NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5846 8.4131 118.2186 53.0223 39.1641 175.4516 3 G 3.6468 8.2993 104.8895 44.3784 0.0000 171.7152 4 A 4.1786 8.6343 123.6468 52.0022 20.0381 176.2311 5 I 4.4829 8.3326 121.4158 59.4249 40.0383 174.7086 6 K 4.9234 8.5093 126.0805 54.5226 34.7875 176.0455 7 V 4.2085 9.1155 118.2660 60.9134 35.0411 176.1727 8 G 2.3044 7.9484 108.5428 43.5848 0.0000 172.8100 9 A 3.8856 7.8816 120.9775 51.0944 19.6932 176.9899 10 W 4.1985 9.6675 120.5983 54.6883 31.0624 176.0704 11 G 3.1992 7.0509 109.1114 44.4784 0.0000 172.7017 12 G 4.1112 8.0776 112.2183 44.0500 0.0000 173.2346 13 N 4.5910 8.4517 114.5135 52.9943 38.8856 175.9734 14 G 3.8254 7.7595 108.1298 45.3049 0.0000 173.6649 15 G 3.9315 8.4823 107.1905 44.7317 0.0000 172.5492 16 S 4.9429 8.4341 113.9468 56.1324 66.3410 174.0091 17 A 4.6584 8.7736 125.6328 52.3173 18.8311 176.6927 18 F 5.0708 8.4072 116.9569 55.3927 41.8819 174.4365 19 D 4.9086 8.5958 118.2419 54.1982 42.0311 174.7896 20 M 4.3600 9.3168 125.2769 56.0187 32.1463 177.6566 21 G 3.4940 8.3312 108.6680 43.4435 0.0000 170.7891 22 P 4.0561 0.0000 0.0000 61.9832 32.1368 175.3734 23 A 4.8681 8.2386 122.7929 50.2899 21.6059 176.4629 24 Y 4.2528 8.4411 121.6429 60.4003 39.2543 176.9843 25 R 4.5398 7.7167 117.7825 55.0153 33.8083 174.1259 26 I 4.3265 8.5787 128.1889 61.9197 37.4540 175.7181 27 I 4.3144 9.2878 129.0491 63.2801 38.5294 175.9899 28 S 5.0438 7.7751 114.4185 56.9675 66.5374 172.8421 29 V 4.6183 8.6033 121.3262 60.9164 34.5432 173.9765 30 K 4.5872 9.0772 129.4315 54.7155 34.6548 174.5641 31 I 4.7690 8.2996 129.8266 59.9835 38.8952 175.0195 32 F 4.8914 9.1557 127.2819 56.7579 40.5363 175.0688 33 S 5.0961 9.1410 117.4912 56.6843 66.3343 171.1942 34 G 4.3726 9.4001 112.8181 46.3086 0.0000 174.8968 35 D 4.5022 9.4201 127.4582 56.5897 41.9702 174.9050 36 V 4.6357 7.0952 116.1334 60.6869 36.2783 174.3218 37 V 4.1558 8.5103 123.3219 62.6613 31.6838 176.2345 38 D 4.8605 9.4107 129.1143 57.1930 42.1394 176.1992 39 A 4.7588 7.7767 117.2396 51.6428 22.9845 175.3491 40 V 4.8861 8.5238 118.5433 61.8660 35.3028 173.3323 41 D 5.1959 9.4616 128.2863 52.6594 43.4041 175.5123 42 V 4.7891 8.2792 122.4354 61.4361 34.5995 174.0482 43 T 5.1932 8.8110 125.0412 61.9231 70.6863 173.6922 44 F 5.4662 8.9520 120.8131 56.1536 42.2043 172.7422 45 T 4.8487 8.9402 112.2935 60.7195 70.9393 175.1664 *46 Y 4.4742 8.8726 123.5366 57.4203 38.9493 172.7270 *47 Y 4.6284 8.0859 118.7861 56.6076 39.2701 175.8902 48 G 4.2125 8.0652 108.4965 43.8989 0.0000 172.8446 49 K 4.6302 7.3898 118.8930 55.3418 36.4772 177.1874 50 T 4.5985 8.4016 119.6594 63.2058 69.0074 173.8676 51 E 4.7334 8.6269 126.3972 54.3368 33.6455 175.1465 52 T 5.0404 8.1830 111.2641 60.1950 71.4911 173.2710 53 R 4.4571 9.1115 124.3718 54.7841 33.0840 175.2251 54 H 5.1285 8.1065 118.7908 53.3943 30.4371 173.0757 55 F 4.6819 8.4849 122.4690 56.5800 41.6117 177.8628 56 G 3.9665 8.5736 108.8385 45.6850 0.0000 172.0796 57 G 4.2340 8.8989 110.4259 43.5717 0.0000 173.5136 58 S 4.0433 8.2011 111.7454 57.5822 63.1925 174.5387 59 G 3.7600 7.7305 110.6166 45.9407 0.0000 173.7201 60 G 3.9908 8.5108 108.6817 45.0723 0.0000 172.2093 61 T 4.7463 8.7260 115.8656 60.8562 70.6505 173.0307 62 P 3.9280 0.0000 0.0000 62.8724 32.4383 175.5769 63 H 4.4479 8.5464 119.5889 54.0126 32.0079 171.7393 64 E 4.6676 8.6062 124.8383 54.6468 31.2006 175.2086 65 I 3.9335 8.9139 129.0242 59.6406 38.8631 174.7025 66 V 4.2477 8.0626 128.0037 61.3587 32.3605 175.1474 67 L 4.4744 8.4308 129.2963 54.1160 42.4763 177.5296 68 Q 4.2158 9.1709 123.8554 54.6660 29.7965 174.8254 69 E 4.0486 8.3720 120.3735 57.7421 29.6840 176.8026 70 G 3.7081 8.7621 114.5773 45.0310 0.0000 172.0185 71 E 4.4791 7.1939 120.7356 54.6337 30.8229 174.5619 72 Y 5.0264 8.8581 123.1764 55.9435 42.7964 174.6534 73 L 4.6860 8.6571 122.0742 54.7478 43.0110 177.5165 74 V 4.7334 8.7618 116.6014 60.3911 33.9641 175.2782 75 G 4.6981 7.8332 104.9025 44.6977 0.0000 172.6166 76 M 5.2202 8.3482 124.1818 54.2869 36.1391 174.4585 77 K 4.1058 8.2150 127.4195 53.5443 37.1687 174.0842 78 G 3.2742 6.2096 103.6947 47.0713 0.0000 171.6586 79 E 5.3201 7.9948 118.0258 54.7328 34.4598 174.6532 80 F 5.5119 8.4100 117.8437 55.4783 41.6550 174.2102 81 G 4.2236 8.6863 106.7516 45.6660 0.0000 171.6341 82 N 5.1810 8.9261 119.2917 53.7470 39.4082 174.1326 83 Y 4.5564 9.2454 126.7751 56.8194 40.4015 174.4833 84 H 3.5946 9.4637 127.2998 56.9486 25.9354 176.3089 85 G 3.9776 8.7600 104.9551 45.3284 0.0000 173.4391 86 V 4.4951 7.5385 119.0355 60.8018 34.9784 174.6546 87 V 4.7237 8.5122 127.6267 62.3652 32.5343 174.9034 88 V 5.0703 8.7232 120.6202 59.1549 36.9482 175.1326 89 V 4.2460 8.8148 122.4586 63.6593 31.8298 176.7753 90 G 3.8905 9.3968 116.5618 47.3462 0.0000 173.3470 91 K 5.2890 7.8712 118.1643 54.6877 37.1167 175.4451 92 L 4.9454 8.9234 124.9903 53.7668 45.8542 174.9452 93 G 4.4121 9.0427 112.6067 44.5337 0.0000 171.1467 94 F 5.6572 9.1109 118.4100 55.4692 43.5380 174.2210 95 S 5.5040 9.0518 115.9534 56.9553 66.0109 173.0913 96 T 5.6386 9.2211 111.9605 58.8250 71.8505 174.4156 97 N 4.7016 9.0211 117.2234 54.2637 37.5359 175.3564 98 K 4.4192 7.7548 116.5398 57.5790 34.4802 176.0612 99 K 4.4652 8.0939 117.4625 55.0204 35.4176 174.1983 100 S 4.9899 8.0561 116.7662 56.6948 64.3083 172.9530 101 Y 4.6622 8.7762 123.4984 57.2795 41.6152 176.4499 102 G 2.8443 8.3882 111.7549 43.7977 0.0000 171.2055 103 P 4.1239 0.0000 0.0000 62.7487 32.1644 175.5610 104 F 4.8187 8.8723 118.8786 56.9121 41.1792 175.9932 105 G 4.6625 8.9722 110.6448 46.4010 0.0000 173.0155 106 N 4.8586 8.6310 116.7248 52.7334 39.6949 174.5146 107 T 4.4348 7.6157 116.6641 61.3948 69.6383 174.5211 108 G 3.9004 8.6371 115.9212 45.7081 0.0000 173.1902 109 G 3.8519 8.2427 109.7990 45.8958 0.0000 173.9526 110 T 4.0987 8.3180 121.7797 62.0903 69.2672 173.0356 111 P 4.8704 0.0000 0.0000 62.7223 32.4062 175.5516 112 F 5.1974 8.7800 116.8189 55.4243 41.7673 173.6062 113 S 4.5969 8.1927 112.7947 57.1619 66.0026 174.0261 114 L 4.7855 9.0830 125.2190 52.4378 42.5592 172.2367 115 P 4.6849 0.0000 0.0000 62.0961 32.7364 176.3154 116 I 4.3712 8.0736 123.9227 59.5748 37.5465 175.5202 117 A 4.0964 8.7629 131.1092 54.3293 18.7115 177.6703 118 A 4.4611 7.9843 117.8230 51.6757 22.0149 174.5396 119 G 3.9916 9.2549 108.4665 44.3518 0.0000 172.1343 120 K 4.7662 8.7461 116.6020 55.7277 36.3646 175.0804 121 I 4.7104 8.4963 122.9454 61.2152 37.5815 176.2827 122 S 4.6119 8.9526 119.9866 57.5299 64.9689 173.3821 123 G 4.1732 6.9254 106.6851 46.5411 0.0000 171.9756 124 F 5.8205 8.3983 117.3351 55.8825 43.7402 174.1652 125 F 4.9231 8.8090 114.9888 54.8538 41.7593 174.1405 126 G 3.5173 6.1373 104.9474 45.8061 0.0000 171.5075 127 R 5.1600 7.9473 120.8982 54.5452 34.7037 174.8671 128 G 4.6836 9.4946 109.1125 43.9564 0.0000 171.5720 129 G 4.6358 9.3696 110.8342 45.7231 0.0000 174.0969 130 D 4.2601 9.2564 126.3686 55.8817 41.3905 174.5847 131 F 5.6038 7.5299 116.0537 55.6718 42.6682 173.2224 132 I 4.5085 8.3639 122.1507 60.4590 37.3498 176.3741 133 D 4.6279 8.8980 129.7250 57.0269 42.0363 176.3056 134 A 5.1024 8.2644 118.2188 50.6737 23.3157 175.1701 135 I 4.9515 8.9824 120.6431 59.4394 42.1846 174.4317 136 G 3.8417 8.7596 115.4270 44.3948 0.0000 171.1130 137 V 5.0591 8.6170 117.9562 60.3346 34.6555 174.0840 138 Y 4.8193 9.0994 121.5441 57.6800 39.2481 174.4852 139 L 5.2340 9.0192 123.3139 53.2048 44.9398 175.4913 140 E 4.7514 8.9263 118.5669 54.0998 34.0481 173.6600 141 P 4.3788 0.0000 0.0000 63.0068 31.4260 176.5905 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 N 8.41 4.58 0.00 2.85 3.03 0.00 0.00 6.16 6.11 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 3 G 8.30 3.65 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 0.00 0.00 0.00 4 A 8.63 4.18 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 5 I 8.33 4.48 1.88 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 1.33 0.63 0.91 0.00 0.00 6 K 8.51 4.92 0.00 1.10 0.99 0.00 1.08 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.80 7.81 7 V 9.12 4.21 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 0.78 0.00 0.00 1.18 0.00 0.00 8 G 7.95 2.30 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 0.00 9 A 7.88 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 W 9.67 4.20 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.08 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 13 N 8.45 4.59 0.00 2.71 2.83 0.00 0.00 6.84 7.65 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 14 G 7.76 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.48 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.43 4.94 0.00 3.81 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 17 A 8.77 4.66 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.41 5.07 0.00 2.85 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.60 4.91 0.00 2.71 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 20 M 9.32 4.36 0.00 2.66 2.18 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.04 0.00 21 G 8.33 3.49 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 0.00 22 P 0.00 4.06 0.00 2.06 1.78 0.00 3.44 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 23 A 8.24 4.87 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 24 Y 8.44 4.25 0.00 2.89 3.26 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 0.00 25 R 7.72 4.54 0.00 2.01 1.82 0.00 3.18 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 26 I 8.58 4.33 1.95 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 1.40 0.99 1.02 0.00 0.00 27 I 9.29 4.31 2.00 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 1.34 0.74 0.91 0.00 0.00 28 S 7.78 5.04 0.00 3.83 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 29 V 8.60 4.62 1.75 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 0.55 0.00 0.00 0.78 0.00 0.00 30 K 9.08 4.59 0.00 1.62 1.48 0.00 1.51 0.00 0.00 1.14 0.00 0.00 2.69 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.53 0.97 7.81 31 I 8.30 4.77 1.61 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.51 1.06 0.00 0.00 32 F 9.16 4.89 0.00 2.96 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 33 S 9.14 5.10 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 9.40 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 0.00 0.00 0.00 0.00 35 D 9.42 4.50 0.00 2.34 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 36 V 7.10 4.64 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 0.36 0.00 0.00 0.22 0.00 0.00 37 V 8.51 4.16 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 1.03 0.00 0.00 1.04 0.00 0.00 38 D 9.41 4.86 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.78 4.76 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 40 V 8.52 4.89 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 0.75 0.00 0.00 1.05 0.00 0.00 41 D 9.46 5.20 0.00 2.64 2.42 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 42 V 8.28 4.79 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 1.21 0.00 0.00 0.81 0.00 0.00 43 T 8.81 5.19 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 44 F 8.95 5.47 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.94 4.85 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 1.26 0.00 0.00 *46 Y 8.87 4.47 0.00 2.06 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 0.00 0.00 0.00 0.00 *47 Y 8.09 4.63 0.00 2.07 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 0.00 0.00 0.00 0.00 48 G 8.07 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 0.00 0.00 0.00 0.00 49 K 7.39 4.63 0.00 1.71 1.85 0.00 1.51 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.33 7.81 50 T 8.40 4.60 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 1.12 0.00 0.00 51 E 8.63 4.73 0.00 1.16 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 1.95 2.15 0.00 52 T 8.18 5.04 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 1.13 0.00 0.00 53 R 9.11 4.46 0.00 1.16 1.01 0.00 3.53 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 54 H 8.11 5.13 0.00 2.82 3.08 0.00 5.72 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.48 4.68 0.00 2.70 1.64 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 56 G 8.57 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 57 G 8.90 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 0.00 0.00 0.00 58 S 8.20 4.04 0.00 3.69 3.68 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 59 G 7.73 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 0.00 0.00 0.00 60 G 8.51 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 61 T 8.73 4.75 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 1.06 0.00 0.00 62 P 0.00 3.93 0.00 1.58 1.01 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 63 H 8.55 4.45 0.00 1.69 2.23 0.00 5.60 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.61 4.67 0.00 1.79 1.72 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 2.11 2.18 0.00 65 I 8.91 3.93 1.51 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 0.23 0.31 0.13 0.00 0.00 66 V 8.06 4.25 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 0.76 0.00 0.00 0.88 0.00 0.00 67 L 8.43 4.47 0.00 1.64 1.66 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.17 4.22 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 69 E 8.37 4.05 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 2.29 2.36 0.00 70 G 8.76 3.71 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 0.00 0.00 0.00 71 E 7.19 4.48 0.00 1.84 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 2.23 2.36 0.00 72 Y 8.86 5.03 0.00 3.00 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 73 L 8.66 4.69 0.00 1.70 1.77 0.92 0.79 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 74 V 8.76 4.73 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 1.04 0.00 0.00 1.07 0.00 0.00 75 G 7.83 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.35 5.22 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.26 0.00 77 K 8.22 4.11 0.00 1.45 1.59 0.00 1.96 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.26 7.81 78 G 6.21 3.27 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 0.00 79 E 7.99 5.32 0.00 1.84 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 2.05 2.10 0.00 80 F 8.41 5.51 0.00 3.26 3.26 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 0.00 81 G 8.69 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 0.00 0.00 0.00 0.00 82 N 8.93 5.18 0.00 2.82 2.80 0.00 0.00 6.59 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 9.25 4.56 0.00 2.87 2.75 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 84 H 9.46 3.59 0.00 3.13 3.27 0.00 5.81 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 85 G 8.76 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 86 V 7.54 4.50 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 0.89 0.00 0.00 1.07 0.00 0.00 87 V 8.51 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 1.13 0.00 0.00 1.03 0.00 0.00 88 V 8.72 5.07 2.35 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 0.97 0.00 0.00 0.95 0.00 0.00 89 V 8.81 4.25 2.32 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 1.26 0.00 0.00 1.14 0.00 0.00 90 G 9.40 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.87 5.29 0.00 1.56 1.53 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.56 7.81 92 L 8.92 4.95 0.00 1.82 1.57 0.97 1.10 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 93 G 9.04 4.41 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 0.00 94 F 9.11 5.66 0.00 3.18 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 95 S 9.05 5.50 0.00 3.93 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 96 T 9.22 5.64 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 97 N 9.02 4.70 0.00 2.92 3.09 0.00 0.00 5.79 7.13 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 98 K 7.75 4.42 0.00 1.96 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.47 7.81 99 K 8.09 4.47 0.00 1.65 1.39 0.00 1.42 0.00 0.00 1.08 0.00 0.00 2.51 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.80 1.14 7.81 100 S 8.06 4.99 0.00 3.76 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Y 8.78 4.66 0.00 3.37 3.04 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 0.00 102 G 8.39 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.12 0.00 2.01 1.85 0.00 3.52 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 104 F 8.87 4.82 0.00 3.15 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 0.00 105 G 8.97 4.66 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 0.00 0.00 0.00 106 N 8.63 4.86 0.00 2.64 2.78 0.00 0.00 6.84 7.72 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 0.00 107 T 7.62 4.43 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 1.26 0.00 0.00 108 G 8.64 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.24 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 0.00 110 T 8.32 4.10 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.87 0.00 1.95 1.91 0.00 3.58 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 1.91 1.87 0.00 112 F 8.78 5.20 0.00 2.54 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 0.00 113 S 8.19 4.60 0.00 3.71 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.08 4.79 0.00 1.48 1.57 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.68 0.00 2.12 2.02 0.00 3.79 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 116 I 8.07 4.37 2.05 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 1.23 0.86 0.96 0.00 0.00 117 A 8.76 4.10 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 0.00 118 A 7.98 4.46 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 0.00 119 G 9.25 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 0.00 120 K 8.75 4.77 0.00 1.92 1.86 0.00 1.08 0.00 0.00 1.02 0.00 0.00 2.85 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.17 1.32 7.81 121 I 8.50 4.71 1.90 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 0.59 0.00 0.00 122 S 8.95 4.61 0.00 3.79 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 0.00 123 G 6.93 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 0.00 124 F 8.40 5.82 0.00 3.23 3.18 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 0.00 125 F 8.81 4.92 0.00 3.11 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 0.00 126 G 6.14 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 0.00 0.00 0.00 127 R 7.95 5.16 0.00 1.72 1.91 0.00 3.01 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 128 G 9.49 4.68 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 0.00 0.00 0.00 129 G 9.37 4.64 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 0.00 130 D 9.26 4.26 0.00 2.42 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 0.00 0.00 0.00 131 F 7.53 5.60 0.00 3.26 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 0.00 132 I 8.36 4.51 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 1.12 0.00 0.00 133 D 8.90 4.63 0.00 2.84 2.75 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 0.00 134 A 8.26 5.10 1.11 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 0.00 135 I 8.98 4.95 2.07 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 1.13 0.00 0.00 136 G 8.76 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 0.00 0.00 0.00 137 V 8.62 5.06 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 0.87 0.00 0.00 0.81 0.00 0.00 138 Y 9.10 4.82 0.00 3.02 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 0.00 139 L 9.02 5.23 0.00 1.47 1.57 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.93 4.75 0.00 1.98 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 2.15 2.22 0.00 141 P 0.00 4.38 0.00 2.16 1.97 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.