NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Q 4.6401 8.3449 119.6445 55.9337 30.0311 173.9717 6 L 4.3164 8.9042 125.6260 53.0529 44.1868 174.1433 7 H 5.4854 8.8061 120.5189 54.5999 31.9852 172.8687 8 Y 5.4332 9.3895 118.9461 57.2769 43.3268 173.6998 9 R 5.1900 8.9976 119.6608 54.6305 33.3582 175.2264 10 L 5.3544 8.7853 121.1698 53.2384 44.9318 176.1056 11 R 5.1384 8.6110 120.0366 54.5845 34.7675 174.8849 12 D 4.6572 8.9873 123.1018 52.1837 40.8638 177.1541 13 E 3.8299 8.1410 116.8903 59.4351 29.3881 177.9803 14 Q 4.2753 8.0535 115.9036 55.5677 28.6642 175.5338 15 Q 3.6815 8.1776 115.6972 56.8314 26.8824 173.6554 16 K 4.3584 8.1785 117.2173 56.2124 33.6306 176.4390 17 S 5.1893 9.1436 119.4804 57.0327 66.1811 172.9389 18 L 5.2013 8.3943 121.5676 53.7727 43.5454 176.1430 19 V 4.7618 8.9644 115.9635 59.4577 36.4680 174.0223 20 L 4.9246 8.4116 124.7359 53.9368 43.3315 175.6630 21 S 4.4907 9.1117 121.8622 58.2119 65.2200 176.9630 22 D 3.9811 8.2337 123.1338 56.2676 41.7823 177.5704 23 P 4.6001 0.0000 0.0000 63.1212 30.9961 175.4208 24 Y 3.4965 7.8734 111.3956 60.5422 35.3101 169.9227 25 E 4.8571 8.3654 118.9121 54.4576 33.8304 174.3432 26 L 5.1263 8.5662 125.1394 53.3098 44.3779 175.5351 27 K 5.2617 9.1551 120.9623 54.6260 36.9228 174.8371 28 A 5.4278 8.5454 123.5507 50.2172 21.8083 175.5042 29 L 4.5841 8.9930 121.9294 54.2555 44.9980 175.0646 30 H 4.8988 9.3002 117.7212 55.3448 28.8319 175.3702 31 L 4.7979 8.5845 123.1992 52.7557 44.8990 175.9377 32 N 4.8755 8.3265 118.9475 50.7931 39.6429 175.7739 33 G 3.7615 8.6219 106.4169 48.8113 0.0000 175.0247 34 Q 4.1432 7.9237 117.7422 58.5171 29.0381 176.5602 35 N 4.8765 7.7711 114.7875 53.3222 38.5387 176.1686 36 I 4.1024 7.6307 119.9774 62.8624 38.2778 178.3503 37 N 4.3344 8.2769 117.4762 55.9964 36.9977 176.4421 38 Q 4.0961 7.9661 116.1634 57.8682 29.1608 176.7600 39 Q 4.3187 7.4034 116.4072 55.8200 29.2519 176.3065 40 V 3.6248 8.1484 122.3180 62.9126 32.3173 175.1644 41 I 4.5614 8.0618 127.9569 59.8578 39.3487 174.5433 42 F 5.2979 9.5005 125.7190 56.0031 42.1113 174.9885 43 S 5.2495 8.8762 118.2016 57.3423 64.8494 172.7932 44 M 5.2107 9.8912 126.6667 53.4166 34.4316 174.8913 45 S 5.0949 8.4099 118.2369 56.6809 66.8539 172.8692 46 F 4.7370 9.0910 125.1782 58.3548 40.0087 174.2574 47 V 4.5138 7.2833 125.2908 60.6047 33.8531 175.0490 48 Q 3.8917 8.6866 127.1172 56.5314 28.7035 175.7180 49 G 3.8056 8.1867 116.5219 44.4328 0.0000 168.8678 50 E 4.6920 8.1402 118.6355 55.0219 32.8406 172.6351 51 P 3.8823 0.0000 0.0000 59.8225 31.9404 176.8501 52 S 4.3655 8.4319 116.4773 59.0326 62.7186 172.5446 53 N 3.8366 10.0446 122.2800 53.6314 39.1571 173.9915 54 D 4.5719 8.2291 117.3606 55.6952 37.5125 173.5085 55 K 5.4588 8.0674 116.5257 53.7072 35.5424 175.9930 56 I 4.6507 8.2752 125.2038 58.6774 40.0655 172.9649 57 P 4.9773 0.0000 0.0000 62.8810 32.5498 175.7967 58 V 5.0635 9.3443 116.2273 59.9389 36.8292 173.5780 59 A 5.5448 8.9524 123.1524 49.5177 22.4331 175.5819 60 L 4.9084 8.9040 119.7373 53.1261 44.7237 176.1691 61 G 3.6900 8.9663 110.9663 44.0339 0.0000 171.1659 62 L 4.8076 8.0822 119.9649 52.4625 43.2591 176.9503 63 K 3.8545 7.9773 125.0776 57.3819 32.4159 176.7629 64 G 3.9330 8.9510 112.6851 45.7335 0.0000 172.9596 65 K 4.6773 7.9052 117.6362 54.4436 36.2886 175.6042 66 N 4.9768 8.3952 117.2608 53.3263 37.1965 174.7867 67 L 5.2284 7.5644 118.2813 54.2375 45.6677 176.6036 68 Y 5.0663 9.0659 120.6962 55.7379 42.3421 175.0381 69 L 4.8228 8.9453 122.9643 55.4286 43.0234 176.2025 70 S 4.9253 9.6587 116.7887 57.1486 66.7649 172.2038 71 C 5.4924 8.2566 120.1824 58.2670 31.3610 174.1311 72 V 4.6883 8.7847 115.6033 60.0054 36.5798 174.0797 73 M 4.5242 8.6250 122.3032 54.5963 32.7629 176.1748 74 K 4.3814 8.7042 125.3061 55.7448 35.3184 175.7607 75 D 4.6778 9.3191 125.8365 55.7551 37.9790 173.7069 76 G 3.9935 8.3688 102.6571 46.3213 0.0000 173.8018 77 T 4.4527 7.4398 111.8656 59.1592 71.3246 171.0915 78 P 3.8979 0.0000 0.0000 62.6886 31.6699 175.8482 79 T 4.7173 8.9580 120.8837 61.5802 72.6400 172.5684 80 L 5.2531 8.6258 126.5949 54.0004 43.9665 175.1548 81 Q 4.7087 9.3410 122.9913 55.0103 33.1461 173.1522 82 L 5.2100 8.5649 118.5914 53.2305 43.6405 175.8109 83 E 4.7180 9.5497 125.9613 54.4059 32.1503 175.2090 84 S 5.2455 8.4928 121.6880 57.8979 64.0304 173.7053 85 V 4.4436 8.0103 114.8159 59.3648 36.3091 174.4367 86 D 4.4310 8.6436 122.0271 53.6112 41.1054 175.3070 87 P 4.4785 0.0000 0.0000 65.1902 31.3623 177.4239 88 K 4.2471 7.9304 117.8066 58.1344 32.3879 177.7122 89 Q 4.2743 8.0385 116.0258 56.3599 29.4048 175.1906 90 Y 4.4643 7.8075 115.0721 55.1859 40.2158 173.7196 91 P 4.6277 0.0000 0.0000 62.0842 32.8205 174.6705 92 K 4.6042 7.6327 116.5319 54.5191 36.3129 177.0781 93 K 4.1437 8.5463 118.9443 59.0050 32.2392 177.2500 94 K 4.6473 7.5042 119.2004 54.9853 30.8045 174.9759 95 M 4.2388 7.8619 121.6877 54.3151 33.5740 175.9877 96 E 4.1754 8.8464 124.3885 56.0297 30.4361 177.8670 97 K 3.7671 8.8574 123.6551 59.5613 32.2447 178.8301 98 R 3.7119 7.7697 114.4832 58.2710 29.5117 177.5725 99 F 4.9544 8.0970 115.5253 56.7965 39.5770 174.7953 100 V 4.5210 7.3805 123.1658 61.8294 32.8381 174.6303 101 F 5.3104 9.2996 126.5261 55.7827 42.7979 174.1313 102 N 5.1841 9.6313 121.4002 51.8904 39.7997 174.3357 103 K 4.3679 9.3208 127.5572 56.0846 33.5789 175.6235 104 I 5.0136 8.5558 128.2575 58.5278 40.4837 174.1907 105 E 4.7626 8.7621 126.5319 54.9055 31.0009 176.0783 106 V 4.0216 8.7572 124.7462 61.3556 33.1499 175.0637 107 K 3.9593 9.3996 129.3264 57.5554 28.9921 176.6340 108 S 4.2384 8.0552 112.1520 58.3114 62.1137 170.3416 109 K 4.8917 7.7416 119.4274 54.5563 35.0021 175.6177 110 V 4.8455 9.0317 121.6385 60.0262 34.6616 174.4120 111 E 5.1811 9.2616 121.9548 54.7346 33.9032 175.0775 112 F 5.3188 8.9488 120.9121 55.8061 41.6711 173.0991 113 E 4.5276 9.1788 125.6848 54.8101 31.0990 175.3258 114 S 4.1373 9.3465 122.8960 58.2880 62.3515 174.1069 115 A 4.0121 8.6416 129.8876 54.7787 18.1656 178.5031 116 E 3.6544 7.9138 115.5055 58.1713 30.2639 176.4922 117 F 4.7216 7.5845 117.5155 53.7535 39.4483 171.4673 118 P 4.4189 0.0000 0.0000 64.2954 31.5882 176.5156 119 N 4.4302 10.9700 118.1275 53.0166 36.8604 173.2895 120 W 5.0451 7.8924 118.7900 55.1070 31.7711 174.4949 121 Y 5.5207 9.2941 122.1017 55.7807 41.6545 175.1268 122 I 4.3303 8.8320 122.9195 61.9004 37.6517 176.0031 123 S 5.1328 9.1615 122.9025 56.8008 67.2756 173.0917 124 T 5.2176 8.3593 110.9713 60.2624 72.1970 174.1059 125 S 5.0197 8.8470 119.4535 57.7863 64.5436 174.4122 126 Q 4.0926 8.5559 119.4312 58.6452 28.7747 177.1371 127 A 4.1973 7.7522 118.8197 51.9357 19.4836 175.8716 128 E 4.3565 8.4059 120.0448 55.8947 31.2805 175.9675 129 H 4.0749 8.0137 115.9650 56.3668 27.0680 175.2471 130 K 4.6937 7.3432 118.6062 54.4631 34.0363 174.5633 131 P 4.9264 0.0000 0.0000 62.7102 32.5019 175.8781 132 V 4.4984 8.4699 121.7785 62.9026 32.5319 174.9910 133 F 5.1315 8.9892 121.1641 55.6123 42.2219 172.2751 134 L 5.0696 8.9575 120.8092 53.8563 42.9506 175.7696 135 G 4.4636 9.2157 113.2982 43.9858 0.0000 172.0386 136 N 4.5432 8.0285 114.5343 51.3309 38.1591 174.5057 137 N 3.9908 7.9558 112.6472 55.5732 37.1257 173.2853 138 S 4.7387 8.3668 114.0280 56.4855 65.7104 173.9696 139 G 3.9394 7.9698 109.8010 44.7925 0.0000 173.7172 *141 Q 4.3440 8.5582 121.9152 55.6680 30.7742 175.8705 142 D 4.7715 7.8543 116.2408 55.1645 41.8998 176.6332 143 I 4.4672 8.6116 122.5269 59.4864 39.4873 175.8960 144 I 4.6413 8.2938 118.2461 60.3840 39.1128 174.6328 145 D 5.2071 7.5716 122.9884 52.9492 43.5335 175.1929 146 F 5.4335 9.0502 119.7645 56.3056 44.1067 173.4612 147 T 4.9430 9.1537 117.0206 62.1952 71.1869 173.3814 148 M 4.9035 8.6661 124.4948 53.4623 34.9117 174.7094 149 E 4.7625 8.8174 123.8184 54.2115 32.2069 175.3751 150 S 4.5330 9.0977 123.4385 58.7458 63.9021 174.6090 151 V 4.0339 7.8118 121.9312 63.0451 31.0599 175.1780 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 5 Q 8.34 4.64 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 6 L 8.90 4.32 0.00 1.79 1.35 1.12 0.62 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 7 H 8.81 5.49 0.00 3.05 3.16 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 9.39 5.43 0.00 2.92 2.93 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 9 R 9.00 5.19 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 10 L 8.79 5.35 0.00 1.56 1.45 -0.33 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.61 5.14 0.00 1.77 1.85 0.00 3.17 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 12 D 8.99 4.66 0.00 2.21 2.62 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 13 E 8.14 3.83 0.00 2.06 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 2.15 2.20 0.00 14 Q 8.05 4.28 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 15 Q 8.18 3.68 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 16 K 8.18 4.36 0.00 1.87 1.81 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.89 1.26 7.81 17 S 9.14 5.19 0.00 3.74 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 18 L 8.39 5.20 0.00 1.81 1.69 1.14 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.96 4.76 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 0.70 0.00 0.00 0.95 0.00 0.00 20 L 8.41 4.92 0.00 1.53 1.49 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.11 4.49 0.00 3.75 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 22 D 8.23 3.98 0.00 2.70 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 23 P 0.00 4.60 0.00 2.25 2.19 0.00 3.94 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 24 Y 7.87 3.50 0.00 3.20 3.06 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 25 E 8.37 4.86 0.00 2.08 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 2.25 2.33 0.00 26 L 8.57 5.13 0.00 1.72 1.62 1.08 0.81 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 27 K 9.16 5.26 0.00 1.69 1.87 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.41 7.81 28 A 8.55 5.43 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 29 L 8.99 4.58 0.00 1.70 1.62 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.30 4.90 0.00 3.13 3.30 0.00 5.79 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.58 4.80 0.00 1.61 1.55 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.33 4.88 0.00 2.87 2.98 0.00 0.00 5.98 7.08 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 33 G 8.62 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 34 Q 7.92 4.14 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.47 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 N 7.77 4.88 0.00 2.67 2.83 0.00 0.00 7.07 7.96 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 36 I 7.63 4.10 2.07 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 1.66 1.15 0.92 0.00 0.00 37 N 8.28 4.33 0.00 2.80 2.96 0.00 0.00 6.09 7.39 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 38 Q 7.97 4.10 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 39 Q 7.40 4.32 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 40 V 8.15 3.62 1.51 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 0.06 0.00 0.00 0.74 0.00 0.00 41 I 8.06 4.56 1.79 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 1.34 0.57 0.99 0.00 0.00 42 F 9.50 5.30 0.00 2.87 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 43 S 8.88 5.25 0.00 3.79 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 44 M 9.89 5.21 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 45 S 8.41 5.09 0.00 4.00 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 46 F 9.09 4.74 0.00 3.14 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 47 V 7.28 4.51 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 0.74 0.00 0.00 0.91 0.00 0.00 48 Q 8.69 3.89 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.37 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 49 G 8.19 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 0.00 0.00 0.00 50 E 8.14 4.69 0.00 2.02 1.92 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 2.14 2.22 0.00 51 P 0.00 3.88 0.00 2.10 2.01 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 52 S 8.43 4.37 0.00 4.05 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 53 N 10.04 3.84 0.00 2.82 3.09 0.00 0.00 6.88 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 54 D 8.23 4.57 0.00 2.89 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 55 K 8.07 5.46 0.00 1.60 1.70 0.00 1.76 0.00 0.00 2.38 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.28 7.81 56 I 8.28 4.65 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 1.13 0.00 0.00 57 P 0.00 4.98 0.00 1.99 2.09 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 58 V 9.34 5.06 2.26 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 0.84 0.00 0.00 1.21 0.00 0.00 59 A 8.95 5.54 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 60 L 8.90 4.91 0.00 1.43 1.38 -0.33 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.97 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.08 4.81 0.00 1.62 1.45 0.82 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.98 3.85 0.00 1.64 1.73 0.00 1.22 0.00 0.00 1.32 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.26 7.81 64 G 8.95 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 65 K 7.91 4.68 0.00 1.71 1.62 0.00 1.60 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.30 1.47 7.81 66 N 8.40 4.98 0.00 2.95 3.06 0.00 0.00 5.75 6.67 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 67 L 7.56 5.23 0.00 1.52 1.59 0.93 1.02 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 Y 9.07 5.07 0.00 3.03 3.06 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 69 L 8.95 4.82 0.00 1.91 1.81 0.73 0.63 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 70 S 9.66 4.93 0.00 3.84 3.57 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 71 C 8.26 5.49 0.00 2.82 3.06 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 72 V 8.78 4.69 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 0.64 0.00 0.00 0.90 0.00 0.00 73 M 8.63 4.52 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 74 K 8.70 4.38 0.00 1.64 1.53 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.36 7.81 75 D 9.32 4.68 0.00 2.82 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 76 G 8.37 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 77 T 7.44 4.45 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 1.24 0.00 0.00 78 P 0.00 3.90 0.00 0.49 0.49 0.00 2.65 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.93 0.00 79 T 8.96 4.72 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 1.23 0.00 0.00 80 L 8.63 5.25 0.00 1.79 1.69 1.25 0.74 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 81 Q 9.34 4.71 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 82 L 8.56 5.21 0.00 1.68 1.83 1.03 0.90 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 83 E 9.55 4.72 0.00 2.03 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 2.32 2.27 0.00 84 S 8.49 5.25 0.00 3.81 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 85 V 8.01 4.44 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 0.00 0.00 0.24 0.00 0.00 0.56 0.00 0.00 86 D 8.64 4.43 0.00 2.74 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 87 P 0.00 4.48 0.00 2.26 2.23 0.00 3.86 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 88 K 7.93 4.25 0.00 1.78 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.43 7.81 89 Q 8.04 4.27 0.00 2.23 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 90 Y 7.81 4.46 0.00 2.89 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 91 P 0.00 4.63 0.00 2.23 2.31 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 92 K 7.63 4.60 0.00 1.49 1.51 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.49 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.92 0.48 7.81 93 K 8.55 4.14 0.00 1.83 1.91 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.50 7.81 94 K 7.50 4.65 0.00 1.67 1.73 0.00 1.86 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.44 7.81 95 M 7.86 4.24 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 96 E 8.85 4.18 0.00 2.35 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 2.52 2.44 0.00 97 K 8.86 3.77 0.00 1.73 1.71 0.00 1.46 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.66 1.34 7.81 98 R 7.77 3.71 0.00 1.90 1.92 0.00 2.58 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.00 99 F 8.10 4.95 0.00 3.10 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 0.00 100 V 7.38 4.52 2.11 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 0.99 0.00 0.00 0.99 0.00 0.00 101 F 9.30 5.31 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 9.63 5.18 0.00 2.65 2.80 0.00 0.00 6.45 7.97 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 0.00 103 K 9.32 4.37 0.00 1.89 1.76 0.00 1.44 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 0.82 7.81 104 I 8.56 5.01 1.86 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 1.27 1.47 0.91 0.00 0.00 105 E 8.76 4.76 0.00 1.81 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 2.15 2.23 0.00 106 V 8.76 4.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.89 0.00 0.00 107 K 9.40 3.96 0.00 1.87 1.80 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.48 7.81 108 S 8.06 4.24 0.00 4.04 4.09 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 0.00 109 K 7.74 4.89 0.00 1.82 1.66 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.33 7.81 110 V 9.03 4.85 1.96 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 0.82 0.00 0.00 0.42 0.00 0.00 111 E 9.26 5.18 0.00 1.83 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 112 F 8.95 5.32 0.00 2.86 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 0.00 113 E 9.18 4.53 0.00 2.01 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 2.01 1.47 0.00 114 S 9.35 4.14 0.00 3.96 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 0.00 115 A 8.64 4.01 1.18 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 0.00 116 E 7.91 3.65 0.00 1.50 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 1.61 1.47 0.00 117 F 7.58 4.72 0.00 3.05 2.64 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 0.00 118 P 0.00 4.42 0.00 2.08 2.01 0.00 3.76 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 2.02 2.09 0.00 119 N 10.97 4.43 0.00 3.14 3.02 0.00 0.00 6.66 7.55 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 0.00 120 W 7.89 5.05 0.00 3.59 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 0.00 121 Y 9.29 5.52 0.00 2.89 2.93 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 0.00 122 I 8.83 4.33 1.91 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.67 0.00 0.00 123 S 9.16 5.13 0.00 2.72 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 0.00 124 T 8.36 5.22 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 125 S 8.85 5.02 0.00 3.96 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 0.00 126 Q 8.56 4.09 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 127 A 7.75 4.20 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 0.00 128 E 8.41 4.36 0.00 2.01 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 1.81 2.12 0.00 129 H 8.01 4.07 0.00 3.39 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.34 4.69 0.00 1.82 1.72 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.52 7.81 131 P 0.00 4.93 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 132 V 8.47 4.50 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 0.96 0.00 0.00 1.07 0.00 0.00 133 F 8.99 5.13 0.00 3.22 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 0.00 134 L 8.96 5.07 0.00 1.84 1.85 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.22 4.46 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 0.00 136 N 8.03 4.54 0.00 2.05 1.42 0.00 0.00 6.37 8.04 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 0.00 137 N 7.96 3.99 0.00 2.67 2.77 0.00 0.00 7.11 7.63 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 0.00 138 S 8.37 4.74 0.00 4.01 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 0.00 139 G 7.97 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 *141 Q 8.56 4.34 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 142 D 7.85 4.77 0.00 2.61 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 0.00 143 I 8.61 4.47 1.83 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 1.18 0.91 0.57 0.00 0.00 144 I 8.29 4.64 1.67 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.73 0.00 0.00 145 D 7.57 5.21 0.00 2.43 2.48 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 0.00 146 F 9.05 5.43 0.00 2.98 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 0.00 147 T 9.15 4.94 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 1.27 0.00 0.00 148 M 8.67 4.90 0.00 1.50 1.81 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 149 E 8.82 4.76 0.00 2.14 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 2.27 2.32 0.00 150 S 9.10 4.53 0.00 3.84 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 0.00 151 V 7.81 4.03 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 0.71 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.