NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3236 8.4444 120.2285 56.1373 30.8924 174.6879 3 I 3.8071 8.2942 124.5789 59.4974 39.1642 173.0007 4 L 4.3999 9.1451 132.9968 54.4101 43.6552 174.0891 5 Y 5.1763 8.6802 124.4965 56.3257 39.7694 175.0732 6 I 4.6787 8.4750 116.7319 59.0995 42.1391 174.4922 7 K 4.7396 7.8852 122.0409 55.5784 32.3774 176.1482 8 G 4.1778 7.9063 112.1623 46.4827 0.0000 170.0363 9 D 4.9591 8.3261 119.6976 52.0327 42.5880 177.6795 10 A 2.9996 8.6657 130.3160 54.6964 18.4936 177.9297 11 T 4.3008 8.6387 104.4725 62.8617 69.7122 174.6412 12 A 4.7685 8.0116 124.6909 49.7871 18.7992 174.3436 13 P 4.3833 0.0000 0.0000 62.3809 32.2809 177.2305 14 I 4.1772 9.1196 115.1522 60.5296 39.1381 175.7848 15 G 3.8557 8.9622 107.1713 44.3501 0.0000 171.3915 16 S 4.6309 7.8877 112.4919 56.8912 66.0428 173.7560 17 G 3.9538 8.6384 109.9601 44.2530 0.0000 173.1736 18 V 4.1573 8.0606 118.1118 63.1463 32.6278 174.9817 19 K 5.2482 9.1809 125.5842 54.6864 36.8348 175.5027 20 V 4.8776 8.7720 121.5407 61.4027 34.6528 174.3639 21 I 4.9090 8.8875 130.5068 60.9584 38.3152 175.0555 22 T 5.1828 8.6723 118.1594 60.2416 70.6194 173.3026 23 H 4.8251 8.6399 119.0886 54.4688 32.2751 172.3026 24 I 4.3265 8.1058 119.6184 59.9820 38.4986 175.1525 25 C 4.7745 8.3866 124.0286 57.7864 31.3505 173.3338 26 N 5.2951 8.8748 119.3757 51.6221 38.7980 174.2651 27 D 5.1303 8.5763 115.2681 53.3255 39.5539 176.4797 28 I 4.2811 8.2768 116.8127 61.0225 38.5817 176.0378 29 G 2.9545 8.3064 106.3722 45.5442 0.0000 173.7183 30 G 3.9392 8.1416 108.9140 44.7373 0.0000 174.7349 31 W 5.0117 8.6229 133.1408 55.2828 32.1436 173.8360 32 G 3.8728 8.4553 110.2566 45.1211 0.0000 171.7405 33 K 4.1675 8.6396 118.0220 55.9809 34.6768 175.7129 34 G 3.8507 8.5228 107.1415 44.0340 0.0000 173.7505 35 F 3.9240 9.0323 118.8856 61.6462 39.1909 178.5800 36 V 3.1557 7.5847 111.2821 64.0637 30.9700 178.3615 37 L 4.0066 7.8642 118.8861 57.5578 41.0067 179.1557 38 A 3.8085 7.5112 120.2526 54.8704 18.2307 179.4698 39 L 3.8089 7.4832 117.5607 58.2116 41.6556 179.9015 40 S 5.4074 8.2991 115.3962 60.8359 62.8142 176.4825 41 K 4.0003 7.8774 122.0255 58.6496 31.9121 177.4779 42 K 3.9226 6.9116 116.7914 56.7067 33.2105 176.9205 43 W 5.1722 8.4048 117.9843 54.7893 33.2440 175.7705 44 K 4.3888 8.4847 122.4984 55.9719 32.0467 175.9499 *46 P 4.3456 0.0000 0.0000 63.5326 34.0424 179.1177 47 E 2.0000 7.8106 117.4436 58.6291 29.4471 178.1863 48 E 3.7873 8.3058 119.3678 59.2465 29.6330 178.6398 49 A 3.9881 7.8816 120.0085 55.3553 18.5714 178.4824 50 Y 4.6063 8.2363 118.2617 61.3840 38.8279 178.7999 51 R 3.8057 8.2193 118.7232 59.4240 30.1822 179.1569 52 Q 4.0479 8.1001 117.6319 58.6071 28.6500 178.6531 53 W 4.4099 8.4459 129.6053 60.5057 30.5517 177.4673 54 Y 2.3900 7.6577 118.5476 60.2601 38.2398 178.0883 55 K 3.8691 7.7049 118.1570 59.0851 32.1578 179.2790 56 S 4.1978 8.0093 114.1444 59.2901 63.0111 174.7021 57 Q 3.3148 7.5363 118.7005 56.6437 26.4487 173.8738 58 E 4.3688 8.2686 119.0687 55.8685 28.4631 176.1958 59 E 3.7813 8.5817 126.8813 57.1083 27.2061 176.2618 60 F 3.8499 8.1599 121.0092 57.3036 38.9447 174.1887 61 T 4.5637 7.3062 123.0417 61.4254 72.5269 173.6606 62 L 4.2832 8.1734 123.5377 56.6881 42.0634 177.0279 63 G 4.0031 9.1331 111.1869 45.5826 0.0000 174.0778 64 A 4.4308 7.5075 121.2525 51.8709 19.2198 176.6815 65 V 4.6787 8.0189 117.7505 61.1682 34.8904 174.1090 66 Q 4.1929 8.3337 126.1775 54.1481 31.6799 173.8098 67 F 4.9557 8.8760 125.3004 55.9530 40.6971 175.2531 68 V 4.2274 8.8587 125.2684 60.9003 33.3162 174.6536 69 N 4.2992 8.8551 127.5866 53.3789 37.9770 174.4485 70 V 3.6736 7.4485 119.3864 62.1045 32.3042 175.7753 71 E 4.5532 7.0485 116.7161 54.5754 33.3864 173.7574 72 N 4.2848 8.5695 118.0684 55.0846 39.5659 174.6853 73 K 4.3980 8.7380 122.9934 56.8306 30.4019 174.0527 74 L 5.2103 7.1791 119.2398 54.0490 45.5837 174.3285 75 Y 5.2123 9.2454 122.7951 56.1061 42.7824 174.3842 76 V 4.7915 8.7301 119.5628 61.1740 34.9913 173.9940 77 A 4.6712 9.4302 130.5786 50.4336 20.6740 176.2393 78 N 4.6873 8.8480 120.5797 52.9832 41.3418 175.3016 *80 I 4.2973 7.6124 119.0806 61.6850 37.4121 176.2482 81 G 4.4747 7.8623 117.8612 44.9140 0.0000 169.6751 82 Q 4.6485 7.9712 121.1054 54.7059 32.8416 172.7648 83 H 4.8651 9.2224 128.1063 56.4161 30.5692 175.4470 84 G 3.8513 9.1319 116.5704 44.7648 0.0000 171.7523 85 I 4.5442 8.3732 117.6167 60.7322 38.7913 174.0957 86 Y 4.7941 7.3725 117.4278 54.5154 41.1072 174.4613 87 K 4.1523 8.5983 121.3606 55.3480 32.1891 176.0327 88 D 4.6467 8.1118 126.5942 52.6024 40.0512 177.4740 89 S 4.1928 8.6122 113.6500 61.0653 62.8115 175.2714 90 K 4.2092 8.1968 118.3570 56.3283 31.9573 176.7429 91 G 3.8457 8.3042 107.0482 46.4785 0.0000 173.4186 92 L 4.6775 8.1555 119.5526 51.4833 43.7901 175.2229 93 P 4.8094 0.0000 0.0000 61.6710 32.5054 174.5496 94 P 4.5421 0.0000 0.0000 65.2660 31.6808 176.4960 95 I 3.7219 7.2073 117.6100 60.9712 38.8591 175.0948 96 R 4.2868 8.3788 126.1984 54.0077 32.6396 175.6518 97 Y 4.0898 8.4610 123.0456 61.1552 38.0880 178.3139 98 D 4.4106 8.2557 118.9953 57.4292 40.8873 178.6349 99 A 3.9978 7.9277 120.7104 55.0917 18.3815 179.6606 100 V 3.4983 7.8677 116.8111 66.1463 31.7081 178.3979 101 R 3.9266 8.5095 118.2278 59.4794 29.9069 179.1132 102 Q 4.0396 7.9687 117.4739 58.9844 28.6509 178.4086 103 C 4.2066 8.3374 118.0202 63.0881 28.2343 176.3855 104 L 4.0569 8.1697 120.1715 57.2954 40.9554 179.5102 105 K 4.0319 7.8791 119.7289 59.4315 32.1236 178.7606 106 E 4.0882 8.2118 119.0538 59.2836 29.4175 179.3288 107 V 3.8984 8.1436 118.2500 66.0436 31.6022 177.4684 108 A 4.0342 8.4383 120.8499 55.7120 18.2685 179.5513 109 L 3.9497 7.7962 116.8611 57.8553 41.5990 179.8411 110 F 3.7203 8.1314 120.7523 61.2452 39.2972 177.4063 111 T 3.9786 8.7032 109.8615 65.0593 68.4901 176.5065 112 I 3.6836 7.8929 122.5348 63.9118 36.8955 178.2518 113 A 3.8963 7.6648 120.5065 54.6410 18.1938 178.4194 114 H 4.4526 7.8841 111.5829 54.1673 29.3846 174.9047 115 K 3.7025 7.5108 118.3318 57.4626 30.0820 174.6184 116 A 4.9325 8.2515 119.9818 50.7783 21.7387 176.6823 117 S 4.8586 8.6826 111.8618 56.7133 66.5409 172.7087 118 V 5.0492 8.6114 122.9805 61.5158 33.7005 174.1658 119 H 5.8868 9.2932 123.8567 52.5209 33.1523 171.5262 *121 P 4.7586 0.0000 0.0000 62.8088 32.5121 177.2857 122 R 4.1267 7.9672 114.8700 54.8431 27.9405 175.4434 123 I 3.6651 7.7262 112.5476 62.6522 38.2536 177.5890 124 G 3.9537 9.1542 111.9766 45.2814 0.0000 172.1614 125 C 4.9603 7.5968 117.7781 59.4572 29.3596 173.2515 126 G 3.9108 8.8228 111.7798 45.8152 0.0000 175.2351 *128 A 3.9453 8.1297 121.4292 52.2222 20.1511 178.5241 129 G 3.7524 7.8819 100.9382 45.6598 0.0000 173.3182 130 G 4.1509 8.1034 108.0449 43.7237 0.0000 174.0020 131 K 4.6059 8.6411 121.8018 54.1346 33.4623 178.0455 132 W 4.2429 8.9849 133.4690 60.2719 30.8760 176.9186 133 E 4.0620 8.2831 116.5873 58.4282 29.1485 176.7642 134 L 4.2236 7.6435 120.7611 54.9781 42.4670 177.5727 *136 E 3.6437 8.1998 119.5486 55.5236 31.3616 177.7817 137 Q 3.9947 7.5234 117.2608 58.6803 28.5262 178.5863 138 I 3.8139 7.4537 120.5939 64.0022 37.1854 178.2652 139 I 3.6850 7.4466 120.4304 64.2177 36.9563 178.4241 140 K 3.9688 7.9537 119.4604 59.3600 31.6262 179.0738 141 E 3.9225 7.8956 118.3369 58.7036 29.6632 177.8556 142 E 4.3789 8.3215 117.2062 57.1606 30.3487 176.3857 143 L 4.5957 8.1272 116.4295 56.0103 43.8798 178.3695 144 I 3.6881 7.6982 118.7186 65.2311 36.9428 178.4879 145 T 4.0396 7.9413 114.7821 66.0710 68.5651 175.1657 146 K 4.2965 8.0189 119.1428 55.8997 31.9976 177.2960 147 E 3.7830 8.4250 116.6502 57.0594 27.6189 174.4801 148 I 3.9197 7.2067 119.1564 60.7210 37.8225 175.8247 149 A 4.2180 8.5421 127.1932 52.0536 19.7641 176.2729 150 V 4.7456 8.3119 120.9557 61.3681 35.2932 174.2989 151 T 4.5619 8.7613 123.4454 61.8381 72.0805 172.9022 152 V 4.2151 8.3659 128.0054 61.9607 32.9957 174.2722 153 Y 5.0672 8.8534 125.3637 56.7036 39.6060 174.6107 154 D 4.8196 9.1060 123.2737 53.3135 44.0048 176.2559 155 L 3.9460 8.7681 124.2351 55.5942 43.1578 173.7432 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 2 E 8.44 4.32 0.00 1.99 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 2.24 2.28 0.00 3 I 8.29 3.81 1.78 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 -0.36 1.01 0.00 0.00 4 L 9.15 4.40 0.00 1.78 1.57 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.68 5.18 0.00 2.78 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 6 I 8.47 4.68 1.80 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.36 0.78 0.00 0.00 7 K 7.89 4.74 0.00 1.68 1.84 0.00 1.86 0.00 0.00 2.51 0.00 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.22 7.81 8 G 7.91 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 0.00 0.00 0.00 9 D 8.33 4.96 0.00 2.65 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 10 A 8.67 3.00 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 11 T 8.64 4.30 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 0.87 0.00 0.00 12 A 8.01 4.77 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 13 P 0.00 4.38 0.00 2.04 1.99 0.00 3.90 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 2.01 1.97 0.00 14 I 9.12 4.18 1.97 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 1.47 0.79 1.09 0.00 0.00 15 G 8.96 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 16 S 7.89 4.63 0.00 3.97 3.88 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 17 G 8.64 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 18 V 8.06 4.16 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 1.29 0.00 0.00 1.06 0.00 0.00 19 K 9.18 5.25 0.00 1.75 1.61 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.64 7.81 20 V 8.77 4.88 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 1.02 0.00 0.00 1.00 0.00 0.00 21 I 8.89 4.91 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.15 0.00 0.00 22 T 8.67 5.18 4.22 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 1.24 0.00 0.00 23 H 8.64 4.83 0.00 2.88 2.97 0.00 5.53 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.11 4.33 1.79 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 1.27 0.83 0.83 0.00 0.00 25 C 8.39 4.77 0.00 2.92 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 26 N 8.87 5.30 0.00 2.82 2.86 0.00 0.00 6.28 8.06 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 27 D 8.58 5.13 0.00 2.93 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 28 I 8.28 4.28 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 1.02 0.00 0.00 29 G 8.31 2.95 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 30 G 8.14 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 31 W 8.62 5.01 0.00 3.41 2.94 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 32 G 8.46 3.87 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 0.00 33 K 8.64 4.17 0.00 1.71 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.41 7.81 34 G 8.52 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 0.00 0.00 0.00 35 F 9.03 3.92 0.00 3.07 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 36 V 7.58 3.16 0.67 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 -0.49 0.00 0.00 0.48 0.00 0.00 37 L 7.86 4.01 0.00 1.75 1.65 0.90 0.81 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 38 A 7.51 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.48 3.81 0.00 2.11 2.03 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.30 5.41 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 41 K 7.88 4.00 0.00 1.80 1.87 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 42 K 6.91 3.92 0.00 0.79 0.74 0.00 0.83 0.00 0.00 0.97 0.00 0.00 2.71 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.90 0.88 7.81 43 W 8.40 5.17 0.00 3.41 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 44 K 8.48 4.39 0.00 1.93 2.01 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.47 7.81 *46 P 0.00 4.35 0.00 2.53 2.47 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 47 E 7.81 2.00 0.00 1.16 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 0.00 48 E 8.31 3.79 0.00 2.19 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 49 A 7.88 3.99 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 50 Y 8.24 4.61 0.00 3.24 3.02 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 51 R 8.22 3.81 0.00 2.00 1.94 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 52 Q 8.10 4.05 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 53 W 8.45 4.41 0.00 3.53 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.66 2.39 0.00 2.02 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 55 K 7.70 3.87 0.00 1.74 1.79 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.59 7.81 56 S 8.01 4.20 0.00 4.48 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 0.00 57 Q 7.54 3.31 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.07 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 58 E 8.27 4.37 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 2.37 2.38 0.00 59 E 8.58 3.78 0.00 2.30 2.22 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 2.32 2.37 0.00 60 F 8.16 3.85 0.00 2.44 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 61 T 7.31 4.56 4.22 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 1.20 0.00 0.00 62 L 8.17 4.28 0.00 1.59 1.57 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.13 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 0.00 0.00 0.00 64 A 7.51 4.43 1.52 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 0.00 0.00 65 V 8.02 4.68 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 -0.16 0.00 0.00 0.92 0.00 0.00 66 Q 8.33 4.19 0.00 0.93 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.08 1.91 0.00 67 F 8.88 4.96 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.86 4.23 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 0.90 0.00 0.00 0.96 0.00 0.00 69 N 8.86 4.30 0.00 2.49 2.58 0.00 0.00 7.20 7.71 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 70 V 7.45 3.67 0.67 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 0.29 0.00 0.00 -0.53 0.00 0.00 71 E 7.05 4.55 0.00 1.81 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.44 0.00 72 N 8.57 4.28 0.00 2.78 2.68 0.00 0.00 6.99 6.75 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 73 K 8.74 4.40 0.00 2.01 1.90 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.42 7.81 74 L 7.18 5.21 0.00 1.53 1.30 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 9.25 5.21 0.00 2.89 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 76 V 8.73 4.79 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 1.13 0.00 0.00 0.81 0.00 0.00 77 A 9.43 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.85 4.69 0.00 2.86 3.12 0.00 0.00 6.59 6.89 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 *80 I 7.61 4.30 1.80 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.47 0.69 0.00 0.00 81 G 7.86 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.97 4.65 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 83 H 9.22 4.87 0.00 3.21 3.24 0.00 5.69 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 84 G 9.13 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 0.00 0.00 0.00 85 I 8.37 4.54 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.95 0.00 0.00 86 Y 7.37 4.79 0.00 3.06 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 87 K 8.60 4.15 0.00 1.73 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 88 D 8.11 4.65 0.00 2.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.61 4.19 0.00 4.04 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 90 K 8.20 4.21 0.00 1.88 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 91 G 8.30 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 0.00 0.00 0.00 92 L 8.16 4.68 0.00 1.82 1.53 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.81 0.00 2.42 2.06 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 94 P 0.00 4.54 0.00 2.01 2.31 0.00 3.97 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 95 I 7.21 3.72 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.03 0.60 0.00 0.00 96 R 8.38 4.29 0.00 1.67 1.75 0.00 3.31 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 97 Y 8.46 4.09 0.00 2.99 2.95 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 98 D 8.26 4.41 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.93 4.00 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 0.00 100 V 7.87 3.50 2.27 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 1.09 0.00 0.00 0.90 0.00 0.00 101 R 8.51 3.93 0.00 2.06 1.98 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 102 Q 7.97 4.04 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 103 C 8.34 4.21 0.00 3.10 2.96 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 0.00 104 L 8.17 4.06 0.00 1.69 1.74 0.91 0.78 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 0.00 105 K 7.88 4.03 0.00 2.11 1.88 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 106 E 8.21 4.09 0.00 2.43 2.24 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 2.51 2.55 0.00 107 V 8.14 3.90 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 1.13 0.00 0.00 1.08 0.00 0.00 108 A 8.44 4.03 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 0.00 109 L 7.80 3.95 0.00 1.82 1.73 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.13 3.72 0.00 2.50 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 0.00 111 T 8.70 3.98 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 112 I 7.89 3.68 1.84 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 1.45 1.15 0.88 0.00 0.00 113 A 7.66 3.90 1.09 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 0.00 0.00 114 H 7.88 4.45 0.00 2.91 3.21 0.00 6.01 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.51 3.70 0.00 1.87 1.87 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.31 7.81 116 A 8.25 4.93 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 0.00 117 S 8.68 4.86 0.00 4.01 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 0.00 118 V 8.61 5.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 119 H 9.29 5.89 0.00 3.25 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *121 P 0.00 4.76 0.00 2.03 1.77 0.00 3.57 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 0.00 122 R 7.97 4.13 0.00 1.76 1.77 0.00 3.06 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.35 0.00 123 I 7.73 3.67 1.86 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 1.52 0.64 0.90 0.00 0.00 124 G 9.15 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 0.00 125 C 7.60 4.96 0.00 3.13 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 0.00 126 G 8.82 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 0.00 0.00 0.00 *128 A 8.13 3.95 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 0.00 129 G 7.88 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 0.00 130 G 8.10 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 0.00 131 K 8.64 4.61 0.00 1.91 1.80 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 132 W 8.98 4.24 0.00 3.43 3.19 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 0.00 133 E 8.28 4.06 0.00 1.97 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 2.35 2.44 0.00 134 L 7.64 4.22 0.00 1.51 1.47 0.65 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 *136 E 8.20 3.64 0.00 1.42 1.68 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 2.25 2.44 0.00 137 Q 7.52 3.99 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 138 I 7.45 3.81 1.80 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 0.90 0.00 0.00 139 I 7.45 3.69 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.88 0.00 0.00 140 K 7.95 3.97 0.00 1.78 1.83 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.61 7.81 141 E 7.90 3.92 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 2.32 0.00 142 E 8.32 4.38 0.00 2.01 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 2.44 2.47 0.00 143 L 8.13 4.60 0.00 1.75 1.63 0.93 0.71 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 0.00 144 I 7.70 3.69 1.91 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 1.63 0.47 0.91 0.00 0.00 145 T 7.94 4.04 4.37 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 1.21 0.00 0.00 146 K 8.02 4.30 0.00 2.03 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 147 E 8.42 3.78 0.00 2.08 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 0.00 2.24 2.26 0.00 148 I 7.21 3.92 2.01 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 1.36 0.76 0.94 0.00 0.00 149 A 8.54 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 150 V 8.31 4.75 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 0.98 0.00 0.00 0.99 0.00 0.00 151 T 8.76 4.56 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 0.76 0.00 0.00 152 V 8.37 4.22 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 0.85 0.00 0.00 0.99 0.00 0.00 153 Y 8.85 5.07 0.00 2.88 3.12 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 0.00 154 D 9.11 4.82 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.77 3.95 0.00 1.70 1.57 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.