NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 G 3.8917 8.3544 109.7389 45.6606 0.0000 172.9740 8 S 4.5467 8.0453 112.2632 56.5238 64.9992 173.4528 9 I 4.1368 8.4065 128.2862 65.0673 37.3491 179.0233 10 S 4.3609 8.0226 118.8526 62.9011 62.2699 178.6617 11 D 4.5591 7.6670 120.8831 57.5560 40.4712 178.7088 12 I 3.7129 7.4286 119.3595 64.2378 37.2040 178.4030 13 R 3.8341 7.7920 118.9365 59.3512 30.0109 178.0543 14 K 3.8176 8.1621 118.5392 59.8301 32.1454 178.4634 15 D 4.2695 8.1765 117.3428 57.3876 41.1128 177.8879 16 A 3.9573 7.9038 121.2223 55.3628 18.2354 179.3373 17 E 3.8005 8.0348 116.9705 59.3768 29.8382 178.9147 18 V 3.5630 8.0345 118.6695 66.3554 31.5666 178.2785 19 R 3.9757 8.5284 117.9402 59.2584 29.8603 179.1085 20 M 4.0158 8.3383 118.8595 58.5796 32.0680 178.2244 21 D 4.4067 8.7138 119.4659 57.5944 40.8451 179.1781 22 K 3.9749 8.1923 119.6422 59.3217 31.7454 178.7487 23 A 4.0055 8.1189 121.2353 54.9440 18.2455 179.6750 24 V 3.7914 7.5499 116.0842 65.9242 31.7999 178.2110 25 E 4.0407 8.3520 117.9602 58.9101 29.3288 179.0702 26 A 3.9904 7.8294 121.2783 55.0424 18.4050 179.5113 27 F 4.2204 7.8698 117.8750 61.4018 39.4907 177.3614 28 K 3.4925 8.0580 118.1213 59.7528 31.9184 179.0194 29 N 4.2570 8.2585 116.4425 56.1947 38.4128 177.7108 30 K 4.0248 7.8811 119.5295 59.2081 32.0047 179.4928 31 L 3.8815 7.6155 119.4862 57.5976 41.3532 179.1391 32 D 4.1937 8.2222 121.4740 57.9524 40.9078 179.7147 33 K 3.9579 7.7950 123.6611 59.5925 31.6470 180.6903 34 F 4.2438 8.0246 121.6368 61.0750 39.3286 177.1764 35 K 3.3697 8.1429 119.2587 59.2034 31.6108 178.6755 36 A 3.8806 7.3784 119.8547 54.9399 18.0007 179.1868 37 A 3.9391 7.6580 119.1129 55.1317 18.4208 180.0674 38 V 3.0579 7.2118 116.7741 65.7377 31.1767 178.4540 39 R 4.0935 7.5566 116.9787 58.3644 29.8485 177.4126 40 K 4.4181 7.2632 115.5800 55.9305 32.2140 176.3808 41 V 4.4751 7.6259 121.0241 61.1358 34.1569 175.9005 *42 F 4.2717 8.6897 124.8868 55.5242 38.3696 172.8971 43 P 4.4591 0.0000 0.0000 63.1099 31.6819 177.0193 44 T 4.6315 7.5976 115.8568 60.1677 73.8313 171.8998 45 E 3.8483 8.5656 122.7487 59.4274 29.7175 179.0739 46 E 3.8329 7.8852 118.9543 59.2066 29.7720 178.7639 47 R 3.6001 7.5763 117.6124 59.1470 29.9432 178.8329 48 I 3.1198 7.7130 120.0898 64.0700 36.5520 178.3825 49 K 3.9563 7.7551 120.4036 59.3045 32.0421 178.6788 50 D 4.5176 7.8636 119.4680 56.7095 40.7412 178.8058 51 W 4.7313 8.4639 120.0009 59.9883 29.1600 178.3425 52 L 4.1210 7.8853 119.0250 57.9005 41.0465 179.6042 53 K 3.9642 7.8232 118.0700 59.5044 32.1627 178.7831 54 I 3.6548 7.7543 119.8489 64.5255 37.0157 178.6422 55 V 3.4403 8.0842 119.3180 65.8613 31.2965 178.2518 56 R 4.0142 8.5448 118.4043 59.3766 29.9237 179.2847 57 G 3.6676 8.3015 105.4662 47.6773 0.0000 175.6658 58 E 4.0927 8.2998 120.5014 59.3457 29.5207 178.6738 59 A 2.9548 8.1141 121.0455 55.2661 18.2448 179.1344 60 E 3.7642 8.2041 117.1753 59.6847 29.6526 179.0781 61 Q 3.9188 7.8743 117.3447 58.8976 28.8335 178.8421 62 A 3.9287 7.7529 121.7933 54.9959 18.3222 179.8486 63 R 3.7603 8.0729 117.0350 59.3623 30.0998 179.4761 64 V 3.4989 8.0536 118.0688 65.8925 31.4003 177.7501 65 A 3.9531 7.9500 120.5651 55.3086 18.1405 179.8291 66 V 3.5502 7.5993 116.2512 65.8918 31.5367 178.3913 67 R 3.8680 8.1235 118.0395 59.5256 29.9473 178.6794 68 N 4.2755 8.2762 116.1074 56.2565 38.3784 177.6972 69 V 3.6488 7.5748 119.8946 65.7920 31.6851 178.1290 70 G 3.6598 7.9253 105.4433 48.0724 0.0000 175.5907 71 R 3.9249 8.1540 121.3545 59.0279 30.0742 178.7746 72 D 4.3177 8.3339 117.4382 57.0717 41.1332 178.1125 73 A 3.9785 8.3359 121.8312 55.1346 18.3642 179.3009 74 N 4.2581 8.7225 115.3484 56.4465 38.6103 177.1803 75 D 4.3617 8.1791 120.2403 57.5170 40.7625 178.9770 76 K 3.9481 8.2768 119.6768 59.3734 31.8817 178.6811 77 A 3.9855 7.9636 120.4415 55.0057 18.5140 179.1738 78 A 4.0929 8.1833 119.2133 55.1785 18.3337 179.7404 79 A 3.9570 8.2147 119.3961 55.2069 18.2433 179.6679 80 L 4.2178 7.6507 116.2245 57.0539 41.6551 179.3799 81 G 3.9353 8.0266 106.0028 47.1499 0.0000 174.4064 82 K 4.3773 7.6859 120.4829 55.2152 32.0379 177.7749 83 D 4.5297 7.5798 118.7784 52.6452 43.4980 175.2579 84 K 4.0653 8.7374 128.9032 59.3501 32.4294 177.4281 85 E 4.1763 8.3310 118.2658 57.7949 29.4977 176.9736 86 I 4.3792 7.4165 117.9396 57.4221 37.7632 180.1066 87 N 4.6026 8.7462 124.2553 52.3828 38.2196 174.8049 88 W 4.1912 9.0954 135.0000 60.3527 30.8108 177.2650 89 F 4.1392 8.4838 114.7475 58.5084 38.3789 176.0033 90 D 4.7748 8.2756 120.7839 54.3696 41.1548 178.1685 91 I 3.7799 7.1615 122.3583 64.0812 37.1161 177.8950 92 S 3.9915 7.7317 115.6838 62.0141 62.6026 176.5812 93 Q 3.9807 7.4995 121.7010 59.2135 28.5948 178.4644 94 S 4.1091 7.9741 114.1036 61.2435 62.4618 175.8787 95 L 3.9569 7.9577 121.2561 57.6330 41.3903 179.1229 96 W 4.0106 8.4656 128.1109 60.6679 30.7331 177.3577 97 D 4.3140 8.7002 119.2184 57.7844 40.4404 179.4845 98 V 3.6201 8.0713 118.2176 65.5706 31.3596 177.8259 99 Q 3.8769 7.8095 119.7575 58.8270 28.8370 178.1329 100 K 3.6741 7.4922 119.7229 59.1305 32.0045 179.3630 101 L 3.9589 7.7964 119.3708 57.8571 41.4330 179.7578 102 T 3.7518 7.7266 115.5979 66.5689 68.4121 175.9852 103 D 4.2526 8.2268 120.0965 57.3910 41.0614 178.3109 104 A 3.9012 7.9422 120.6017 55.0772 18.3875 179.3189 105 A 3.8907 8.3574 119.4649 55.4193 18.5114 179.7206 106 I 3.5630 7.9958 118.5244 64.6352 37.2191 178.7289 107 K 3.9446 8.1109 119.0802 59.5629 31.8833 179.5642 108 K 4.0294 8.3375 118.8331 59.3717 31.8354 179.4727 109 I 3.8219 7.9639 120.2147 64.5832 37.0634 178.2771 110 E 3.9347 8.7842 119.3946 59.2612 29.1033 179.4722 111 A 4.0187 8.0172 120.7014 55.0733 18.5957 179.5707 112 A 3.9546 8.1666 119.4102 54.9881 18.4441 179.5660 113 L 4.0049 8.5387 118.9765 58.4419 42.4109 178.9668 114 A 4.0663 8.1006 120.6292 55.3026 17.8200 178.9421 115 D 4.3385 8.4712 116.7700 57.7415 41.2680 178.3744 116 M 4.1083 7.8775 118.0557 58.8185 32.4349 177.8984 117 E 4.1170 8.8359 118.9433 59.4510 29.5689 179.1573 118 A 4.0623 8.0457 120.3315 55.0590 18.2315 179.5065 119 W 4.3225 7.6528 126.1370 60.2308 30.9043 177.9481 120 L 4.3744 8.4211 118.1348 57.5392 41.1632 178.7672 121 T 4.3159 7.7363 108.0585 62.9363 69.3329 174.5724 122 Q 4.0657 8.4788 127.9481 56.1762 29.1262 175.1910 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 7 G 8.35 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 8 S 8.05 4.55 0.00 4.12 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 9 I 8.41 4.14 1.88 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 1.51 1.00 0.92 0.00 0.00 10 S 8.02 4.36 0.00 3.73 3.87 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 0.00 0.00 0.00 11 D 7.67 4.56 0.00 2.88 2.75 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 12 I 7.43 3.71 2.07 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 1.41 0.76 0.95 0.00 0.00 13 R 7.79 3.83 0.00 1.88 2.03 0.00 3.23 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 1.69 1.73 0.00 14 K 8.16 3.82 0.00 2.07 1.87 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.48 7.81 15 D 8.18 4.27 0.00 2.95 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.96 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 17 E 8.03 3.80 0.00 2.07 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 2.29 0.00 18 V 8.03 3.56 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 0.97 0.00 0.00 0.95 0.00 0.00 19 R 8.53 3.98 0.00 1.94 1.95 0.00 3.22 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 20 M 8.34 4.02 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 21 D 8.71 4.41 0.00 2.88 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 8.19 3.97 0.00 1.98 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 23 A 8.12 4.01 1.38 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 0.00 0.00 24 V 7.55 3.79 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 1.08 0.00 0.00 0.93 0.00 0.00 25 E 8.35 4.04 0.00 2.04 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 0.00 2.45 2.47 0.00 26 A 7.83 3.99 1.40 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 0.00 0.00 0.00 27 F 7.87 4.22 0.00 3.09 3.26 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 28 K 8.06 3.49 0.00 1.94 1.75 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.66 7.81 29 N 8.26 4.26 0.00 2.88 2.82 0.00 0.00 7.08 6.42 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 30 K 7.88 4.02 0.00 1.93 1.82 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.76 7.81 31 L 7.62 3.88 0.00 1.51 1.43 0.26 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.22 4.19 0.00 2.70 2.59 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 33 K 7.80 3.96 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 34 F 8.02 4.24 0.00 3.12 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 35 K 8.14 3.37 0.00 1.07 1.57 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.33 7.81 36 A 7.38 3.88 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 37 A 7.66 3.94 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 38 V 7.21 3.06 1.65 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 0.05 0.00 0.00 -0.82 0.00 0.00 39 R 7.56 4.09 0.00 2.00 2.00 0.00 3.20 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.98 0.00 40 K 7.26 4.42 0.00 1.75 1.81 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.47 7.81 41 V 7.63 4.48 2.31 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 0.96 0.00 0.00 0.97 0.00 0.00 *42 F 8.69 4.27 0.00 2.34 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 0.00 0.00 0.00 43 P 0.00 4.46 0.00 2.15 2.19 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 44 T 7.60 4.63 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 1.21 0.00 0.00 45 E 8.57 3.85 0.00 1.99 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 2.32 2.35 0.00 46 E 7.89 3.83 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 47 R 7.58 3.60 0.00 1.51 0.99 0.00 3.21 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 48 I 7.71 3.12 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.15 0.85 0.00 0.00 49 K 7.76 3.96 0.00 1.99 1.91 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.35 7.81 50 D 7.86 4.52 0.00 2.85 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 51 W 8.46 4.73 0.00 3.54 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 52 L 7.89 4.12 0.00 1.73 1.81 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.82 3.96 0.00 2.12 1.86 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.36 7.81 54 I 7.75 3.65 2.05 0.00 0.00 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 1.49 0.97 0.60 0.00 0.00 55 V 8.08 3.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.64 0.00 0.00 56 R 8.54 4.01 0.00 1.93 1.97 0.00 3.22 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 1.75 1.86 0.00 57 G 8.30 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.30 4.09 0.00 2.33 2.25 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 2.43 2.34 0.00 59 A 8.11 2.95 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 60 E 8.20 3.76 0.00 2.03 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 2.27 2.36 0.00 61 Q 7.87 3.92 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 62 A 7.75 3.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.76 0.00 1.87 1.91 0.00 3.06 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 64 V 8.05 3.50 2.18 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 0.98 0.00 0.00 0.94 0.00 0.00 65 A 7.95 3.95 1.36 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 0.00 0.00 0.00 66 V 7.60 3.55 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 0.97 0.00 0.00 0.94 0.00 0.00 67 R 8.12 3.87 0.00 1.94 1.94 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 68 N 8.28 4.28 0.00 2.88 2.86 0.00 0.00 6.71 7.23 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 69 V 7.57 3.65 2.20 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 1.08 0.00 0.00 0.97 0.00 0.00 70 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.15 3.92 0.00 1.97 1.99 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 72 D 8.33 4.32 0.00 2.87 2.65 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 73 A 8.34 3.98 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 74 N 8.72 4.26 0.00 2.86 2.87 0.00 0.00 7.03 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 75 D 8.18 4.36 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 76 K 8.28 3.95 0.00 1.99 1.81 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 77 A 7.96 3.99 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 78 A 8.18 4.09 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 79 A 8.21 3.96 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 80 L 7.65 4.22 0.00 1.81 1.78 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.03 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 82 K 7.69 4.38 0.00 1.74 1.83 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.52 7.81 83 D 7.58 4.53 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.74 4.07 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 85 E 8.33 4.18 0.00 2.13 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 2.48 2.41 0.00 86 I 7.42 4.38 1.87 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 1.18 0.75 0.95 0.00 0.00 87 N 8.75 4.60 0.00 2.88 3.03 0.00 0.00 6.81 7.95 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 88 W 9.10 4.19 0.00 3.34 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 89 F 8.48 4.14 0.00 3.22 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 90 D 8.28 4.77 0.00 2.84 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.16 3.78 1.52 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 1.45 0.88 0.79 0.00 0.00 92 S 7.73 3.99 0.00 3.75 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 93 Q 7.50 3.98 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 94 S 7.97 4.11 0.00 3.96 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 95 L 7.96 3.96 0.00 1.94 1.74 0.89 0.86 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 96 W 8.47 4.01 0.00 3.39 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.31 0.00 2.88 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 98 V 8.07 3.62 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 0.95 0.00 0.00 0.95 0.00 0.00 99 Q 7.81 3.88 0.00 2.10 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 100 K 7.49 3.67 0.00 1.56 1.51 0.00 1.40 0.00 0.00 1.17 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.34 7.81 101 L 7.80 3.96 0.00 1.63 1.66 0.89 0.64 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 0.00 102 T 7.73 3.75 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 1.15 0.00 0.00 103 D 8.23 4.25 0.00 2.78 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 0.00 104 A 7.94 3.90 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 0.00 105 A 8.36 3.89 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 0.00 106 I 8.00 3.56 1.82 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 1.71 0.78 0.86 0.00 0.00 107 K 8.11 3.94 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.59 7.81 108 K 8.34 4.03 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.73 7.81 109 I 7.96 3.82 1.91 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 1.40 0.83 0.40 0.00 0.00 110 E 8.78 3.93 0.00 2.07 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 2.46 0.00 111 A 8.02 4.02 1.40 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 0.00 0.00 0.00 112 A 8.17 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.54 4.00 0.00 2.01 2.00 1.09 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.10 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 0.00 115 D 8.47 4.34 0.00 3.03 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 0.00 116 M 7.88 4.11 0.00 2.36 2.07 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 117 E 8.84 4.12 0.00 2.08 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 0.00 2.44 2.59 0.00 118 A 8.05 4.06 1.50 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 0.00 0.00 119 W 7.65 4.32 0.00 3.32 3.50 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 0.00 120 L 8.42 4.37 0.00 2.09 2.06 1.52 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.74 4.32 4.26 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 1.27 0.00 0.00 122 Q 8.48 4.07 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.