NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.1973 8.1876 119.0917 54.4897 30.1073 174.5431 13 D 4.7608 8.1187 119.5897 52.5238 41.6429 175.7724 14 A 3.6535 9.2367 122.4711 55.3321 18.6483 181.1025 15 Q 4.6197 8.2683 116.1613 59.3450 28.8637 178.0669 16 H 4.0111 8.7510 119.4792 59.4855 29.8933 177.2500 17 S 3.9988 7.6281 116.1503 61.6969 62.5504 176.8062 18 F 4.2731 7.5710 120.2528 60.8039 38.7040 178.0467 19 R 3.9809 8.4365 117.9385 59.3074 29.8054 179.4051 20 R 3.9497 8.0846 118.0172 58.9976 29.8028 178.8823 21 L 3.9614 7.8857 119.4837 58.0064 42.1839 178.4552 22 L 4.1469 8.0424 118.3734 57.7398 41.8719 179.2459 23 K 4.1288 8.0972 119.1149 59.3544 31.9389 179.1879 24 A 3.9651 7.6283 115.8671 53.5588 18.2846 178.2088 *26 S 4.5004 7.9784 117.5051 59.3450 65.2167 174.2068 27 E 4.6345 8.0283 119.1586 52.7943 29.5206 172.1104 28 P 4.6305 0.0000 0.0000 64.2650 32.1979 176.5264 29 G 4.0702 8.6033 111.4645 45.2433 0.0000 174.4859 30 V 3.6844 7.2708 119.4000 61.8227 31.7781 175.4780 31 I 4.5214 8.1761 124.5166 60.4977 38.3775 175.3270 32 V 4.6305 8.8979 118.9754 59.4104 36.0176 174.0531 33 A 5.1970 8.4924 122.8842 50.2182 21.0897 175.7500 34 L 4.6193 8.9590 122.6366 53.1060 44.5476 177.2625 35 H 4.7894 8.4121 122.4523 54.8491 29.8668 172.2981 36 Q 4.4652 9.0605 121.3952 55.7492 29.6245 174.7082 37 L 4.5341 7.1922 117.9049 55.4816 43.4225 176.3365 *38 K 4.2031 8.5692 121.7869 56.9905 32.0423 176.1470 39 R 4.7233 7.5012 113.4771 54.6841 33.2438 179.9780 40 G 3.7941 8.2077 108.7479 43.9825 0.0000 174.6709 41 W 4.7394 7.8515 120.1079 54.8464 27.4679 175.3480 42 Q 4.4503 8.3369 120.4875 55.7812 28.8371 174.9006 43 P 4.6723 0.0000 0.0000 62.7484 31.6588 175.8844 44 L 4.2818 8.1489 121.1341 54.7199 42.2525 177.0049 45 N 4.6356 8.3925 121.2610 52.1876 39.8858 176.1793 46 I 3.5459 8.0478 120.0160 64.2168 37.0276 178.5744 47 A 3.8630 8.1598 121.7744 55.3419 18.1518 179.8064 48 T 3.7057 8.6429 114.5572 67.1056 68.5314 176.9105 49 T 3.3190 7.6356 117.4799 66.6837 68.4537 176.8760 50 S 3.8813 8.0445 117.2150 61.2371 62.8122 176.8133 51 V 3.4526 8.0072 121.4418 66.0109 31.2447 178.1614 52 L 3.8128 8.0058 118.9477 57.7048 41.2255 179.4852 53 L 4.0935 7.7228 118.0886 57.9103 41.5258 179.5261 54 T 4.0768 7.4137 114.6868 66.0539 68.5936 175.5690 55 L 4.5803 7.7788 117.5845 54.5923 43.6683 176.5523 56 A 4.8803 7.7717 121.5468 50.9098 20.6649 176.4549 57 D 4.9847 8.8853 120.0424 52.3590 41.4734 175.6080 58 N 4.6662 8.8200 114.1890 55.5258 37.3394 175.1645 59 D 4.6781 8.3337 117.5008 54.7660 41.1366 176.6522 60 T 4.5622 7.8474 109.8713 58.4644 69.5392 171.5756 61 P 4.6765 0.0000 0.0000 63.7714 32.9472 174.9544 62 V 5.1299 9.1138 122.8665 60.9054 34.7319 173.8846 63 W 5.2557 9.3273 135.0000 55.5956 33.4244 173.7673 64 L 4.8110 7.8964 126.7546 52.3863 43.1863 176.6270 65 S 3.5217 7.6702 118.6011 58.1086 64.1708 175.5522 66 T 3.8170 8.6606 117.0691 66.4821 68.2660 175.1563 67 P 4.2740 0.0000 0.0000 64.8006 31.3944 176.9715 68 L 4.3610 7.7514 115.7452 54.3033 41.9214 176.1636 69 N 4.6337 7.7811 119.0672 51.8733 38.2498 173.5604 70 N 5.1312 7.9407 122.2232 50.0397 42.2234 174.6966 71 D 4.3712 8.4649 119.5544 57.3960 40.7574 179.0679 72 I 3.6254 7.7147 119.8381 64.2763 37.1624 178.2826 73 V 3.5896 8.2564 119.1519 66.2200 31.3023 177.6773 74 N 4.2571 8.5776 116.2981 56.5207 38.3992 177.4126 75 Q 3.9262 8.3532 119.6640 58.9509 28.7612 179.0925 76 S 3.7200 8.0580 116.4094 61.2677 62.7600 176.5165 77 L 3.3084 7.4192 122.8783 57.9414 41.8078 179.0674 78 R 3.8875 8.1215 118.3670 59.3095 29.8117 178.8678 79 F 4.1808 7.9254 118.9181 61.5380 39.4961 176.3990 80 H 4.3761 8.0117 113.9282 57.0147 28.9785 176.0864 81 T 4.4755 7.8542 108.7779 60.0631 70.3121 174.4712 82 N 4.2975 8.4981 117.5823 53.7764 37.0450 173.4688 83 A 4.3852 7.8881 119.1989 51.1893 19.4183 176.6648 84 P 4.3066 0.0000 0.0000 62.7238 32.6779 175.5572 85 L 5.0105 8.6036 125.1942 53.6964 42.0287 176.3781 86 V 4.4127 8.5986 118.3579 60.0963 32.4996 177.3527 87 S 4.5153 8.8836 117.9453 60.2654 63.8484 174.3455 88 Q 4.4270 7.7339 119.3823 52.8196 32.3155 174.3221 89 P 3.5135 0.0000 0.0000 65.4186 31.2531 178.3783 90 E 4.0434 7.6864 116.5958 58.0119 29.3797 177.3653 91 Q 4.3576 7.6892 115.5317 55.2837 29.2852 175.5153 92 A 4.3015 7.7284 122.5861 52.4490 19.3815 177.9568 93 T 4.0152 9.0356 120.1720 65.6053 69.9916 174.9204 94 F 5.4477 8.0602 119.4179 55.5491 42.1454 174.1422 95 A 5.4507 9.3368 125.8910 50.3561 21.8203 175.5992 96 V 4.9161 8.9518 121.8696 61.3893 34.6076 174.6561 97 T 5.1397 8.9977 117.1123 59.3641 73.2445 171.8758 98 D 5.0197 8.3720 119.7730 51.1938 41.7076 176.3567 99 E 4.2215 8.6762 116.4001 57.6526 29.8988 176.7706 100 A 4.2336 8.2833 122.0292 52.5806 18.7225 177.7114 101 I 3.8573 7.4565 117.1552 61.7925 38.4475 176.3566 102 S 4.6384 9.1312 122.7265 57.5236 65.5704 175.5160 103 S 4.1489 8.5086 118.2326 61.7538 62.5487 176.8339 104 E 3.9431 8.1206 120.6721 59.6351 29.1012 179.2649 105 Q 3.8493 7.9139 116.5274 58.7204 29.0428 178.2961 106 L 4.1282 8.3056 121.7083 58.4394 42.2469 178.9093 107 N 4.3857 8.5768 116.4348 56.1725 38.0240 177.2645 108 A 3.9771 8.0739 122.1484 54.7002 18.3369 178.9122 109 L 4.1621 7.7784 116.1695 54.9208 41.8009 176.4827 110 S 4.8713 6.9598 116.4830 56.1638 63.7964 174.1118 *120 G 3.6708 8.5603 112.7941 45.1255 0.0000 171.2988 121 A 4.3000 8.3247 121.2761 51.7846 20.4415 176.6013 122 T 4.8604 8.5098 115.9061 62.2221 70.5909 174.0616 123 L 4.9755 8.9879 129.5667 53.7133 44.1526 175.2020 124 I 4.7064 9.2244 128.7964 60.0579 38.5117 174.6399 125 L 4.7825 8.8846 131.5552 53.4166 43.3126 175.4506 126 Q 4.6752 9.1158 127.2419 55.8458 29.7925 175.8655 127 V 4.6605 8.7431 116.6513 59.6199 35.0819 175.7995 128 A 4.3772 8.6840 123.9854 52.9213 19.3419 177.5064 129 S 4.5856 7.4457 109.3562 57.1312 65.3099 174.3337 130 L 4.4894 8.5155 125.5429 55.0633 41.8104 175.9378 131 S 4.7520 7.6680 112.9990 57.4658 66.1317 174.2333 132 G 3.8728 9.0492 106.5090 45.6233 0.0000 173.5975 133 G 4.4531 7.9997 111.5622 43.6836 0.0000 176.2467 134 R 4.5130 7.8544 124.9487 55.7214 28.4863 173.0551 *136 L 4.4511 8.3043 116.9795 56.2087 42.9876 175.2835 137 R 4.6774 8.9066 123.5491 54.7843 32.1078 174.5740 138 L 5.3919 9.1009 127.1714 53.3577 44.2820 175.7468 139 T 4.8684 9.2946 112.8760 59.6766 73.1252 173.6598 140 G 4.1699 8.8545 111.5897 46.7898 0.0000 175.1748 *145 E 4.1027 8.0924 115.7362 55.3079 30.3064 176.9529 146 E 5.0355 8.2797 121.1437 54.0465 33.4725 174.8377 147 R 4.4966 8.4493 119.3660 55.2828 33.5900 173.4855 *149 I 4.2433 8.3690 110.2039 60.6795 39.2177 175.7824 150 A 5.1066 7.8312 121.5670 50.1052 18.2421 174.0514 151 P 4.7936 0.0000 0.0000 62.1964 33.7048 176.9046 152 Q 4.5035 8.0318 119.1462 55.1363 29.4723 175.7072 153 L 4.8461 8.2995 122.8348 51.3831 46.0904 175.0727 154 P 4.5468 0.0000 0.0000 62.5257 33.5882 177.2871 155 E 4.0187 8.8256 119.3332 59.8924 29.3576 179.5311 156 C 4.1860 8.0516 114.0545 61.3817 29.6669 175.9644 157 I 3.8244 7.7007 121.8509 63.9684 36.7371 178.1517 158 L 3.9741 8.0654 119.9600 57.9099 41.4046 178.9274 159 H 4.0778 8.4466 118.3048 59.2482 29.8212 176.7049 160 E 3.8820 8.1610 120.9818 59.4718 29.2308 178.8975 161 L 4.0023 7.9316 117.9128 57.9546 41.7822 179.2243 162 T 4.3159 7.9858 110.1451 63.2745 69.0746 175.9731 163 E 4.2268 8.2287 119.7993 55.2796 31.2463 176.1614 164 R 3.8043 7.9142 117.8192 56.6398 27.9444 175.5011 165 P 3.9390 0.0000 0.0000 64.6232 32.1145 176.5076 166 H 4.7939 7.4477 119.1974 53.6488 30.2057 173.2848 167 P 4.3677 0.0000 0.0000 62.3359 31.2310 172.7106 *168 F 4.3711 8.7090 120.3722 57.8323 38.1593 175.1836 169 P 5.0597 0.0000 0.0000 61.5272 31.4418 175.2724 170 L 4.1249 8.4381 123.3267 57.5425 41.2417 180.0479 171 G 4.1876 7.7881 104.7358 46.5132 0.0000 172.7161 172 I 5.0958 8.0188 112.7882 59.7291 39.0582 175.3723 173 D 4.8104 8.5791 123.5469 53.6449 42.8170 174.9259 174 L 5.2133 8.6996 123.9183 53.3290 45.4139 175.0268 175 I 4.9790 8.9380 126.2735 59.5918 40.5965 174.1974 176 L 5.2175 9.1099 128.1322 53.3517 43.7073 175.8219 177 T 5.0625 8.7401 113.4627 60.3009 72.5202 172.9859 178 C 4.5900 9.3968 123.9966 58.3161 35.2219 174.1480 179 G 3.7794 8.9385 117.6578 47.1247 0.0000 174.2094 180 E 4.4521 8.7631 123.7567 55.7502 30.0614 175.0082 181 R 5.2053 7.9240 119.6965 55.1194 32.9915 175.0331 182 L 5.2429 8.9228 120.9027 54.6778 44.4752 174.3412 183 L 5.2772 8.7620 118.8094 54.1451 44.5397 174.8588 184 A 5.1694 8.5364 120.8278 50.4109 22.6034 175.6550 185 I 4.4195 8.9115 121.3969 58.6019 39.8114 173.8372 186 P 4.8324 0.0000 0.0000 61.8090 31.9498 178.2069 187 R 4.0498 9.2647 117.6037 58.9705 29.2514 177.9037 188 T 4.2282 7.7407 107.0404 62.9190 69.5846 174.9998 189 T 4.1390 7.6431 120.1012 63.8510 69.2666 173.4873 190 H 4.7135 9.2793 126.4605 55.3013 31.4173 173.9432 191 V 4.8307 8.0536 124.4300 61.1397 34.6342 173.7797 192 E 4.7483 9.0877 126.3660 54.7064 33.2973 175.6378 193 V 4.5269 9.3772 115.4859 59.4869 34.2890 175.9738 194 C 4.6216 8.5544 118.4475 60.2443 28.6569 173.9792 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 12 Q 8.19 4.20 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.91 0.00 0.00 0.00 0.00 0.00 2.26 1.93 0.00 13 D 8.12 4.76 0.00 3.00 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 14 A 9.24 3.65 1.47 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 15 Q 8.27 4.62 0.00 2.44 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 16 H 8.75 4.01 0.00 3.36 3.35 0.00 5.60 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 17 S 7.63 4.00 0.00 3.51 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 18 F 7.57 4.27 0.00 3.25 3.05 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 0.00 0.00 0.00 19 R 8.44 3.98 0.00 1.92 1.97 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 20 R 8.08 3.95 0.00 1.93 1.96 0.00 3.24 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.92 0.00 21 L 7.89 3.96 0.00 1.61 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.04 4.15 0.00 1.98 1.75 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.10 4.13 0.00 1.92 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.45 7.81 24 A 7.63 3.97 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 *26 S 7.98 4.50 0.00 4.07 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 27 E 8.03 4.63 0.00 2.04 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 2.21 2.40 0.00 28 P 0.00 4.63 0.00 2.04 2.03 0.00 3.68 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 2.04 2.11 0.00 29 G 8.60 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.27 3.68 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 0.77 0.00 0.00 0.93 0.00 0.00 31 I 8.18 4.52 1.86 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 1.34 0.57 0.94 0.00 0.00 32 V 8.90 4.63 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 0.68 0.00 0.00 0.99 0.00 0.00 33 A 8.49 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.96 4.62 0.00 1.36 1.46 0.85 0.92 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 35 H 8.41 4.79 0.00 3.01 3.07 0.00 5.92 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 9.06 4.47 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.43 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 37 L 7.19 4.53 0.00 1.65 1.52 0.68 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 *38 K 8.57 4.20 0.00 1.80 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.00 7.81 39 R 7.50 4.72 0.00 1.75 1.65 0.00 3.23 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.00 40 G 8.21 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 7.85 4.74 0.00 3.51 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.34 4.45 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.40 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 43 P 0.00 4.67 0.00 2.17 2.13 0.00 3.78 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 1.96 1.97 0.00 44 L 8.15 4.28 0.00 1.93 1.61 1.13 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 45 N 8.39 4.64 0.00 3.03 2.93 0.00 0.00 6.28 7.84 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 46 I 8.05 3.55 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.91 0.00 0.00 47 A 8.16 3.86 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 48 T 8.64 3.71 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 1.17 0.00 0.00 49 T 7.64 3.32 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 -0.58 0.00 0.00 50 S 8.04 3.88 0.00 3.81 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 51 V 8.01 3.45 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 0.87 0.00 0.00 0.93 0.00 0.00 52 L 8.01 3.81 0.00 1.86 1.79 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.72 4.09 0.00 1.64 1.68 0.73 0.99 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 54 T 7.41 4.08 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 1.21 0.00 0.00 55 L 7.78 4.58 0.00 1.10 1.68 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.77 4.88 1.28 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 0.00 0.00 57 D 8.89 4.98 0.00 2.92 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.67 0.00 2.87 3.02 0.00 0.00 6.40 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 59 D 8.33 4.68 0.00 2.91 2.77 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 60 T 7.85 4.56 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 61 P 0.00 4.68 0.00 2.32 2.09 0.00 3.53 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 2.13 2.14 0.00 62 V 9.11 5.13 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 1.15 0.00 0.00 1.22 0.00 0.00 63 W 9.33 5.26 0.00 3.44 3.15 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 64 L 7.90 4.81 0.00 1.29 1.33 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.67 3.52 0.00 3.75 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 66 T 8.66 3.82 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 1.21 0.00 0.00 67 P 0.00 4.27 0.00 2.09 2.10 0.00 3.51 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.10 0.00 68 L 7.75 4.36 0.00 1.50 1.62 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.78 4.63 0.00 2.85 2.68 0.00 0.00 6.86 7.31 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 70 N 7.94 5.13 0.00 2.95 2.85 0.00 0.00 6.16 8.07 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 71 D 8.46 4.37 0.00 2.69 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 72 I 7.71 3.63 1.97 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 1.51 0.98 0.91 0.00 0.00 73 V 8.26 3.59 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 1.17 0.00 0.00 1.05 0.00 0.00 74 N 8.58 4.26 0.00 2.89 2.82 0.00 0.00 7.12 7.69 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 75 Q 8.35 3.93 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 76 S 8.06 3.72 0.00 3.01 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 77 L 7.42 3.31 0.00 1.72 1.69 1.15 1.00 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 78 R 8.12 3.89 0.00 1.84 1.96 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 79 F 7.93 4.18 0.00 2.84 2.83 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 80 H 8.01 4.38 0.00 3.23 3.51 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.85 4.48 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 1.40 0.00 0.00 82 N 8.50 4.30 0.00 2.94 2.90 0.00 0.00 6.72 7.11 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 83 A 7.89 4.39 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.13 2.03 0.00 3.82 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 2.15 2.15 0.00 85 L 8.60 5.01 0.00 1.55 1.68 1.04 1.04 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 86 V 8.60 4.41 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 0.73 0.00 0.00 1.07 0.00 0.00 87 S 8.88 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0.00 121 A 8.32 4.30 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 0.00 122 T 8.51 4.86 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 1.43 0.00 0.00 123 L 8.99 4.98 0.00 1.83 1.60 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 124 I 9.22 4.71 2.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.90 0.00 0.00 125 L 8.88 4.78 0.00 1.77 1.57 1.00 0.75 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 0.00 126 Q 9.12 4.68 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 127 V 8.74 4.66 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 0.73 0.00 0.00 0.98 0.00 0.00 128 A 8.68 4.38 1.26 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 0.00 0.00 129 S 7.45 4.59 0.00 3.81 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0.00 0.00 0.00 0.00 2.07 1.84 0.00 152 Q 8.03 4.50 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.70 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 153 L 8.30 4.85 0.00 1.58 1.52 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.55 0.00 2.29 2.33 0.00 3.73 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 2.21 0.00 155 E 8.83 4.02 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 156 C 8.05 4.19 0.00 3.18 3.21 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 0.00 157 I 7.70 3.82 2.05 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 1.68 0.91 0.94 0.00 0.00 158 L 8.07 3.97 0.00 1.88 1.73 0.97 0.73 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 0.00 159 H 8.45 4.08 0.00 3.25 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 E 8.16 3.88 0.00 2.18 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 2.35 2.43 0.00 161 L 7.93 4.00 0.00 1.78 1.70 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 162 T 7.99 4.32 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 1.24 0.00 0.00 163 E 8.23 4.23 0.00 1.77 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 2.26 2.32 0.00 164 R 7.91 3.80 0.00 1.95 1.91 0.00 3.30 0.00 0.00 3.43 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 165 P 0.00 3.94 0.00 1.99 2.11 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 166 H 7.45 4.79 0.00 2.97 3.25 0.00 5.87 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.37 0.00 1.99 1.94 0.00 3.75 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 2.03 1.60 0.00 *168 F 8.71 4.37 0.00 2.29 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 0.00 0.00 0.00 169 P 0.00 5.06 0.00 2.04 1.90 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.54 0.00 170 L 8.44 4.12 0.00 1.53 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 171 G 7.79 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 0.00 0.00 0.00 0.00 172 I 8.02 5.10 1.90 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 1.38 1.40 0.92 0.00 0.00 173 D 8.58 4.81 0.00 2.67 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 0.00 174 L 8.70 5.21 0.00 1.78 1.68 1.00 0.91 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 0.00 175 I 8.94 4.98 1.90 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 1.26 0.66 0.91 0.00 0.00 176 L 9.11 5.22 0.00 1.55 1.57 0.93 0.38 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 0.00 177 T 8.74 5.06 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 1.19 0.00 0.00 178 C 9.40 4.59 0.00 3.01 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 0.00 179 G 8.94 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 0.00 0.00 0.00 180 E 8.76 4.45 0.00 2.21 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 2.21 2.25 0.00 181 R 7.92 5.21 0.00 1.85 1.84 0.00 3.10 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 182 L 8.92 5.24 0.00 1.85 1.67 0.91 0.42 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 0.00 183 L 8.76 5.28 0.00 1.82 1.79 0.93 0.96 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 0.00 184 A 8.54 5.17 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 0.00 185 I 8.91 4.42 1.89 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 1.24 0.97 0.92 0.00 0.00 186 P 0.00 4.83 0.00 2.19 1.99 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 187 R 9.26 4.05 0.00 1.88 2.28 0.00 3.06 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 188 T 7.74 4.23 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 0.00 189 T 7.64 4.14 4.31 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 1.26 0.00 0.00 190 H 9.28 4.71 0.00 3.23 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 V 8.05 4.83 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 0.94 0.00 0.00 0.91 0.00 0.00 192 E 9.09 4.75 0.00 1.91 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 193 V 9.38 4.53 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 0.70 0.00 0.00 0.93 0.00 0.00 194 C 8.55 4.62 0.00 3.07 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 * Residues marked with a * may have inaccurate shift predictions.