NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4941 8.3193 117.1192 57.8731 63.9735 173.6476 3 T 4.1715 8.2954 115.1308 59.3250 69.5253 171.8669 4 I 2.0911 7.5087 122.4631 59.6947 39.0877 175.1597 5 P 4.3248 0.0000 0.0000 62.4201 32.2143 176.7095 6 S 4.3557 8.4749 115.1519 60.6517 62.6760 174.1542 7 E 4.6204 7.8095 118.4740 55.3265 30.0646 176.6009 8 I 3.8368 8.5443 124.1896 63.6436 37.5198 176.1000 9 I 4.4020 7.3930 119.4119 59.1992 39.2828 175.8126 10 N 4.5584 8.7036 124.3525 52.1090 38.2026 175.4790 11 W 4.0043 8.4140 128.0826 59.5419 29.0563 178.0475 12 T 4.0100 7.7865 114.8577 66.5115 68.2328 176.4703 13 I 3.8737 7.8987 121.6644 64.3927 37.2319 178.2949 14 L 3.9173 7.6696 120.5437 58.0593 41.8475 178.4387 15 N 4.4389 8.7633 116.9864 56.2045 38.1541 177.1595 16 E 4.0220 7.9267 119.2537 59.4088 29.7662 179.0753 17 I 4.0747 7.6408 119.4212 64.5067 37.3339 178.3999 18 I 4.0629 8.2585 121.2773 64.2879 36.7559 178.3620 19 S 4.4859 8.2588 114.0376 60.8922 62.7121 175.3851 20 M 4.4074 7.9129 120.9172 54.8261 32.2639 175.5634 21 D 4.7744 8.1174 120.4993 54.0555 42.2144 175.7615 *26 D 4.6637 8.4508 118.2541 54.7162 42.8400 178.0137 27 F 4.2287 8.2320 120.3860 61.3362 39.4107 177.0653 28 S 3.5813 9.6337 114.8418 61.1790 62.6954 176.2089 29 K 3.3986 7.8793 123.0596 58.8522 31.8218 178.6335 30 G 3.5493 8.1092 106.1604 47.7555 0.0000 175.3525 31 L 3.8273 7.6192 122.7403 57.8895 41.9770 179.1518 32 I 3.7305 7.9571 120.1993 64.3914 36.9594 178.5496 33 I 3.7182 7.9324 121.1146 64.2021 36.8325 178.1343 34 Q 3.9328 8.3069 120.7297 59.2260 28.8933 178.2053 35 F 4.0503 8.3368 121.6627 61.3144 39.3164 177.1402 36 I 3.8930 8.1176 119.5664 64.5466 36.9557 178.1694 37 D 4.2834 8.0388 119.7194 57.3468 40.6227 178.6104 38 Q 3.8450 8.1144 119.9788 58.9921 28.9366 178.2119 39 A 2.9571 7.4815 122.0176 54.7377 18.1668 179.4791 40 Q 3.7806 7.6502 116.6250 59.4903 28.7112 179.4959 41 T 3.8307 7.7560 116.4943 66.8906 68.3982 176.9929 42 T 3.8170 7.7478 117.6919 66.5746 68.3417 176.8539 43 F 4.4898 7.9819 119.7308 60.5024 38.8427 177.5918 44 A 4.0274 8.1228 120.4534 55.3141 18.1852 179.6695 45 Q 3.9223 8.3725 116.8353 59.4102 28.6954 179.0654 46 M 4.0682 8.4854 120.1002 58.3423 31.9927 178.5484 47 Q 3.9175 8.4550 120.1144 59.1073 29.2403 178.2024 48 R 3.8609 8.1808 119.8178 59.7019 30.1132 178.4898 49 Q 4.0054 8.0616 117.6793 58.9823 28.4681 178.7866 50 L 4.0287 7.8787 119.1544 57.7159 41.7498 178.7447 51 D 4.7219 8.0632 117.1523 53.1445 41.3468 177.4657 52 G 3.7920 8.1756 104.1856 45.2518 0.0000 174.1437 53 E 3.9106 9.6659 123.0276 57.2677 30.4221 175.5965 54 K 3.7390 8.1585 116.7266 57.2400 30.2667 176.2352 55 N 4.6343 8.5982 118.1524 52.4168 39.5031 173.9064 56 L 4.0243 8.3582 129.4955 58.1101 41.8064 179.6130 57 T 3.8552 7.9037 115.4263 66.4083 68.4648 176.3229 58 E 3.9558 8.2195 120.9425 59.0603 29.5771 178.7555 59 L 3.9793 7.9845 119.1828 57.6644 41.6006 178.8183 60 D 4.3064 8.3006 118.1316 57.6511 41.2367 178.1266 61 N 4.3353 8.1696 116.7404 56.4576 38.6217 177.4543 62 L 4.2070 8.1454 120.5053 57.5028 41.6430 179.6160 63 G 3.6783 8.3941 106.0415 48.0030 0.0000 175.0392 64 H 4.1772 8.4734 120.9125 58.9972 29.4686 177.0406 65 F 4.1457 8.2159 122.1104 61.4171 39.3248 176.8612 66 L 3.5405 7.9505 119.4095 57.3480 41.7442 178.5014 67 K 3.9860 8.3606 120.4458 59.5634 31.7239 178.9456 68 G 3.4761 7.6129 105.1223 47.6640 0.0000 176.0446 69 S 4.0965 7.4644 117.3636 61.3188 62.8884 176.8508 70 S 3.5715 8.1782 116.7216 61.3434 62.7269 176.2881 71 A 3.9999 8.2643 124.8197 54.7146 17.8931 179.5083 72 A 3.9627 7.4963 117.7654 54.5883 18.5137 178.9038 73 L 4.2163 7.4132 114.9462 54.4750 42.3428 177.8027 74 G 3.7545 7.7544 107.9962 46.0254 0.0000 174.1858 75 L 4.5878 7.5156 123.3987 53.0846 38.4179 177.4113 76 Q 4.1616 7.7900 120.2581 58.4642 29.3044 178.7740 77 R 4.0163 7.9013 120.3413 59.2916 30.3313 178.4904 78 I 3.8811 7.9200 118.9336 64.4701 37.1917 178.1158 79 A 4.1547 8.0835 122.8942 54.2806 18.2152 179.5013 80 W 4.0307 8.3622 126.8712 60.7159 30.7549 178.4122 81 V 3.6523 8.4313 118.2976 66.1968 31.0000 177.4774 82 C 4.0268 8.2923 116.5293 63.1353 27.9941 175.9224 83 E 3.9470 8.0536 120.5487 58.9737 29.1437 179.0658 84 R 3.6877 7.6104 118.2766 59.1408 30.0344 178.7427 85 I 3.5741 7.8174 119.8692 64.6798 37.2354 178.3355 86 Q 3.9664 8.0350 118.4659 59.1965 28.5295 178.8718 87 N 4.3627 8.0650 117.3898 56.1190 38.4476 177.5120 88 L 4.1882 8.4599 121.0611 57.8507 41.5897 179.7769 89 G 3.5852 8.1392 103.9454 46.6820 0.0000 174.8119 90 R 4.2820 7.3647 117.7604 54.8156 30.6357 176.1175 91 K 3.2225 7.6072 117.3524 57.6533 29.8323 176.3747 92 M 4.3822 8.3373 118.9141 56.0174 32.7196 176.5209 93 E 4.9437 7.9149 116.9061 55.0167 33.5111 174.5956 94 H 4.9721 8.4402 115.6779 54.9183 29.1157 173.0614 95 F 4.9988 8.1067 116.1916 57.2504 42.9830 174.0385 96 F 4.8105 8.5979 124.1638 56.2156 42.1900 172.6124 97 P 4.4491 0.0000 0.0000 62.2620 32.0987 176.1169 98 N 4.8229 8.7874 118.9692 51.9122 39.8218 176.2968 99 K 4.3874 8.3640 121.9301 59.4093 32.2623 178.6519 100 T 3.8580 7.9605 115.5186 66.6472 68.2284 176.0878 101 E 3.9310 8.0814 119.0358 59.5928 29.8256 179.3010 102 L 4.0444 7.7573 118.4325 57.8537 41.8056 179.9219 103 V 3.7895 8.2273 112.1944 63.6866 31.2825 177.6719 104 N 4.6104 7.9103 115.1491 54.7232 38.4390 176.1191 105 T 4.2256 7.6265 111.1458 60.9948 69.4710 174.5857 106 L 4.3276 7.2269 123.3276 54.6697 42.1801 177.4066 107 S 4.1348 8.5265 118.5941 60.6851 63.0301 173.7112 108 D 4.6070 7.7065 119.5912 51.8091 41.9047 175.2355 109 K 4.0859 8.4466 128.3345 58.2484 32.9926 178.9781 110 S 4.3056 8.0327 113.2771 60.6442 62.7677 176.1536 111 I 3.9061 7.3164 120.2830 63.1762 37.7683 176.2379 112 I 4.1406 7.8693 120.1169 62.5747 37.5616 175.6615 113 N 4.3067 8.4564 119.9430 54.6683 38.6501 175.6013 114 G 3.8871 9.5315 110.7957 45.7484 0.0000 172.8932 115 I 4.5669 7.2519 110.9931 58.6043 40.7276 174.2021 116 N 4.6110 8.6340 121.6649 52.5847 38.8242 175.7663 117 I 3.8574 8.4168 119.7943 62.9395 38.0922 176.2044 118 D 4.7614 8.4903 120.6542 53.8167 41.3844 177.4268 119 E 3.8619 8.1178 121.6668 59.3454 29.4807 177.4602 120 D 4.8213 7.8808 114.5022 53.9515 41.1770 176.2244 121 D 4.7105 8.0162 120.0076 54.6111 41.3055 175.6755 122 E 4.7865 9.0359 121.4567 54.4460 33.1981 174.6960 123 E 4.7553 8.5311 117.9038 54.4060 32.6776 174.1285 124 I 4.6190 8.0490 114.1115 59.8149 40.6190 175.2052 125 K 4.2586 8.1501 121.8390 54.4897 34.3350 169.7386 *132 D 4.3862 7.9169 121.8643 53.0856 41.8833 175.3160 133 E 3.9681 8.9899 127.4128 59.8415 29.5743 178.5165 134 N 4.6978 8.8227 116.1160 56.0239 38.4994 177.4501 135 S 4.1225 7.8378 117.2272 61.6367 62.9371 176.4595 136 I 3.5223 7.2188 120.9230 64.8371 36.7693 178.1452 137 Y 4.0971 7.5564 116.6983 60.8428 37.7316 178.1129 138 L 4.0118 8.2078 120.1391 57.9234 41.7169 179.6604 139 I 3.7346 7.8768 119.7577 64.1949 36.9020 178.5248 140 L 4.0575 7.7022 119.5889 57.6611 41.4408 179.5110 141 I 3.5093 8.0105 119.8193 64.0848 37.0192 178.1991 142 A 3.9068 8.1299 121.8214 55.0825 18.2041 179.6077 143 K 3.8765 7.9321 117.8524 59.6230 32.2600 178.9630 144 A 3.2741 7.7837 121.3665 54.4661 18.0522 179.3241 145 L 3.6964 8.3124 119.3133 58.3239 42.2771 178.8980 146 N 4.2157 8.0673 116.3429 56.3209 38.3540 176.9941 147 Q 4.0640 8.0393 120.7983 59.5754 29.1661 178.6922 148 S 4.2111 8.3425 116.3940 61.6902 62.7497 177.0076 149 R 3.7308 7.7590 120.8594 58.9222 29.6786 178.8696 150 L 4.0105 7.8719 119.8325 58.2672 42.1475 178.8652 151 E 4.0847 8.5409 118.8525 59.2062 29.2641 179.1851 152 F 4.5475 8.6611 120.8768 61.3580 39.4997 176.9690 153 K 3.7308 8.1811 119.2466 59.6654 31.9891 178.6692 154 L 3.9822 8.4281 119.2983 57.6692 41.4501 179.3909 155 A 4.0262 8.1654 120.8526 55.1369 18.3015 179.8534 156 R 3.8289 8.1220 116.7749 59.3448 30.1163 179.2736 157 I 3.6898 7.9575 119.6574 64.5298 37.2924 178.3277 158 E 4.0732 8.2853 119.1744 59.5331 29.2719 179.5050 159 L 4.2435 8.4316 119.3858 57.9287 41.6796 179.6601 160 S 4.8500 8.9187 117.1354 61.0756 62.8019 176.9717 161 K 4.0479 8.2554 121.4284 60.1741 32.0107 178.6003 162 Y 4.0248 7.8700 119.6772 60.2205 38.8683 176.5212 163 Y 4.2986 8.2322 114.5599 56.8758 38.6233 174.9262 164 N 4.2361 7.6877 115.0533 53.6525 37.2562 174.0145 165 T 4.4039 7.7032 108.7093 60.9161 70.8631 172.0647 166 N 4.4898 8.8221 125.4683 53.6148 38.3318 175.2265 167 L 4.2972 8.7625 123.5139 54.7329 41.8928 176.7608 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 S 8.32 4.49 0.00 3.65 3.72 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 3 T 8.30 4.17 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 1.15 0.00 0.00 4 I 7.51 2.09 0.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.25 0.38 0.00 0.00 5 P 0.00 4.32 0.00 2.01 1.91 0.00 3.55 0.00 0.00 3.26 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 6 S 8.47 4.36 0.00 3.79 3.81 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 7 E 7.81 4.62 0.00 1.99 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 0.00 2.32 2.33 0.00 8 I 8.54 3.84 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.91 0.00 0.00 9 I 7.39 4.40 1.35 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.42 -0.57 0.00 0.00 10 N 8.70 4.56 0.00 2.82 2.61 0.00 0.00 6.88 7.99 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 11 W 8.41 4.00 0.00 3.43 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 12 T 7.79 4.01 4.42 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 1.23 0.00 0.00 13 I 7.90 3.87 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.91 0.00 0.00 14 L 7.67 3.92 0.00 1.49 1.30 0.87 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.76 4.44 0.00 2.93 2.94 0.00 0.00 6.93 7.42 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 16 E 7.93 4.02 0.00 2.23 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 2.37 2.51 0.00 17 I 7.64 4.07 2.08 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 1.75 0.64 1.00 0.00 0.00 18 I 8.26 4.06 2.01 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 1.85 0.76 1.15 0.00 0.00 19 S 8.26 4.49 0.00 4.06 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 20 M 7.91 4.41 0.00 1.79 2.40 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 21 D 8.12 4.77 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 *26 D 8.45 4.66 0.00 2.80 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 27 F 8.23 4.23 0.00 3.21 3.34 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 28 S 9.63 3.58 0.00 4.00 4.30 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 29 K 7.88 3.40 0.00 1.49 1.67 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.20 1.00 7.81 30 G 8.11 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.62 3.83 0.00 1.29 1.49 0.90 0.78 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 32 I 7.96 3.73 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.92 0.00 0.00 33 I 7.93 3.72 1.96 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 1.37 0.57 0.90 0.00 0.00 34 Q 8.31 3.93 0.00 2.22 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 35 F 8.34 4.05 0.00 3.15 3.25 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 36 I 8.12 3.89 2.10 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 1.73 0.87 1.07 0.00 0.00 37 D 8.04 4.28 0.00 2.84 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 38 Q 8.11 3.84 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 39 A 7.48 2.96 -0.25 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 Q 7.65 3.78 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 41 T 7.76 3.83 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 1.15 0.00 0.00 42 T 7.75 3.82 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 1.24 0.00 0.00 43 F 7.98 4.49 0.00 3.03 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 44 A 8.12 4.03 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 45 Q 8.37 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 46 M 8.49 4.07 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 47 Q 8.45 3.92 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 48 R 8.18 3.86 0.00 2.03 2.01 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 Q 8.06 4.01 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 50 L 7.88 4.03 0.00 1.76 1.72 0.89 1.18 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 51 D 8.06 4.72 0.00 2.66 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 52 G 8.18 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 53 E 9.67 3.91 0.00 1.92 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 2.28 2.33 0.00 54 K 8.16 3.74 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.58 7.81 55 N 8.60 4.63 0.00 2.71 2.84 0.00 0.00 7.28 6.76 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 56 L 8.36 4.02 0.00 1.67 1.83 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.90 3.86 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 1.21 0.00 0.00 58 E 8.22 3.96 0.00 2.08 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 2.27 2.36 0.00 59 L 7.98 3.98 0.00 1.90 1.69 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.30 4.31 0.00 2.85 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 61 N 8.17 4.34 0.00 2.96 2.85 0.00 0.00 7.12 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 62 L 8.15 4.21 0.00 1.85 1.75 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.39 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 0.00 0.00 0.00 64 H 8.47 4.18 0.00 3.46 3.60 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 65 F 8.22 4.15 0.00 3.22 3.24 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 66 L 7.95 3.54 0.00 1.80 1.65 0.64 0.16 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 67 K 8.36 3.99 0.00 2.00 1.93 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.62 7.81 68 G 7.61 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.46 4.10 0.00 3.76 4.16 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 70 S 8.18 3.57 0.00 4.20 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 0.00 71 A 8.26 4.00 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 72 A 7.50 3.96 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 73 L 7.41 4.22 0.00 1.19 1.43 0.58 1.23 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 74 G 7.75 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 75 L 7.52 4.59 0.00 1.50 1.55 0.32 0.60 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 76 Q 7.79 4.16 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.60 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 77 R 7.90 4.02 0.00 1.93 2.17 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 78 I 7.92 3.88 2.17 0.00 0.00 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 1.87 1.10 1.19 0.00 0.00 79 A 8.08 4.15 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 80 W 8.36 4.03 0.00 3.54 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.43 3.65 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 1.17 0.00 0.00 1.46 0.00 0.00 82 C 8.29 4.03 0.00 3.27 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 83 E 8.05 3.95 0.00 2.01 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 2.14 2.26 0.00 84 R 7.61 3.69 0.00 1.89 1.94 0.00 2.21 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.91 0.00 85 I 7.82 3.57 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 1.36 0.60 0.88 0.00 0.00 86 Q 8.03 3.97 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 87 N 8.06 4.36 0.00 2.91 2.86 0.00 0.00 7.06 6.88 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 88 L 8.46 4.19 0.00 1.80 1.79 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.14 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 0.00 0.00 0.00 90 R 7.36 4.28 0.00 1.89 1.90 0.00 3.34 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 91 K 7.61 3.22 0.00 1.57 1.31 0.00 1.39 0.00 0.00 1.18 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.90 7.81 92 M 8.34 4.38 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 93 E 7.91 4.94 0.00 1.97 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 2.26 2.30 0.00 94 H 8.44 4.97 0.00 2.75 3.22 0.00 5.49 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.11 5.00 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.60 4.81 0.00 3.00 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 97 P 0.00 4.45 0.00 1.85 1.94 0.00 2.25 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 98 N 8.79 4.82 0.00 3.05 3.01 0.00 0.00 6.96 5.90 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 99 K 8.36 4.39 0.00 1.90 1.88 0.00 1.96 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.63 7.81 100 T 7.96 3.86 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 1.21 0.00 0.00 101 E 8.08 3.93 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 102 L 7.76 4.04 0.00 1.77 1.69 0.73 0.74 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 0.00 103 V 8.23 3.79 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 1.02 0.00 0.00 0.97 0.00 0.00 104 N 7.91 4.61 0.00 2.93 2.84 0.00 0.00 6.96 7.12 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 0.00 105 T 7.63 4.23 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 1.08 0.00 0.00 106 L 7.23 4.33 0.00 1.76 1.65 0.96 0.86 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 0.00 107 S 8.53 4.13 0.00 4.00 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 0.00 108 D 7.71 4.61 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.09 0.00 1.82 1.78 0.00 1.78 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.42 7.81 110 S 8.03 4.31 0.00 4.00 4.13 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 0.00 111 I 7.32 3.91 1.89 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 1.32 1.11 0.97 0.00 0.00 112 I 7.87 4.14 2.06 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 1.31 0.43 0.92 0.00 0.00 113 N 8.46 4.31 0.00 2.74 2.75 0.00 0.00 6.82 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 0.00 114 G 9.53 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 0.00 115 I 7.25 4.57 1.88 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 1.27 0.74 0.92 0.00 0.00 116 N 8.63 4.61 0.00 2.83 2.90 0.00 0.00 6.86 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.42 3.86 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.93 0.00 0.00 118 D 8.49 4.76 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.12 3.86 0.00 2.04 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 2.35 2.33 0.00 120 D 7.88 4.82 0.00 2.72 2.69 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 0.00 121 D 8.02 4.71 0.00 2.74 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.04 4.79 0.00 1.96 1.79 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 2.22 2.34 0.00 123 E 8.53 4.76 0.00 2.02 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 2.15 2.24 0.00 124 I 8.05 4.62 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 1.26 0.73 0.93 0.00 0.00 125 K 8.15 4.26 0.00 1.80 1.61 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.11 0.76 7.81 *132 D 7.92 4.39 0.00 2.69 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 0.00 133 E 8.99 3.97 0.00 2.11 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 0.00 2.54 2.48 0.00 134 N 8.82 4.70 0.00 3.05 2.91 0.00 0.00 7.05 8.20 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 0.00 135 S 7.84 4.12 0.00 3.89 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 0.00 136 I 7.22 3.52 1.16 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 1.35 0.94 0.49 0.00 0.00 137 Y 7.56 4.10 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 8.21 4.01 0.00 1.84 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.88 3.73 2.03 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 1.50 0.62 0.90 0.00 0.00 140 L 7.70 4.06 0.00 1.82 1.74 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.01 3.51 1.96 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 1.39 0.79 0.85 0.00 0.00 142 A 8.13 3.91 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 0.00 143 K 7.93 3.88 0.00 1.97 2.01 0.00 1.75 0.00 0.00 1.89 0.00 0.00 3.31 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.73 1.57 7.81 144 A 7.78 3.27 0.48 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 0.00 145 L 8.31 3.70 0.00 1.67 1.80 0.70 0.71 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 0.00 146 N 8.07 4.22 0.00 2.96 3.00 0.00 0.00 6.69 6.60 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 0.00 147 Q 8.04 4.06 0.00 2.51 2.50 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 2.78 2.68 0.00 148 S 8.34 4.21 0.00 3.57 3.80 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 0.00 149 R 7.76 3.73 0.00 1.93 1.95 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.26 0.00 150 L 7.87 4.01 0.00 1.83 1.92 0.96 0.79 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 0.00 151 E 8.54 4.08 0.00 2.35 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 2.66 2.64 0.00 152 F 8.66 4.55 0.00 3.50 3.47 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 0.00 153 K 8.18 3.73 0.00 2.03 1.99 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.43 3.98 0.00 1.89 1.73 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.17 4.03 1.46 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 0.00 0.00 156 R 8.12 3.83 0.00 1.88 1.87 0.00 2.21 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 157 I 7.96 3.69 2.06 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 1.53 0.95 0.94 0.00 0.00 158 E 8.29 4.07 0.00 2.17 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 2.54 2.55 0.00 159 L 8.43 4.24 0.00 1.80 1.97 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.92 4.85 0.00 4.10 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 0.00 161 K 8.26 4.05 0.00 2.04 2.12 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.74 1.59 7.81 162 Y 7.87 4.02 0.00 3.14 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 0.00 163 Y 8.23 4.30 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.69 4.24 0.00 2.90 2.88 0.00 0.00 6.66 7.42 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 0.00 165 T 7.70 4.40 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 1.33 0.00 0.00 166 N 8.82 4.49 0.00 2.74 2.79 0.00 0.00 6.89 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 0.00 167 L 8.76 4.30 0.00 1.60 1.54 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.