NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1687 8.1849 120.6508 54.4374 44.1647 177.0746 *4 K 4.1685 7.5796 117.5915 55.7272 34.4194 176.5579 5 V 3.8774 8.3485 120.4242 66.4152 31.5077 178.3193 6 A 4.3363 7.9607 121.2724 54.7269 18.1776 179.3355 7 E 4.0150 8.0548 116.7010 59.3029 29.6664 179.2482 8 F 4.3235 8.3335 117.8722 60.8113 38.5747 177.4049 9 E 4.1706 8.6784 118.2645 59.5802 29.1973 179.5281 10 R 3.9939 8.2860 118.5392 59.5602 30.1244 178.6124 11 L 4.0755 8.3547 118.9651 57.8803 41.5938 179.5527 12 F 4.0777 8.6471 117.8403 60.3440 38.7123 178.0932 13 R 4.0215 8.1921 117.6462 59.5655 29.8366 179.1135 14 Q 3.9983 8.2835 116.3933 58.6532 28.7000 178.4013 15 A 4.3024 8.1880 121.1253 54.1905 18.8704 178.0719 16 A 4.5589 7.3650 114.3122 50.9095 20.8709 175.6284 17 G 3.9960 8.3537 104.3213 47.1310 0.0000 173.9314 18 L 5.0299 8.0455 117.7630 52.8379 44.1953 176.2647 19 D 5.0838 9.1896 121.3214 52.9736 43.5682 176.0091 20 V 4.5535 8.0732 113.7545 59.7681 35.8888 174.5888 21 D 4.9252 8.9452 123.8454 51.1675 42.2142 177.0896 22 K 3.8173 8.5695 117.2560 60.0046 31.3822 178.9697 23 N 4.2721 7.9180 116.2476 56.4228 38.3580 177.2137 24 D 4.0056 7.8162 119.5780 57.3163 41.0646 178.3783 25 L 3.4444 7.5446 119.3250 57.6463 41.7264 179.6649 26 K 3.7968 7.6416 119.0646 59.3733 32.1155 178.9157 27 R 3.7925 7.3446 118.6565 59.2688 29.9558 178.6220 28 V 3.2340 7.8457 118.4455 65.8654 31.4830 177.8064 29 S 4.1608 8.2347 113.1222 61.6873 62.1889 175.9143 30 D 4.3767 7.9243 121.0751 57.1687 40.5108 178.5674 31 F 4.1323 8.2024 121.1423 61.4730 39.3828 177.3167 32 L 3.8530 8.1617 118.6979 57.2953 41.3414 179.4529 33 R 3.8712 8.3746 119.3899 59.6014 29.9859 178.3512 34 N 4.4516 8.2839 116.3533 56.2207 38.4782 177.6197 35 K 3.8789 7.7161 119.9869 59.2742 32.1084 179.2081 36 L 3.9439 8.2765 121.0914 58.1529 41.9683 178.2835 37 Y 4.0638 8.5201 119.9765 60.9287 38.7597 177.9006 38 D 4.2990 8.4644 119.9328 57.1999 40.7914 178.7536 39 L 3.9478 7.7537 119.5062 57.8643 41.5543 179.6194 40 L 3.8705 7.8152 118.6484 57.5588 41.3489 179.4187 41 A 3.7210 7.8980 121.2670 55.0498 18.2239 179.9109 42 V 3.4977 7.8512 116.5711 65.8276 31.5448 178.1167 43 A 4.5154 8.0057 122.2257 54.5523 18.1890 179.1586 44 E 3.8474 8.4066 118.1587 59.4442 29.6720 179.0195 45 R 3.9168 7.7338 118.7716 59.6111 30.2284 178.3018 46 N 4.3706 8.3628 116.1671 55.9640 38.5130 177.3140 47 A 4.0704 8.4942 122.7170 55.3004 18.5592 179.8652 48 K 3.9733 8.2402 117.0200 59.7700 31.8609 178.9330 49 Y 4.0915 8.0889 119.1044 60.1963 38.6590 176.8761 50 N 4.8966 7.9512 115.1419 52.2982 38.9916 175.1006 51 G 3.9296 7.8674 107.4863 46.7337 0.0000 174.2837 52 R 4.7833 8.0175 117.4011 54.1940 32.5705 175.7495 53 D 5.0093 8.5906 118.8383 52.6324 39.8816 175.4960 54 L 4.7700 7.6513 120.0186 54.3969 45.4958 174.9486 55 I 4.3903 8.4107 127.0532 60.6998 38.7758 175.3501 56 F 4.7915 9.4089 125.7346 55.2626 42.1824 176.4579 57 E 3.9471 9.1327 119.9862 59.2165 29.3423 177.2312 58 P 4.3921 0.0000 0.0000 65.3183 31.8850 177.3818 59 D 4.4880 8.1775 118.2033 56.7934 40.9635 176.7436 60 L 4.3354 7.6499 119.9624 54.1087 42.2643 176.5385 61 P 4.4358 0.0000 0.0000 61.6488 29.7209 175.4695 62 I 4.0903 7.2855 121.0461 60.3534 37.6398 176.5833 63 A 4.2170 8.1318 127.5887 51.1756 20.3321 177.2064 64 K 3.8546 8.7690 122.2326 59.9736 32.0572 179.3615 65 G 3.5565 7.9955 105.1605 47.7445 0.0000 175.3125 66 L 3.9953 7.8092 122.2962 57.7092 42.1294 178.6406 67 Q 3.9407 8.1088 119.7885 59.1073 28.9164 177.8048 68 E 3.9461 8.4786 120.6020 59.6218 29.6445 178.9743 69 T 3.9070 7.8880 115.9088 66.3323 68.3727 176.4453 70 L 4.0773 8.1125 122.5023 58.4061 41.9288 179.1445 71 Q 4.0308 8.1385 116.9590 58.7401 28.7523 178.0451 72 E 4.0792 8.4762 120.8619 59.1175 29.4845 178.5840 73 F 4.1614 8.4204 119.9008 61.5763 39.5992 177.0390 74 R 3.6815 8.1394 116.3787 58.5524 31.0880 178.4232 75 R 4.1131 7.1218 119.0993 54.7615 27.4320 176.4491 *77 D 4.3048 7.6012 115.4856 54.8030 42.7615 176.7859 78 T 4.3561 7.1358 114.6653 61.2232 69.5562 172.4807 79 A 4.2127 8.2476 127.6372 51.5220 19.2158 177.0895 80 L 4.7595 8.3414 123.0761 52.8313 43.9247 176.4855 81 E 4.2427 8.4015 121.5140 56.0554 30.6165 177.6114 82 L 4.0822 8.5048 123.4586 58.0473 42.2865 178.9755 83 K 3.8119 8.0803 119.1620 59.4067 32.0639 176.6522 84 P 4.3420 0.0000 0.0000 65.4112 31.0907 178.8611 85 V 3.5666 7.6413 116.6683 66.0473 31.6179 177.9697 86 L 3.9933 7.8584 118.7194 57.8185 41.1777 179.2977 87 D 4.3168 8.3871 118.2855 57.2203 41.1865 178.2996 88 A 4.1414 8.0828 121.2086 55.3203 18.4489 179.7795 89 L 4.0248 8.3192 117.1498 57.3963 41.4345 179.2216 90 A 4.1437 7.7139 119.4845 54.0482 18.3738 178.7917 91 A 4.0779 7.7208 117.9217 52.8123 18.6675 177.1696 92 L 4.4408 6.7556 116.5553 51.5675 44.1119 174.5829 93 P 4.2845 0.0000 0.0000 62.2950 31.6612 175.0221 94 P 4.5035 0.0000 0.0000 62.3972 32.0285 176.2669 95 L 4.3436 8.2260 120.5817 54.6459 42.4703 177.0207 96 D 4.4995 9.2474 120.7717 56.6491 41.0534 177.5230 97 L 4.5928 7.8304 117.0437 53.2518 43.5512 175.9404 98 E 4.3747 8.3211 120.7504 56.1651 31.1523 176.0388 99 V 4.4918 8.0445 114.7080 60.0660 33.5179 175.9791 100 A 3.9563 8.6119 125.8139 51.4000 19.4265 178.5425 101 E 3.8820 8.8636 118.5039 60.0425 29.2745 179.8260 102 D 4.4400 8.0658 118.0136 56.9898 40.9067 178.8356 103 V 3.6299 7.6310 118.6777 65.6536 31.4349 177.8819 104 R 3.9005 7.7250 116.8748 59.6878 30.1025 178.6736 105 N 4.4800 7.8960 114.2047 55.9230 38.6611 176.9717 106 L 4.1331 7.6589 122.0913 57.5320 42.0476 178.4632 107 L 3.9268 7.9795 119.6415 57.6121 41.6718 177.8162 108 P 4.1682 0.0000 0.0000 66.0537 31.0709 178.1810 109 E 3.9940 8.1057 117.7886 59.0652 29.4042 179.0823 110 L 3.9060 8.0843 119.1117 57.5885 41.6654 179.2561 111 A 3.9991 8.1505 121.0870 55.1538 18.2207 179.9830 112 G 2.3323 7.4914 103.8200 47.3642 0.0000 175.8109 113 A 3.9450 7.7284 123.6475 54.8197 18.2782 179.7394 114 L 4.0788 8.2016 117.9647 57.9336 41.6001 179.9502 115 V 3.5489 7.7138 118.2524 65.9391 31.5501 178.2205 116 V 3.5281 7.9996 117.9519 65.9831 31.3650 177.9252 117 A 4.1222 8.4441 120.7619 55.1845 18.1340 178.9848 118 Y 4.0191 8.6850 118.2150 60.8637 38.8831 178.1664 119 A 4.1826 8.3098 121.9761 55.3757 18.5477 179.8927 120 R 3.9694 7.9968 116.1026 59.0609 30.0628 179.5361 121 V 3.5918 7.9639 118.3059 65.9698 31.1189 177.8828 122 L 3.8741 7.6926 118.7754 57.9019 41.2444 179.5693 123 K 4.0312 7.8672 118.2592 59.5047 32.1615 178.4479 124 E 4.1294 7.8637 118.1164 59.2338 29.4410 178.8462 125 L 4.3844 7.7117 118.3805 56.9489 42.3194 176.9183 126 D 4.3979 7.7784 115.7522 52.8545 42.2290 173.7825 127 P 4.4185 0.0000 0.0000 64.2063 31.5341 177.0766 128 A 4.5268 7.6377 119.1819 51.5425 19.9772 176.8344 129 L 4.0672 8.0403 119.1377 54.9954 42.9112 176.4839 130 K 4.3783 8.6675 123.5653 57.0831 34.2631 175.6853 131 N 5.2581 7.6404 115.3626 49.6973 41.1352 171.9176 132 P 4.0620 0.0000 0.0000 62.9833 31.9980 176.2704 133 Q 4.5683 8.4403 121.5451 54.3767 31.1771 176.4460 134 T 3.9407 8.5049 115.2060 67.2017 68.0600 176.3881 135 E 3.9121 8.1458 119.7190 59.9169 29.5336 179.0953 136 H 4.1387 7.9489 115.9917 59.0737 28.7344 177.6216 137 H 4.4108 7.9651 118.8835 58.3043 28.5860 177.3799 138 E 3.9040 8.2564 120.3442 59.6421 29.3446 179.8152 139 R 3.9006 7.7905 117.5499 59.0777 30.1680 178.9199 140 A 3.9458 8.4546 120.9438 55.1389 18.3106 179.5565 141 E 3.6561 8.4923 117.4521 59.5714 29.2369 179.7434 142 R 4.0857 7.7387 116.9464 59.2255 30.2494 179.0379 143 V 3.8103 8.0024 118.0034 66.0564 31.5080 178.1165 144 F 4.0876 8.7070 117.5440 60.8226 38.6485 177.3635 145 N 4.2235 8.9553 115.1037 56.4450 38.3537 177.0857 146 L 4.2192 7.7785 119.8238 56.6645 41.7928 177.7057 147 L 4.6513 7.7952 115.9779 54.3957 44.1154 176.2515 148 L 4.3386 8.7459 123.6153 54.8150 42.4850 176.0672 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 L 8.18 4.17 0.00 1.68 1.72 1.00 0.60 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 *4 K 7.58 4.17 0.00 1.83 1.80 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.61 7.81 5 V 8.35 3.88 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 1.21 0.00 0.00 1.00 0.00 0.00 6 A 7.96 4.34 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 7 E 8.05 4.02 0.00 2.05 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 2.41 2.40 0.00 8 F 8.33 4.32 0.00 3.40 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 9 E 8.68 4.17 0.00 2.27 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 0.00 2.39 2.75 0.00 10 R 8.29 3.99 0.00 2.07 2.15 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 11 L 8.35 4.08 0.00 1.90 1.71 0.95 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.65 4.08 0.00 3.42 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 13 R 8.19 4.02 0.00 2.11 2.03 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.04 0.00 14 Q 8.28 4.00 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 15 A 8.19 4.30 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 16 A 7.37 4.56 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 17 G 8.35 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.05 5.03 0.00 1.79 1.65 1.08 0.93 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 19 D 9.19 5.08 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.07 4.55 1.69 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 -0.35 0.00 0.00 0.70 0.00 0.00 21 D 8.95 4.93 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.57 3.82 0.00 1.78 1.86 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.51 7.81 23 N 7.92 4.27 0.00 2.84 2.82 0.00 0.00 7.09 7.78 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 24 D 7.82 4.01 0.00 2.72 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.54 3.44 0.00 1.47 1.19 0.88 0.47 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 26 K 7.64 3.80 0.00 1.76 1.72 0.00 1.48 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.44 7.81 27 R 7.34 3.79 0.00 1.64 1.85 0.00 3.05 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 28 V 7.85 3.23 1.81 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 0.79 0.00 0.00 0.78 0.00 0.00 29 S 8.23 4.16 0.00 3.84 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 30 D 7.92 4.38 0.00 2.77 2.70 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 31 F 8.20 4.13 0.00 3.11 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 32 L 8.16 3.85 0.00 1.72 1.68 0.91 0.89 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 33 R 8.37 3.87 0.00 1.84 2.16 0.00 3.35 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 34 N 8.28 4.45 0.00 2.80 2.82 0.00 0.00 7.09 8.09 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 35 K 7.72 3.88 0.00 1.84 1.82 0.00 1.62 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.92 1.35 7.81 36 L 8.28 3.94 0.00 1.80 1.84 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.52 4.06 0.00 3.10 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 38 D 8.46 4.30 0.00 2.87 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 39 L 7.75 3.95 0.00 1.84 1.67 0.90 0.59 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 40 L 7.82 3.87 0.00 1.66 1.55 0.91 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 41 A 7.90 3.72 1.06 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 0.00 0.00 42 V 7.85 3.50 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 0.95 0.00 0.00 0.91 0.00 0.00 43 A 8.01 4.52 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 44 E 8.41 3.85 0.00 1.97 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 2.29 2.30 0.00 45 R 7.73 3.92 0.00 1.85 2.08 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 46 N 8.36 4.37 0.00 2.92 2.85 0.00 0.00 6.91 7.64 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 47 A 8.49 4.07 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 48 K 8.24 3.97 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.61 7.81 49 Y 8.09 4.09 0.00 3.07 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 50 N 7.95 4.90 0.00 2.86 2.86 0.00 0.00 7.01 7.28 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 51 G 7.87 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 52 R 8.02 4.78 0.00 2.04 2.12 0.00 3.37 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 53 D 8.59 5.01 0.00 2.76 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 54 L 7.65 4.77 0.00 1.62 1.55 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.41 4.39 1.76 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 1.20 0.52 0.87 0.00 0.00 56 F 9.41 4.79 0.00 2.95 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 57 E 9.13 3.95 0.00 2.06 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 0.00 2.41 2.37 0.00 58 P 0.00 4.39 0.00 2.11 2.12 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 59 D 8.18 4.49 0.00 2.92 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 60 L 7.65 4.34 0.00 1.77 1.59 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.44 0.00 2.14 2.05 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 62 I 7.29 4.09 1.86 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 1.33 0.58 0.95 0.00 0.00 63 A 8.13 4.22 1.24 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 0.00 0.00 64 K 8.77 3.85 0.00 1.82 1.83 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 65 G 8.00 3.56 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 0.00 0.00 0.00 66 L 7.81 4.00 0.00 1.72 1.81 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.11 3.94 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 68 E 8.48 3.95 0.00 2.11 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 0.00 2.31 2.41 0.00 69 T 7.89 3.91 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 1.29 0.00 0.00 70 L 8.11 4.08 0.00 1.78 1.95 1.02 0.69 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 71 Q 8.14 4.03 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 72 E 8.48 4.08 0.00 2.19 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 2.35 2.40 0.00 73 F 8.42 4.16 0.00 2.99 3.33 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 74 R 8.14 3.68 0.00 1.94 1.93 0.00 3.26 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 75 R 7.12 4.11 0.00 1.88 1.86 0.00 3.18 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 *77 D 7.60 4.30 0.00 2.57 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 78 T 7.14 4.36 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 1.29 0.00 0.00 79 A 8.25 4.21 1.24 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 0.00 0.00 80 L 8.34 4.76 0.00 1.68 1.56 0.88 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.40 4.24 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 82 L 8.50 4.08 0.00 1.71 1.65 0.91 0.26 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 83 K 8.08 3.81 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.55 7.81 84 P 0.00 4.34 0.00 2.29 2.08 0.00 3.74 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 2.09 2.14 0.00 85 V 7.64 3.57 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 1.14 0.00 0.00 1.00 0.00 0.00 86 L 7.86 3.99 0.00 1.88 1.70 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.39 4.32 0.00 2.76 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 88 A 8.08 4.14 1.42 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 0.00 0.00 89 L 8.32 4.02 0.00 1.86 1.82 0.96 1.31 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 90 A 7.71 4.14 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 91 A 7.72 4.08 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 6.76 4.44 0.00 1.02 0.72 0.45 0.85 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 P 0.00 4.28 0.00 2.13 2.04 0.00 3.41 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 2.02 2.05 0.00 94 P 0.00 4.50 0.00 2.20 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 95 L 8.23 4.34 0.00 1.65 1.85 0.83 0.97 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 96 D 9.25 4.50 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.83 4.59 0.00 1.60 1.55 0.90 0.92 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 98 E 8.32 4.37 0.00 1.83 1.80 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 2.36 2.26 0.00 99 V 8.04 4.49 1.98 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 0.61 0.00 0.00 0.87 0.00 0.00 100 A 8.61 3.96 0.46 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 0.00 101 E 8.86 3.88 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 102 D 8.07 4.44 0.00 2.84 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 0.00 103 V 7.63 3.63 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 1.03 0.00 0.00 0.93 0.00 0.00 104 R 7.72 3.90 0.00 2.01 1.97 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 105 N 7.90 4.48 0.00 2.73 2.90 0.00 0.00 7.09 7.89 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 0.00 106 L 7.66 4.13 0.00 1.89 1.89 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.98 3.93 0.00 1.86 1.72 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.17 0.00 2.36 2.45 0.00 3.69 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 2.20 2.07 0.00 109 E 8.11 3.99 0.00 2.24 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 0.00 2.62 2.48 0.00 110 L 8.08 3.91 0.00 1.82 1.66 0.90 1.16 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 0.00 111 A 8.15 4.00 1.24 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 0.00 0.00 112 G 7.49 2.33 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 0.00 113 A 7.73 3.94 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 0.00 114 L 8.20 4.08 0.00 1.85 1.84 0.92 0.82 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 0.00 115 V 7.71 3.55 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 0.82 0.00 0.00 1.05 0.00 0.00 116 V 8.00 3.53 2.29 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 1.02 0.00 0.00 1.15 0.00 0.00 117 A 8.44 4.12 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.69 4.02 0.00 2.97 3.07 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 0.00 119 A 8.31 4.18 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 0.00 120 R 8.00 3.97 0.00 2.13 2.02 0.00 3.17 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 121 V 7.96 3.59 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.16 0.00 0.00 122 L 7.69 3.87 0.00 1.95 1.67 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 K 7.87 4.03 0.00 1.90 2.04 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.50 7.81 124 E 7.86 4.13 0.00 2.19 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 2.60 2.50 0.00 125 L 7.71 4.38 0.00 1.82 1.75 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.78 4.40 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.42 0.00 2.08 2.11 0.00 3.71 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 2.03 2.10 0.00 128 A 7.64 4.53 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 L 8.04 4.07 0.00 1.78 1.60 0.89 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.67 4.38 0.00 1.80 1.78 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.52 7.81 131 N 7.64 5.26 0.00 2.57 2.60 0.00 0.00 7.37 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 0.00 132 P 0.00 4.06 0.00 1.90 1.79 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 133 Q 8.44 4.57 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 134 T 8.50 3.94 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 1.24 0.00 0.00 135 E 8.15 3.91 0.00 1.74 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 2.35 2.37 0.00 136 H 7.95 4.14 0.00 3.25 3.27 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 7.97 4.41 0.00 3.30 3.31 0.00 5.91 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 0.00 138 E 8.26 3.90 0.00 2.16 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 2.30 2.59 0.00 139 R 7.79 3.90 0.00 1.90 1.95 0.00 3.08 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 140 A 8.45 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.49 3.66 0.00 1.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.21 0.00 142 R 7.74 4.09 0.00 1.99 2.04 0.00 3.18 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 143 V 8.00 3.81 2.40 0.00 0.00 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 0.00 0.00 1.03 0.00 0.00 144 F 8.71 4.09 0.00 3.69 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 0.00 145 N 8.96 4.22 0.00 2.95 3.02 0.00 0.00 7.13 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 0.00 146 L 7.78 4.22 0.00 1.76 1.75 0.95 0.93 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 0.00 147 L 7.80 4.65 0.00 1.48 1.59 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 148 L 8.75 4.34 0.00 1.55 1.50 0.79 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.