NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9067 8.2833 118.1723 52.2856 38.8109 174.9826 2 L 4.1213 8.3437 117.6666 56.7612 41.4224 178.6958 3 F 4.0813 9.2151 121.8909 61.3905 39.7116 176.7671 4 Q 4.1745 9.0660 118.1296 58.8627 28.5058 178.1353 5 F 4.5689 8.4623 121.9601 61.5745 39.3109 177.4162 6 G 3.3943 8.3749 105.4267 47.7417 0.0000 175.1941 7 D 4.1752 7.8542 120.3054 57.1618 41.2518 178.1823 8 M 3.9235 8.3164 119.6471 58.4847 31.9089 178.6995 9 I 3.4483 7.9674 120.1285 64.1364 37.0941 178.2245 10 L 4.0559 7.8184 122.5230 57.6506 41.6949 178.9004 11 Q 3.5797 7.7488 116.9297 58.8690 28.5962 178.7520 12 K 4.2662 7.7718 117.7203 57.8243 32.5031 177.7615 13 T 4.3655 7.9685 106.7912 59.9663 70.2467 175.0227 14 G 3.7159 8.1381 109.7582 46.3160 0.0000 173.3152 *16 K 3.9836 7.3710 117.5080 56.1637 33.3343 174.6285 17 E 4.5086 8.3119 120.7607 55.0384 30.2143 176.9150 18 A 4.0938 8.7680 126.8896 55.7231 18.0496 179.4232 19 V 3.7464 7.7601 108.6534 63.5986 31.7356 177.1555 20 H 4.9654 7.9500 114.7139 54.0400 29.4038 174.3208 21 S 4.8224 7.8270 115.7267 58.8961 67.0440 175.5604 22 Y 4.1381 8.8842 118.0026 60.5221 39.0186 178.3584 23 A 4.2153 8.3528 123.0057 54.8296 18.6568 178.5145 24 I 4.5753 8.1327 107.6459 60.5894 38.4746 173.7253 25 Y 4.9129 8.3800 122.6070 57.5666 40.3490 176.4802 26 G 3.8183 8.2444 116.0045 46.3083 0.0000 172.5857 27 C 4.6462 9.3433 115.3255 57.2553 41.3762 174.8635 28 Y 4.4719 8.7473 115.7531 58.6079 40.0740 176.4827 29 C 4.6823 8.9662 116.5470 59.2916 41.4196 174.1873 30 G 4.5572 7.8606 112.7631 45.6805 0.0000 176.1627 31 W 4.5015 8.9335 117.1218 55.0773 29.0997 175.2510 32 G 3.8269 8.0492 106.7710 44.6809 0.0000 171.5452 33 G 3.9454 7.0788 106.3914 45.1935 0.0000 173.0403 34 Q 4.4109 7.1573 115.2951 55.7946 31.1580 174.1028 35 G 4.2236 8.6519 105.7471 45.0295 0.0000 172.5582 36 R 4.5609 8.0800 116.5046 54.5849 31.2538 176.6224 37 A 4.4567 8.5616 124.6357 52.5888 18.6359 178.2271 38 Q 3.9052 8.8801 122.9818 58.4084 29.4100 175.2799 39 D 4.4575 7.1496 114.5067 51.7048 41.7231 175.1632 40 A 3.9928 8.6565 119.4364 55.8668 18.1947 179.9209 41 T 3.8388 7.9697 113.8681 67.0144 68.5749 176.0950 42 D 4.5042 8.8293 120.0612 57.4178 41.2375 178.3520 43 R 3.9626 8.2897 118.7844 59.4455 30.0513 178.1147 44 C 4.1733 8.3452 116.2713 60.5390 41.4127 175.7912 45 C 4.2605 8.0651 117.9389 59.8553 40.9447 175.9253 46 F 4.0891 8.5151 122.2232 61.1480 38.8321 176.8699 47 A 3.5901 8.3128 120.8261 55.0851 18.0969 179.3721 48 Q 3.5342 7.8166 117.8240 59.2508 29.0776 178.0357 49 D 4.1331 7.8076 119.8553 57.7810 40.6649 178.4534 50 C 4.1482 7.4724 115.4231 59.9033 35.4982 175.0250 51 C 4.2812 8.0879 120.3594 59.8303 38.7855 175.1997 52 Y 4.3307 8.4851 118.9244 61.1576 37.2939 178.8267 53 G 3.7385 7.9190 104.8773 46.9366 0.0000 174.9278 54 R 4.5215 7.5312 118.3118 55.8423 30.6642 176.0108 55 N 4.7408 7.5919 118.3164 51.4733 39.2125 173.8373 56 L 4.1682 7.9473 124.5217 53.9700 43.3325 177.2053 *59 V 3.6487 7.8325 117.0853 62.8674 32.5266 175.7114 *61 C 4.5936 7.6721 118.3159 56.5657 42.1604 171.5919 *67 N 4.8456 8.2629 123.4150 52.7557 38.2379 172.5134 68 P 4.0880 0.0000 0.0000 64.7750 31.6867 178.4520 69 K 4.1579 8.0127 117.2784 58.8588 32.1488 177.8782 70 T 4.1076 7.6448 106.3432 61.9135 69.7355 173.7625 71 A 3.7975 7.6447 124.8490 53.0620 17.7578 177.3074 72 T 4.2066 8.2227 119.8689 63.1289 68.2508 174.7383 73 Y 4.7176 7.2756 124.9258 55.8400 40.3286 174.4921 74 T 5.0152 9.8525 115.4344 60.7363 69.4910 172.5839 75 Y 5.5127 8.4549 124.8804 56.1337 41.1122 173.6226 76 S 4.5973 9.1572 114.5195 56.5309 67.1386 172.8515 77 F 5.3316 8.8590 123.1787 56.7188 40.9794 174.5324 78 E 4.1895 8.4323 126.1856 54.9894 31.8255 175.6941 79 N 4.0465 9.3597 123.5096 53.7060 35.3328 173.7173 80 G 4.0194 7.7359 105.7281 44.7764 0.0000 172.0569 81 D 4.9201 7.0657 117.4814 52.2867 43.1037 174.9256 82 I 5.0214 8.3426 123.9957 60.2873 38.6566 175.1898 83 V 4.4033 8.7609 127.2241 61.2018 34.1387 173.5620 84 C 5.1003 8.9750 126.0884 56.5341 40.3914 173.9867 85 G 3.6689 9.2612 111.7962 47.4935 0.0000 174.0931 86 D 4.6077 8.0374 120.9760 54.2021 41.6742 176.6425 *88 N 4.8992 8.4657 118.0538 52.7275 39.3218 174.8953 89 D 4.2806 8.0711 117.2893 54.4847 41.8919 176.5384 90 L 3.9372 8.7142 127.1350 58.2904 41.7786 179.8338 91 C 4.1391 8.1962 117.2761 59.8021 43.0667 175.3938 92 L 4.0360 8.5760 120.7079 57.7629 41.2402 179.4041 93 R 3.8041 8.3259 118.6664 59.5144 29.9500 178.3881 94 A 3.9298 7.8746 120.3491 55.0894 18.2977 179.7708 95 V 3.4260 7.7526 116.7427 66.1869 31.5589 177.2241 96 C 2.7819 8.1277 118.4887 59.4592 43.7661 175.5489 97 E 3.7728 8.3220 120.3543 59.3567 29.0201 178.5344 98 C 4.1458 8.4022 116.9350 60.2127 39.1738 175.9174 99 D 3.9881 8.1922 120.4631 57.2757 40.4329 178.9622 100 R 3.8447 8.0516 118.9496 59.3778 30.1383 178.2566 101 A 3.9662 8.1795 120.5613 55.2565 18.3197 179.5293 102 A 3.9288 8.0217 118.9469 55.0779 18.4826 179.7536 103 A 3.9388 8.5615 119.8126 55.3564 18.4116 179.9826 104 I 3.6978 7.8809 118.3965 64.5266 36.9310 177.8592 105 C 4.2458 8.0383 118.3970 59.7012 44.2349 175.2916 106 L 4.0785 8.4045 121.1565 57.6027 40.6943 179.7836 107 G 3.6010 8.0954 105.6782 47.9004 0.0000 175.5829 108 E 4.1730 8.2613 119.6562 57.9727 29.6296 177.5808 109 N 5.0765 7.8780 115.4431 52.7005 39.7972 176.7208 110 V 3.8484 7.7455 121.3291 64.4426 31.6597 178.0298 111 N 4.3414 8.3902 117.5256 55.3646 36.8855 175.4681 112 T 4.5216 7.7003 106.2079 60.9618 69.1715 173.6151 113 Y 4.0142 8.0750 124.5689 58.4818 39.2504 174.6199 114 D 4.9899 8.8006 126.0772 52.0788 43.2048 176.3441 115 K 4.1181 8.7925 127.0775 59.4522 32.3064 179.0030 116 N 4.2472 7.8002 115.0726 55.8486 38.5833 175.4589 117 Y 4.2354 7.3005 114.9324 58.6274 38.2910 175.3518 118 E 4.2162 7.6871 120.8884 57.7326 29.6380 176.4039 119 Y 3.7991 8.7659 120.0014 59.0157 35.7966 171.1583 120 Y 4.2593 7.9938 123.9529 60.4157 39.1552 178.1680 121 S 4.2539 8.2152 113.5402 60.9833 63.6722 175.3031 122 I 3.6371 7.5165 121.2297 64.6798 36.8661 177.8546 *124 S 4.7419 7.7221 111.4784 58.2773 64.1588 173.6438 125 H 4.4979 6.9652 118.1930 55.9258 30.7069 173.7912 126 C 3.9405 9.0355 121.2588 59.4584 37.1869 173.6709 127 T 4.1953 7.1358 105.0584 61.5492 69.4173 174.3304 128 E 4.2991 7.7782 122.3818 55.9297 31.1755 175.8219 129 E 4.2750 8.7046 120.3948 57.3871 29.7985 177.8178 130 S 5.0301 8.5275 119.6207 57.3534 64.0801 174.0611 131 E 3.8999 8.2001 120.9346 56.3609 29.5554 176.8100 132 Q 4.7430 8.1879 119.9062 54.0070 31.5399 176.5617 133 C 4.4226 9.1453 119.0651 57.4201 41.1920 173.5719 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 1 N 8.28 4.91 0.00 3.05 2.97 0.00 0.00 6.14 5.79 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 2 L 8.34 4.12 0.00 1.93 1.91 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.22 4.08 0.00 3.14 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 4 Q 9.07 4.17 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 5 F 8.46 4.57 0.00 3.29 3.29 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 6 G 8.37 3.39 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 0.00 7 D 7.85 4.18 0.00 2.75 2.94 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 8 M 8.32 3.92 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 9 I 7.97 3.45 1.66 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 -0.07 0.77 0.00 0.00 10 L 7.82 4.06 0.00 1.75 1.72 0.83 0.86 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 11 Q 7.75 3.58 0.00 1.56 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 1.74 2.14 0.00 12 K 7.77 4.27 0.00 1.72 1.84 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.57 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.43 1.59 7.81 13 T 7.97 4.37 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 1.18 0.00 0.00 14 G 8.14 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 0.00 0.00 0.00 *16 K 7.37 3.98 0.00 1.88 1.62 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.31 7.81 17 E 8.31 4.51 0.00 2.04 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 2.30 2.24 0.00 18 A 8.77 4.09 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 19 V 7.76 3.75 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 0.82 0.00 0.00 0.82 0.00 0.00 20 H 7.95 4.97 0.00 3.20 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.83 4.82 0.00 3.35 3.46 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 22 Y 8.88 4.14 0.00 3.12 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 23 A 8.35 4.22 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.13 4.58 1.43 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.23 0.87 0.00 0.00 25 Y 8.38 4.91 0.00 3.17 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 26 G 8.24 3.82 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 0.00 0.00 0.00 27 C 9.34 4.65 0.00 2.96 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 28 Y 8.75 4.47 0.00 3.30 3.23 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 29 C 8.97 4.68 0.00 3.48 3.51 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 30 G 7.86 4.56 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 31 W 8.93 4.50 0.00 3.34 3.36 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 32 G 8.05 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 0.00 0.00 0.00 33 G 7.08 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 34 Q 7.16 4.41 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 35 G 8.65 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 0.00 0.00 0.00 0.00 36 R 8.08 4.56 0.00 1.83 2.00 0.00 3.26 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 37 A 8.56 4.46 1.17 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 0.00 0.00 0.00 0.00 0.00 38 Q 8.88 3.91 0.00 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.08 1.16 0.00 39 D 7.15 4.46 0.00 2.85 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 40 A 8.66 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.97 3.84 4.50 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 0.97 0.00 0.00 42 D 8.83 4.50 0.00 2.93 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 43 R 8.29 3.96 0.00 2.07 1.99 0.00 3.20 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 44 C 8.35 4.17 0.00 3.13 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 45 C 8.07 4.26 0.00 3.25 3.39 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 46 F 8.52 4.09 0.00 2.45 2.97 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 47 A 8.31 3.59 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.82 3.53 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 1.18 1.79 0.00 49 D 7.81 4.13 0.00 2.69 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 50 C 7.47 4.15 0.00 2.72 2.90 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 51 C 8.09 4.28 0.00 2.96 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 52 Y 8.49 4.33 0.00 3.08 2.89 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 53 G 7.92 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 0.00 0.00 0.00 54 R 7.53 4.52 0.00 1.99 1.95 0.00 3.06 0.00 0.00 3.11 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 55 N 7.59 4.74 0.00 2.64 2.67 0.00 0.00 7.14 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 56 L 7.95 4.17 0.00 1.64 1.63 0.91 0.94 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 *59 V 7.83 3.65 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 0.95 0.00 0.00 0.92 0.00 0.00 *61 C 7.67 4.59 0.00 3.16 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 *67 N 8.26 4.85 0.00 2.78 2.72 0.00 0.00 7.68 7.71 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 68 P 0.00 4.09 0.00 1.63 0.71 0.00 3.58 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 69 K 8.01 4.16 0.00 1.73 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.41 7.81 70 T 7.64 4.11 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 1.27 0.00 0.00 71 A 7.64 3.80 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 72 T 8.22 4.21 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 1.13 0.00 0.00 73 Y 7.28 4.72 0.00 3.22 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 74 T 9.85 5.02 4.33 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 1.36 0.00 0.00 75 Y 8.45 5.51 0.00 3.18 2.95 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 76 S 9.16 4.60 0.00 3.88 3.92 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 77 F 8.86 5.33 0.00 3.17 3.08 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 78 E 8.43 4.19 0.00 1.96 1.74 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 2.16 2.20 0.00 79 N 9.36 4.05 0.00 2.77 2.78 0.00 0.00 7.40 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 80 G 7.74 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 81 D 7.07 4.92 0.00 2.68 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 82 I 8.34 5.02 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.99 1.04 0.00 0.00 83 V 8.76 4.40 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 1.00 0.00 0.00 0.94 0.00 0.00 84 C 8.98 5.10 0.00 3.06 2.95 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 85 G 9.26 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 86 D 8.04 4.61 0.00 2.76 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 *88 N 8.47 4.90 0.00 2.86 3.00 0.00 0.00 6.29 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 89 D 8.07 4.28 0.00 2.74 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 90 L 8.71 3.94 0.00 1.68 1.71 0.91 0.88 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 91 C 8.20 4.14 0.00 2.96 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 92 L 8.58 4.04 0.00 1.77 1.98 0.96 0.77 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 93 R 8.33 3.80 0.00 2.00 2.11 0.00 3.10 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 94 A 7.87 3.93 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 95 V 7.75 3.43 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 1.04 0.00 0.00 0.75 0.00 0.00 96 C 8.13 2.78 0.00 2.11 2.90 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 97 E 8.32 3.77 0.00 1.91 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 2.50 2.44 0.00 98 C 8.40 4.15 0.00 3.31 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 99 D 8.19 3.99 0.00 2.72 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 0.00 100 R 8.05 3.84 0.00 1.81 2.06 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 101 A 8.18 3.97 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 0.00 102 A 8.02 3.93 1.29 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 0.00 0.00 103 A 8.56 3.94 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 0.00 104 I 7.88 3.70 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.71 0.92 0.00 0.00 105 C 8.04 4.25 0.00 3.06 3.29 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 0.00 106 L 8.40 4.08 0.00 1.53 1.21 0.28 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.10 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.26 4.17 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 109 N 7.88 5.08 0.00 2.85 2.82 0.00 0.00 6.57 6.96 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 0.00 110 V 7.75 3.85 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 0.78 0.00 0.00 1.02 0.00 0.00 111 N 8.39 4.34 0.00 2.87 3.05 0.00 0.00 5.89 7.71 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 0.00 112 T 7.70 4.52 4.33 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 1.26 0.00 0.00 113 Y 8.08 4.01 0.00 3.11 2.98 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 0.00 0.00 0.00 114 D 8.80 4.99 0.00 2.75 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 0.00 115 K 8.79 4.12 0.00 1.91 1.91 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 2.00 1.68 7.81 116 N 7.80 4.25 0.00 2.38 2.57 0.00 0.00 7.02 6.74 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 0.00 117 Y 7.30 4.24 0.00 1.60 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 0.00 0.00 0.00 118 E 7.69 4.22 0.00 2.07 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 2.43 2.39 0.00 119 Y 8.77 3.80 0.00 3.30 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 0.00 120 Y 7.99 4.26 0.00 3.11 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 0.00 121 S 8.22 4.25 0.00 4.20 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.52 3.64 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.10 0.87 0.00 0.00 *124 S 7.72 4.74 0.00 3.56 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 0.00 125 H 6.97 4.50 0.00 2.47 2.73 0.00 5.93 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 9.04 3.94 0.00 3.11 3.30 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 0.00 127 T 7.14 4.20 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 1.25 0.00 0.00 128 E 7.78 4.30 0.00 1.95 1.94 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 2.42 2.32 0.00 129 E 8.70 4.27 0.00 1.85 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 2.33 2.37 0.00 130 S 8.53 5.03 0.00 3.79 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 0.00 131 E 8.20 3.90 0.00 1.16 1.12 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 2.13 1.47 0.00 132 Q 8.19 4.74 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 133 C 9.15 4.42 0.00 2.96 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 * Residues marked with a * may have inaccurate shift predictions.