NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4439 8.1701 117.3222 63.4906 70.1643 172.7240 3 A 4.6838 8.3278 125.8559 49.6873 22.6517 173.3954 4 S 5.3227 9.0168 116.0263 56.7605 66.7074 170.8777 *6 A 4.1348 8.3508 121.6611 51.6389 19.4960 176.2851 7 V 4.0866 7.9751 121.7961 60.6671 34.4552 174.4900 8 E 4.3668 8.6339 127.4059 55.8474 29.9747 177.9176 9 A 4.3937 9.1079 127.7097 54.5538 18.6603 178.3326 10 E 4.4261 8.2618 111.7456 58.0507 30.1921 176.4065 11 N 4.6924 8.0417 117.5661 53.0185 39.1130 175.4531 12 F 3.9434 7.7751 112.6695 57.1348 38.3298 174.4250 13 N 4.8433 8.8922 119.1797 53.8030 38.2302 174.7380 14 A 4.6305 7.5145 118.7002 51.4717 22.3247 175.4705 15 V 4.3912 8.1963 112.5837 59.7174 36.0354 174.7006 16 G 3.6399 6.9291 108.3083 44.2332 0.0000 172.1664 17 G 5.2199 8.0723 113.2069 45.1623 0.0000 172.6841 18 T 4.1568 7.9476 110.8882 62.5102 69.8633 175.4831 19 F 3.7330 8.0648 124.0736 58.4817 39.5420 174.9453 20 S 4.2559 7.3974 124.4019 57.9185 61.4324 173.1565 21 D 4.9084 8.4639 122.8641 52.4826 39.7145 177.7742 22 G 3.8042 8.1591 106.8914 46.0966 0.0000 173.1949 23 Q 4.3878 7.8692 118.2225 53.9906 31.2136 174.9568 24 A 4.3212 8.2540 120.0233 53.6856 19.5051 177.3935 25 Q 4.6356 7.3988 112.5363 53.2735 32.6413 174.5176 26 P 4.0543 0.0000 0.0000 64.5206 31.5889 176.9176 27 V 4.4076 6.9217 117.3828 61.0118 34.3325 174.7362 28 S 4.9865 8.8825 122.2779 56.7632 66.8544 172.7662 29 V 5.2545 8.4573 120.4367 61.6520 33.8162 173.9539 30 Y 5.1491 9.4051 124.0174 56.0984 42.0477 173.7874 31 T 4.9290 8.5121 116.2127 61.6836 71.6595 174.3298 32 V 4.4138 8.7053 124.5097 61.5484 34.4377 174.5025 33 N 4.2590 9.7392 119.8840 54.4913 35.9441 175.1292 34 G 3.9334 8.5083 102.9115 45.9270 0.0000 173.5716 35 N 4.9738 8.3679 117.8520 51.4111 40.7240 173.8319 36 T 4.7809 8.2248 118.7870 62.1161 70.5095 173.5163 37 A 4.8580 8.7144 126.4001 51.0065 23.6538 174.6886 38 I 5.1131 9.0094 113.3861 60.3359 40.1431 175.2023 39 N 5.3348 8.9387 120.4920 52.3459 40.9345 173.2068 40 Y 3.4085 7.8786 112.6628 59.2730 35.7783 171.1818 41 V 3.7578 7.4197 118.8932 61.7733 32.1246 174.5771 42 N 4.6189 9.0063 125.2502 50.3859 40.8668 174.0158 43 Q 4.0031 7.4115 120.5105 58.2344 29.0428 177.2882 44 G 4.0393 8.9897 113.9384 45.4433 0.0000 173.0918 45 D 4.8405 7.7767 120.1144 54.4255 42.5221 174.7389 46 Y 5.3876 7.8675 116.6791 56.0539 42.0425 173.4837 47 A 4.9219 9.1871 121.5324 50.3732 22.7653 174.7189 48 D 5.4828 8.8580 121.7437 52.8230 43.6065 175.1944 49 Y 5.1711 9.4308 119.0678 56.6597 42.6169 174.2361 50 T 5.1456 8.8065 118.8209 62.0447 70.7573 173.8777 51 I 4.7069 9.0826 126.7864 59.3839 40.9324 174.1279 52 A 4.9949 8.6555 127.8776 50.2661 21.0452 176.1662 53 V 4.1242 9.1157 123.0813 60.9967 33.0379 176.2798 54 A 4.0235 8.8558 132.2190 54.1455 18.6572 176.7853 55 Q 4.6880 7.8704 116.3282 53.8450 31.0079 175.5737 56 A 4.3237 9.0560 128.6093 52.2639 19.3317 176.3677 57 G 3.7312 7.7517 107.4594 45.8780 0.0000 171.6570 58 N 5.1276 8.6848 119.4049 53.1211 39.6684 173.5918 59 Y 4.6288 9.0451 125.3003 56.3655 40.3948 175.5281 60 T 4.4256 8.7114 122.1546 63.5656 70.0171 173.6222 61 I 4.4633 8.5397 127.7246 60.0796 39.1095 174.6360 62 S 4.8133 8.9066 122.1374 56.6703 65.0477 172.4233 63 Y 5.0038 8.6530 125.3514 57.4847 39.9730 175.1786 64 Q 5.1813 9.4610 122.7658 54.4149 29.3704 174.2309 65 A 5.4403 9.1002 125.1520 50.0199 23.1030 174.7979 66 G 4.6478 9.5780 106.0742 45.1182 0.0000 171.3515 67 S 4.2325 8.3111 113.0228 56.5786 65.8736 174.4957 68 G 3.1070 5.3800 112.0925 43.6852 0.0000 173.1075 69 V 4.4232 6.5943 111.4971 59.5437 35.7052 174.9131 70 T 4.2997 8.2318 117.6406 64.0007 69.7715 175.4044 71 G 3.9913 9.1231 113.0023 45.1557 0.0000 172.2942 72 G 4.7200 7.8783 106.6797 44.1067 0.0000 173.5745 73 S 5.2335 8.7311 119.1582 56.9298 67.9473 172.8248 74 I 4.4497 8.5142 125.2226 59.8696 38.6860 174.1934 75 E 4.9228 9.2724 129.6143 54.8753 31.0611 175.0120 76 F 4.9315 9.3972 129.8846 56.9066 42.1765 174.4108 *78 V 4.5485 8.0036 121.0380 62.7624 32.9887 173.8955 79 N 4.4390 8.7734 126.5107 52.9305 39.2514 174.2067 80 E 4.5702 8.6576 125.2162 55.8083 33.1761 175.5345 81 N 4.2243 9.8364 120.2034 54.3939 36.0869 175.5598 82 G 3.8554 8.5476 105.4629 45.4032 0.0000 173.9147 83 S 4.5285 7.4820 113.0515 55.4591 65.6279 172.6547 84 W 4.6566 8.5629 124.5046 56.7383 29.4375 175.3254 85 A 4.7989 8.9921 127.6638 49.9828 20.1839 176.1207 86 S 4.2864 8.9177 118.4479 58.9067 62.7695 172.8365 87 K 4.7261 9.4125 126.3411 57.8281 33.7210 176.5582 88 T 4.8188 7.7929 108.4141 60.1223 72.6072 172.3222 89 V 4.9001 8.3914 122.1110 61.6413 34.3812 174.5796 90 T 4.6655 8.9427 124.4809 61.2621 71.5374 173.4696 91 A 4.3532 8.7700 128.6865 51.7170 19.2286 176.3817 92 V 4.2052 8.5236 122.7981 60.3634 32.7933 174.2252 93 P 4.1988 0.0000 0.0000 62.5821 31.4952 176.0784 94 N 4.5944 8.4785 120.9913 53.1584 37.7769 174.6755 95 Q 4.4537 8.5071 121.4065 55.2910 31.5956 174.7728 96 G 4.0042 8.0894 107.9642 43.9449 0.0000 175.7046 97 W 4.3267 8.7961 123.9559 59.6391 29.1685 176.7959 98 D 4.3703 7.9965 114.3277 54.2959 40.8408 176.7546 99 N 4.5067 7.1581 119.9218 52.1628 37.1347 172.8232 100 F 4.9356 7.4209 119.8720 57.1508 40.1969 174.6564 101 Q 4.7937 9.1739 122.0480 53.1626 33.0748 173.1329 102 P 4.9134 0.0000 0.0000 62.8485 32.3576 175.6928 103 L 4.7244 8.8171 125.3345 53.2848 45.5091 174.5963 104 N 4.6935 9.0854 125.8363 53.1408 39.5637 174.5568 105 G 4.0236 9.0508 114.1545 45.8113 0.0000 175.6666 106 G 3.9471 8.7211 109.2111 44.9400 0.0000 173.1638 107 S 5.2000 8.2458 115.0986 56.6324 66.7591 174.3091 108 V 4.5220 8.7718 120.3338 60.1145 34.7392 173.6968 109 Y 4.7408 8.8097 125.4583 57.1786 39.7573 174.1714 110 L 4.7131 8.2238 127.2139 52.5134 44.5175 176.6435 111 S 4.7260 8.8198 118.5033 57.7768 64.1575 173.8974 112 A 4.1454 8.5207 123.1049 52.6052 18.7931 177.6779 113 G 3.6185 7.9082 108.3472 44.7913 0.0000 171.9145 114 T 5.0624 8.1100 118.1138 62.1360 71.0282 173.8034 115 H 5.0323 9.2593 122.2957 54.1159 33.2778 172.3450 116 Q 5.1225 8.6414 120.4452 54.7727 30.8327 174.6880 117 V 4.8980 9.3518 123.8784 61.0374 34.8224 173.9805 118 R 4.9674 8.4168 126.8253 54.3606 32.5435 174.2722 119 L 4.8433 9.1491 126.4072 53.3193 44.0918 174.8600 120 H 5.3472 9.1982 123.8992 54.2687 33.4530 173.2039 121 G 4.1590 9.3796 113.0513 46.0542 0.0000 173.4179 122 A 4.4617 9.0615 128.0339 51.8423 20.1620 177.3876 123 G 3.9400 7.3752 102.4826 44.5876 0.0000 173.5874 124 S 4.3759 8.3992 112.3898 59.7495 63.7913 174.4065 125 N 4.5654 7.9173 119.7361 53.0027 39.5065 174.1511 126 N 4.1347 8.9357 122.0120 55.6120 39.6900 174.5856 127 W 4.2276 8.7426 117.4485 55.1576 31.0085 174.7736 128 Q 4.6540 8.9927 121.6767 55.2304 29.9539 174.9989 129 W 5.2044 7.1966 115.8335 56.3753 30.9425 172.8523 130 N 5.6647 9.8292 119.0322 51.9772 41.3973 173.8724 131 L 4.8579 8.9606 123.0484 54.1637 45.3513 176.1145 132 D 4.2716 9.0352 127.3054 56.2592 42.3045 175.7723 133 K 4.9992 7.4988 115.0332 56.3288 35.8757 173.2809 134 F 5.5201 8.7569 114.7094 55.5795 41.7740 173.7260 135 T 4.8639 9.2128 116.1021 61.7538 72.4053 172.8387 136 L 5.2359 8.4571 124.4787 53.1756 44.6805 175.4982 137 S 4.9916 10.1195 119.5980 55.9557 66.4900 174.3141 138 N 3.7827 8.8747 121.8947 53.0053 40.4437 174.4224 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 T 8.17 4.44 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 1.18 0.00 0.00 3 A 8.33 4.68 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 4 S 9.02 5.32 0.00 3.86 3.74 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 *6 A 8.35 4.13 1.16 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 0.00 0.00 7 V 7.98 4.09 0.67 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 0.75 0.00 0.00 0.42 0.00 0.00 8 E 8.63 4.37 0.00 1.92 2.17 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 2.34 2.23 0.00 9 A 9.11 4.39 1.57 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 0.00 0.00 10 E 8.26 4.43 0.00 2.11 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 2.27 2.27 0.00 11 N 8.04 4.69 0.00 2.92 2.88 0.00 0.00 6.97 7.15 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 12 F 7.78 3.94 0.00 2.96 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 13 N 8.89 4.84 0.00 2.74 3.03 0.00 0.00 6.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.51 4.63 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 15 V 8.20 4.39 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 0.48 0.00 0.00 16 G 6.93 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.07 5.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.95 4.16 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 1.21 0.00 0.00 19 F 8.06 3.73 0.00 2.81 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 20 S 7.40 4.26 0.00 3.52 3.64 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 21 D 8.46 4.91 0.00 3.08 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 22 G 8.16 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 0.00 0.00 0.00 23 Q 7.87 4.39 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.08 1.45 0.00 24 A 8.25 4.32 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.40 4.64 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 26 P 0.00 4.05 0.00 1.81 2.12 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 27 V 6.92 4.41 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.60 0.00 0.00 28 S 8.88 4.99 0.00 4.11 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 29 V 8.46 5.25 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 0.94 0.00 0.00 1.19 0.00 0.00 30 Y 9.41 5.15 0.00 3.12 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 31 T 8.51 4.93 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 1.20 0.00 0.00 32 V 8.71 4.41 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.04 0.00 0.00 33 N 9.74 4.26 0.00 3.06 2.96 0.00 0.00 7.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.51 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 35 N 8.37 4.97 0.00 3.01 2.72 0.00 0.00 6.91 6.79 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 36 T 8.22 4.78 4.40 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 0.00 0.00 0.00 1.28 0.00 0.00 37 A 8.71 4.86 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.01 5.11 2.05 0.00 0.00 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 1.78 0.98 1.29 0.00 0.00 39 N 8.94 5.33 0.00 2.33 2.74 0.00 0.00 7.01 8.42 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 40 Y 7.88 3.41 0.00 3.07 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 41 V 7.42 3.76 1.63 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 -0.14 0.00 0.00 0.63 0.00 0.00 42 N 9.01 4.62 0.00 2.32 1.67 0.00 0.00 6.18 7.16 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 43 Q 7.41 4.00 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 44 G 8.99 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.78 4.84 0.00 2.43 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 0.00 0.00 0.00 0.00 46 Y 7.87 5.39 0.00 3.02 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 47 A 9.19 4.92 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 48 D 8.86 5.48 0.00 2.75 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 49 Y 9.43 5.17 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.81 5.15 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 1.26 0.00 0.00 51 I 9.08 4.71 1.97 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.04 0.89 0.00 0.00 52 A 8.66 4.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 9.12 4.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.82 0.00 0.00 54 A 8.86 4.02 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 55 Q 7.87 4.69 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.41 0.00 56 A 9.06 4.32 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 57 G 7.75 3.73 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 0.00 0.00 0.00 58 N 8.68 5.13 0.00 2.87 2.74 0.00 0.00 6.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 9.05 4.63 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 60 T 8.71 4.43 4.20 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 1.18 0.00 0.00 61 I 8.54 4.46 1.30 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 0.39 0.51 -0.00 0.00 0.00 62 S 8.91 4.81 0.00 3.76 3.63 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 63 Y 8.65 5.00 0.00 2.92 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 64 Q 9.46 5.18 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 65 A 9.10 5.44 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 9.58 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.31 4.23 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 68 G 5.38 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 0.00 0.00 0.00 69 V 6.59 4.42 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 0.91 0.00 0.00 1.03 0.00 0.00 70 T 8.23 4.30 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 1.20 0.00 0.00 71 G 9.12 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 72 G 7.88 4.72 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 0.00 0.00 0.00 73 S 8.73 5.23 0.00 3.89 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 74 I 8.51 4.45 0.94 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 -0.30 -0.36 0.10 0.00 0.00 75 E 9.27 4.92 0.00 2.09 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 2.30 2.33 0.00 76 F 9.40 4.93 0.00 3.26 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 *78 V 8.00 4.55 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.23 0.00 0.00 79 N 8.77 4.44 0.00 1.44 2.21 0.00 0.00 6.96 7.21 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 80 E 8.66 4.57 0.00 2.00 1.78 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 2.26 2.51 0.00 81 N 9.84 4.22 0.00 2.84 2.87 0.00 0.00 7.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.55 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.48 4.53 0.00 3.80 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.56 4.66 0.00 3.23 3.10 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 0.00 0.00 0.00 85 A 8.99 4.80 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 86 S 8.92 4.29 0.00 4.03 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.41 4.73 0.00 2.04 1.90 0.00 1.85 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.78 1.76 7.81 88 T 7.79 4.82 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 89 V 8.39 4.90 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 90 T 8.94 4.67 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 1.29 0.00 0.00 91 A 8.77 4.35 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.52 4.21 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 0.82 0.00 0.00 0.69 0.00 0.00 93 P 0.00 4.20 0.00 2.06 1.95 0.00 3.72 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 2.03 2.06 0.00 94 N 8.48 4.59 0.00 2.79 2.64 0.00 0.00 6.91 7.03 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 95 Q 8.51 4.45 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.96 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 96 G 8.09 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 97 W 8.80 4.33 0.00 3.25 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 98 D 8.00 4.37 0.00 2.61 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 99 N 7.16 4.51 0.00 2.65 2.84 0.00 0.00 7.15 6.30 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 0.00 100 F 7.42 4.94 0.00 3.09 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 0.00 101 Q 9.17 4.79 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 102 P 0.00 4.91 0.00 1.96 2.01 0.00 3.66 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 2.05 2.13 0.00 103 L 8.82 4.72 0.00 1.80 1.62 0.95 0.29 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 0.00 104 N 9.09 4.69 0.00 2.76 2.70 0.00 0.00 7.04 7.98 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 0.00 105 G 9.05 4.02 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 0.00 0.00 0.00 106 G 8.72 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 0.00 0.00 0.00 0.00 107 S 8.25 5.20 0.00 3.87 3.73 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 0.00 108 V 8.77 4.52 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 0.57 0.00 0.00 1.04 0.00 0.00 109 Y 8.81 4.74 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.22 4.71 0.00 1.43 1.30 0.65 0.74 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 0.00 111 S 8.82 4.73 0.00 3.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.52 4.15 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 0.00 113 G 7.91 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.11 5.06 4.20 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 1.22 0.00 0.00 115 H 9.26 5.03 0.00 3.14 3.21 0.00 5.80 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 0.00 116 Q 8.64 5.12 0.00 1.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 117 V 9.35 4.90 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 0.15 0.00 0.00 1.05 0.00 0.00 118 R 8.42 4.97 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.33 0.00 119 L 9.15 4.84 0.00 1.83 1.62 0.64 0.39 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 0.00 120 H 9.20 5.35 0.00 3.15 3.08 0.00 5.77 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 0.00 121 G 9.38 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 0.00 0.00 0.00 122 A 9.06 4.46 1.35 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 0.00 0.00 0.00 123 G 7.38 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 0.00 124 S 8.40 4.38 0.00 4.00 4.02 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 0.00 125 N 7.92 4.57 0.00 2.89 3.00 0.00 0.00 7.18 7.81 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 0.00 126 N 8.94 4.13 0.00 2.67 2.21 0.00 0.00 6.94 7.68 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 0.00 127 W 8.74 4.23 0.00 3.30 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 0.00 128 Q 8.99 4.65 0.00 1.44 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 129 W 7.20 5.20 0.00 3.50 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 N 9.83 5.66 0.00 3.43 3.50 0.00 0.00 6.66 6.53 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 0.00 131 L 8.96 4.86 0.00 2.12 1.83 1.03 1.32 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 0.00 132 D 9.04 4.27 0.00 1.58 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 5.00 0.00 1.89 1.96 0.00 1.46 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.38 7.81 134 F 8.76 5.52 0.00 3.12 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 0.00 135 T 9.21 4.86 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 136 L 8.46 5.24 0.00 1.49 1.51 1.00 0.87 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 0.00 137 S 10.12 4.99 0.00 3.72 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 0.00 138 N 8.87 3.78 0.00 2.67 2.64 0.00 0.00 6.65 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 * Residues marked with a * may have inaccurate shift predictions.