8.8649 115.7560 62.7989 30.3245 177.4499 82 R 3.7218 9.4414 112.6279 56.5166 28.1748 172.1709 83 A 5.0278 7.5183 119.0972 51.8044 23.8666 175.9387 84 G 4.0392 8.0714 105.3651 46.3170 0.0000 175.2430 85 E 4.4012 9.3116 122.2132 57.7002 30.2330 175.7850 86 T 4.4676 7.0676 113.6384 64.2374 73.4976 173.0313 87 K 3.9124 7.8583 123.2285 56.8814 32.3536 176.7621 88 I 4.0938 8.3658 126.0101 61.0152 36.5922 176.5115 89 Y 4.2221 8.7101 124.8984 60.5503 38.9225 178.3947 90 G 4.1736 7.1172 107.4151 44.6610 0.0000 174.2907 91 S 4.6717 7.9695 118.6019 57.5916 65.2856 174.0871 92 V 4.7880 8.9985 123.3369 61.5131 34.7720 174.6050 93 T 4.8122 8.4796 115.1439 59.6552 72.3831 173.5324 94 A 3.8901 8.9982 121.3032 56.5072 18.0366 179.2548 95 K 3.6742 8.2640 114.0567 60.7402 31.9544 178.4592 96 D 4.3189 8.3168 115.7306 58.4825 40.9486 179.4970 97 I 3.3010 8.9357 115.1876 64.8725 37.2322 178.5095 98 A 3.9522 7.4517 126.0936 55.3682 19.4476 179.2880 99 E 3.9972 9.1455 118.6676 59.2899 29.3310 178.2385 100 A 4.0205 9.7487 120.9836 55.5329 18.3279 179.7290 101 L 4.0843 8.1541 117.8383 58.6538 40.1916 178.5508 102 S 4.6435 7.8406 112.2309 58.5979 62.6370 174.6361 103 R 4.4207 8.1264 118.8806 57.3672 32.5148 176.7368 104 Q 4.0562 7.3313 116.4114 58.8759 28.6202 177.9922 105 H 4.4199 7.6170 118.0119 55.6041 29.7689 176.3992 106 G 4.1502 7.9397 121.8850 46.2457 0.0000 171.9223 107 I 3.5652 7.4268 120.4135 61.6648 37.6276 174.4574 108 T 4.4454 8.2814 123.0649 60.5378 68.3436 173.5431 109 I 4.7326 7.9077 120.4626 59.2290 41.0564 173.3580 110 D 4.6832 8.3610 120.4319 52.1886 41.3962 173.6826 111 P 4.3086 0.0000 0.0000 65.8852 31.4027 178.6646 112 K 3.9289 7.6758 119.9976 58.1724 32.3609 177.0972 113 R 4.2540 7.6324 119.5851 55.1364 29.7578 177.2247 114 L 4.4738 7.2728 118.5688 53.3287 42.8298 173.4273 115 A 3.6977 7.1907 125.3646 50.3594 16.3690 175.2876 116 L 4.5387 7.1989 116.9574 54.8646 44.0323 173.1853 117 E 4.3995 8.7960 123.8067 55.8329 31.3170 176.2790 118 K 4.1585 7.8318 120.5543 54.1090 31.1554 173.2838 119 P 4.0993 0.0000 0.0000 62.5511 31.9922 175.7371 120 I 3.6389 8.3120 125.2829 60.8762 38.7995 174.6191 121 K 4.6680 8.1679 130.9221 53.1553 31.9401 175.0480 122 E 4.9550 7.3699 121.5663 55.8065 34.0826 174.6623 123 L 4.8497 8.4107 118.2516 53.9119 45.6505 176.6943 124 G 3.7376 7.3757 108.3714 43.7589 0.0000 171.5658 125 E 5.2635 8.2677 117.6690 54.8252 32.0364 175.0556 126 Y 4.6718 10.0769 121.6966 56.0518 41.7214 175.0140 127 V 4.4461 8.5244 124.1732 62.0298 31.7545 175.4211 128 L 4.4740 8.9762 130.6001 54.8105 44.7831 176.5070 129 T 5.2369 8.2892 115.4929 62.9841 71.4288 171.6028 130 Y 4.3868 8.5739 127.8099 56.1783 40.8338 174.2804 131 K 4.6691 7.6918 126.7933 54.6429 31.7514 174.9360 132 P 4.6285 0.0000 0.0000 65.0346 31.9997 176.7188 133 H 4.9568 7.7864 116.5754 53.9146 32.6974 172.7417 134 P 4.0224 0.0000 0.0000 64.7632 31.4330 176.3477 135 E 4.4444 7.6814 113.0915 55.8984 30.5547 176.2160 136 V 4.1637 7.8711 119.5598 61.0265 32.5306 172.3199 137 P 4.7612 0.0000 0.0000 62.2390 32.8113 175.4534 138 I 4.5925 8.8123 120.7583 59.8601 40.9956 175.1636 139 Q 4.8536 8.3488 122.8148 53.0102 28.7658 173.0401 140 L 4.1417 7.9627 123.0909 54.4123 43.6052 175.4944 141 K 4.5204 8.6659 126.9852 56.1403 32.6738 176.6714 142 V 4.3709 9.2430 125.6529 61.2078 34.1894 173.9799 143 S 5.0066 8.5161 121.6809 56.5560 65.5614 172.8990 144 V 4.7221 9.0233 125.6135 61.5722 35.5644 174.4282 145 V 4.7334 7.7748 126.7620 60.9324 34.9634 175.6274 *146 A 4.1192 8.3793 122.7938 52.5857 18.7690 176.5631 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 8.16 4.49 0.00 2.35 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 K 8.27 3.90 0.00 1.80 1.76 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.49 7.81 3 V 9.89 4.66 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 0.77 0.00 0.00 1.05 0.00 0.00 4 I 9.13 4.79 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 1.23 1.06 0.91 0.00 0.00 5 L 8.63 4.57 0.00 1.84 1.61 0.94 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.28 4.59 0.00 1.55 1.61 0.97 0.79 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 7 E 7.73 4.92 0.00 1.88 1.84 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 2.18 2.22 0.00 8 P 0.00 4.68 0.00 2.23 1.65 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 9 L 9.47 4.25 0.00 1.88 2.06 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.03 4.09 0.00 2.02 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 2.40 2.38 0.00 11 N 8.49 4.55 0.00 2.82 3.02 0.00 0.00 6.87 7.85 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 12 L 6.62 5.78 0.00 1.87 1.84 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.45 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 0.00 0.00 0.00 0.00 14 D 8.41 4.45 0.00 2.96 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 15 V 7.73 3.45 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 0.69 0.00 0.00 0.89 0.00 0.00 16 G 7.97 3.64 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 0.00 0.00 0.00 17 Q 8.96 3.14 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 18 V 8.37 4.79 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 0.87 0.00 0.00 0.97 0.00 0.00 19 V 7.98 4.51 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 0.80 0.00 0.00 0.96 0.00 0.00 20 D 8.76 5.27 0.00 2.80 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 21 V 8.07 4.63 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 0.77 0.00 0.00 1.09 0.00 0.00 22 K 9.05 3.76 0.00 1.83 1.82 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.48 7.81 23 P 0.00 4.32 0.00 2.18 2.15 0.00 3.65 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 24 G 8.38 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 25 Y 8.41 4.37 0.00 2.93 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 26 A 8.24 3.86 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 27 R 8.13 3.90 0.00 1.86 2.07 0.00 3.14 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 28 N 7.99 4.89 0.00 3.04 2.94 0.00 0.00 6.72 8.10 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 29 Y 7.98 4.44 0.00 2.92 2.46 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 30 L 8.36 3.68 0.00 1.50 1.58 0.65 0.81 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 31 L 8.00 4.31 0.00 1.90 1.67 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.28 0.00 1.96 2.08 0.00 3.81 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 2.02 2.15 0.00 33 R 7.95 4.25 0.00 1.53 1.64 0.00 2.21 0.00 0.00 2.78 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.39 0.00 34 G 8.10 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 35 L 7.91 4.14 0.00 1.37 1.67 0.50 0.51 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 36 A 7.56 4.47 1.15 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 0.00 0.00 37 V 8.72 4.42 2.06 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 0.96 0.00 0.00 0.91 0.00 0.00 38 L 8.61 4.29 0.00 1.54 1.62 0.91 0.79 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 39 A 8.05 4.51 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 40 T 7.93 4.06 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 41 E 8.74 3.95 0.00 1.96 2.06 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 2.32 2.32 0.00 42 S 8.09 4.22 0.00 3.88 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 43 N 8.16 4.39 0.00 2.91 2.84 0.00 0.00 6.77 6.72 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 44 L 8.53 4.08 0.00 1.95 1.79 0.92 0.60 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 45 K 7.52 4.32 0.00 1.72 1.82 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.39 1.60 7.81 46 A 7.82 4.30 1.36 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 0.00 0.00 47 L 7.71 4.02 0.00 1.70 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.48 4.21 0.00 2.06 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 0.00 2.35 2.55 0.00 49 A 7.59 4.55 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 50 R 7.70 3.85 0.00 1.81 2.00 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 51 I 8.25 3.72 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 1.52 0.87 0.91 0.00 0.00 52 R 8.12 3.98 0.00 2.04 1.95 0.00 3.16 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 53 A 8.43 3.69 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 54 Q 8.45 3.87 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 55 A 7.64 4.08 1.37 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 0.00 0.00 56 K 8.60 4.09 0.00 1.90 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.66 7.81 57 R 8.29 3.98 0.00 1.92 1.97 0.00 3.12 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 58 L 8.20 4.49 0.00 1.57 1.68 0.93 0.75 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 59 A 7.87 4.65 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 60 E 7.89 4.18 0.00 2.15 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 2.34 2.57 0.00 61 R 8.46 3.97 0.00 1.75 1.93 0.00 3.12 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 62 K 7.93 4.05 0.00 1.75 1.82 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.28 7.81 63 A 7.57 4.06 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 64 E 7.94 4.02 0.00 2.04 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 2.34 2.53 0.00 65 A 7.54 4.01 1.45 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 0.00 0.00 66 E 8.57 4.15 0.00 2.11 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 2.46 2.35 0.00 67 R 7.87 4.52 0.00 2.00 1.94 0.00 3.34 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 68 L 8.02 4.13 0.00 1.70 1.58 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.86 3.99 0.00 1.85 1.87 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.70 7.81 70 E 7.74 4.12 0.00 2.24 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 0.00 2.32 2.51 0.00 71 I 8.06 3.79 1.83 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 1.51 1.10 0.89 0.00 0.00 72 L 8.35 4.41 0.00 1.56 1.59 0.64 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.87 4.54 0.00 2.05 1.93 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 2.59 2.37 0.00 74 N 7.64 4.83 0.00 2.78 2.83 0.00 0.00 7.02 7.85 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 75 L 7.50 4.30 0.00 1.73 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.38 4.55 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 1.24 0.00 0.00 77 L 7.94 5.69 0.00 1.73 1.73 0.99 0.51 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 78 T 8.69 5.46 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 1.23 0.00 0.00 79 I 8.26 4.61 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 1.43 1.21 0.93 0.00 0.00 80 P 0.00 4.34 0.00 2.19 2.10 0.00 3.81 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 2.02 2.02 0.00 81 V 8.86 4.24 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 0.85 0.00 0.00 0.98 0.00 0.00 82 R 9.44 3.72 0.00 1.95 2.02 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 83 A 7.52 5.03 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 84 G 8.07 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 85 E 9.31 4.40 0.00 1.95 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 2.25 2.32 0.00 86 T 7.07 4.47 4.21 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 1.22 0.00 0.00 87 K 7.86 3.91 0.00 1.59 1.58 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.41 7.81 88 I 8.37 4.09 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.89 1.03 0.00 0.00 89 Y 8.71 4.22 0.00 2.89 3.08 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 90 G 7.12 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 91 S 7.97 4.67 0.00 3.83 3.69 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 0.00 0.00 0.00 0.00 92 V 9.00 4.79 2.06 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 0.95 0.00 0.00 0.94 0.00 0.00 93 T 8.48 4.81 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 94 A 9.00 3.89 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 95 K 8.26 3.67 0.00 1.81 1.83 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 96 D 8.32 4.32 0.00 2.85 2.65 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 0.00 0.00 0.00 97 I 8.94 3.30 2.03 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 1.66 0.85 0.95 0.00 0.00 98 A 7.45 3.95 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 99 E 9.15 4.00 0.00 2.02 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 0.00 2.31 2.33 0.00 100 A 9.75 4.02 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 0.00 101 L 8.15 4.08 0.00 1.90 1.93 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.84 4.64 0.00 4.01 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 0.00 103 R 8.13 4.42 0.00 1.97 1.89 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 104 Q 7.33 4.06 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 105 H 7.62 4.42 0.00 3.08 3.26 0.00 5.97 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 0.00 106 G 7.94 4.15 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 0.00 0.00 0.00 107 I 7.43 3.57 1.84 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 1.20 0.66 0.86 0.00 0.00 108 T 8.28 4.45 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 0.00 109 I 7.91 4.73 2.17 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 1.59 1.41 0.80 0.00 0.00 110 D 8.36 4.68 0.00 2.66 2.63 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 0.00 111 P 0.00 4.31 0.00 2.25 2.27 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 112 K 7.68 3.93 0.00 1.90 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.50 7.81 113 R 7.63 4.25 0.00 1.52 1.45 0.00 3.30 0.00 0.00 2.98 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 114 L 7.27 4.47 0.00 1.57 1.48 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.19 3.70 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 0.00 116 L 7.20 4.54 0.00 1.53 1.80 0.88 0.92 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 0.00 117 E 8.80 4.40 0.00 2.05 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 2.14 2.23 0.00 118 K 7.83 4.16 0.00 1.71 1.75 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.42 7.81 119 P 0.00 4.10 0.00 1.94 2.01 0.00 3.70 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 2.02 2.11 0.00 120 I 8.31 3.64 1.66 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.89 0.93 0.00 0.00 121 K 8.17 4.67 0.00 1.72 1.62 0.00 1.88 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.80 7.81 122 E 7.37 4.95 0.00 1.95 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 0.00 2.14 2.16 0.00 123 L 8.41 4.85 0.00 1.85 1.50 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.38 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 0.00 125 E 8.27 5.26 0.00 1.99 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 2.04 2.19 0.00 126 Y 10.08 4.67 0.00 2.92 2.87 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 0.00 127 V 8.52 4.45 2.12 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 0.81 0.00 0.00 0.94 0.00 0.00 128 L 8.98 4.47 0.00 1.76 1.67 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.29 5.24 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 1.24 0.00 0.00 130 Y 8.57 4.39 0.00 3.11 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 0.00 131 K 7.69 4.67 0.00 1.46 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.37 7.81 132 P 0.00 4.63 0.00 2.17 2.30 0.00 3.90 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.49 0.00 133 H 7.79 4.96 0.00 3.18 3.14 0.00 5.90 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 0.00 134 P 0.00 4.02 0.00 1.87 2.01 0.00 3.47 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 1.98 2.07 0.00 135 E 7.68 4.44 0.00 2.05 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 2.28 2.33 0.00 136 V 7.87 4.16 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 0.81 0.00 0.00 0.97 0.00 0.00 137 P 0.00 4.76 0.00 2.01 2.02 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 138 I 8.81 4.59 2.05 0.00 0.00 0.70 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 1.21 0.86 0.00 0.00 139 Q 8.35 4.85 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 140 L 7.96 4.14 0.00 1.77 1.60 0.86 0.66 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 0.00 141 K 8.67 4.52 0.00 1.69 1.75 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.44 7.81 142 V 9.24 4.37 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 1.00 0.00 0.00 1.03 0.00 0.00 143 S 8.52 5.01 0.00 3.96 3.66 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 0.00 144 V 9.02 4.72 2.16 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 1.01 0.00 0.00 1.01 0.00 0.00 145 V 7.77 4.73 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 0.81 0.00 0.00 0.95 0.00 0.00 *146 A 8.38 4.12 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.