NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4049 8.0433 122.6798 54.8725 43.0656 175.0958 4 I 4.5689 8.4014 125.4754 58.0115 39.0373 169.9720 5 V 4.4067 9.6822 127.3936 61.1645 35.2060 173.4408 6 N 5.0755 8.9502 125.4830 51.9435 40.4352 174.2368 7 V 4.6586 8.7690 125.6598 61.5657 33.1304 174.2060 8 I 4.8056 9.0083 130.2684 59.6642 39.5123 174.6135 9 N 5.4413 9.3152 125.4168 51.7895 41.1257 175.4859 10 G 4.4428 8.9128 113.2293 43.7111 0.0000 170.8833 11 P 4.5945 0.0000 0.0000 63.8753 31.6306 176.4403 12 N 4.6378 9.1785 117.3890 53.5138 36.7710 176.1611 13 L 4.1462 7.6469 118.2502 57.0483 41.9299 179.0088 14 G 3.6801 8.0146 105.8565 47.1842 0.0000 174.1685 15 R 4.3336 7.6211 118.5523 55.8496 31.0279 176.3411 16 L 3.8941 7.4392 119.5117 56.4283 41.8313 176.6451 17 G 4.1938 8.6315 116.3978 45.3740 0.0000 175.1386 18 R 4.2726 7.6102 122.8554 54.0759 28.7750 177.2651 *23 V 3.9975 7.5234 124.3241 62.1222 33.3407 175.7634 *24 Y 4.2456 8.3439 114.5133 58.3595 37.4948 173.1091 25 G 4.0481 8.3824 110.5687 45.1338 0.0000 172.7915 26 G 3.9997 8.4445 104.8126 46.3589 0.0000 173.8242 27 T 4.2777 7.8125 116.3034 63.2404 69.2726 175.1665 28 T 4.8999 8.3449 117.8710 60.5916 71.4405 175.5923 29 H 4.0618 8.5975 120.2896 59.3221 29.7297 176.9344 30 D 4.3191 8.0578 120.4247 57.4771 40.7506 178.4679 31 E 3.9583 8.1229 118.7528 59.0119 29.4890 179.1148 32 L 3.8433 8.0054 120.9195 57.9751 42.1201 179.1759 33 V 3.4135 7.7677 118.0582 65.8400 31.4378 177.8981 34 A 3.9693 7.6714 120.6415 55.1880 18.3516 179.6678 35 L 3.9675 7.9637 117.5059 57.7570 41.5809 179.9233 36 I 3.7186 7.6272 119.6786 64.5279 37.1797 178.3968 37 E 4.0171 8.1955 119.3766 59.2213 29.0600 179.4774 38 R 3.9033 7.9886 119.0327 59.2736 30.2745 178.2062 39 E 3.9351 8.1488 118.6230 59.1650 29.6520 178.6458 40 A 4.0653 8.5149 121.1594 54.9421 18.2595 179.5175 41 A 3.9617 7.9112 119.0219 55.3582 18.2722 179.6986 42 E 3.9943 7.9517 115.7018 58.3761 29.5851 178.3512 43 L 4.6193 7.2503 115.8669 53.3272 42.9007 176.1122 44 G 3.8095 7.8924 106.8880 46.7991 0.0000 173.4988 45 L 4.8560 8.3796 117.5596 52.3196 45.9317 176.7529 46 K 4.4116 8.5144 122.7230 54.9984 33.7713 174.9018 47 A 5.0746 8.5354 130.2005 50.4025 20.6047 176.0624 48 V 3.9215 8.6769 124.4100 62.1599 32.6769 174.8252 49 V 4.6521 8.1361 128.5869 61.4616 32.7853 175.1689 50 R 4.5369 8.7687 126.1083 54.3946 34.3996 173.9207 51 Q 5.2594 8.5565 122.4840 54.8047 32.2698 174.0532 52 S 4.7862 8.8379 118.0049 57.6841 65.5666 173.9704 53 D 4.5801 8.9186 124.1406 55.0185 41.6429 175.8303 54 S 4.5552 7.7977 115.5078 56.6964 63.7522 173.8633 55 E 3.8475 8.7421 129.5036 59.4781 29.6151 178.6099 56 A 3.9029 7.8672 120.2171 55.0213 18.4022 179.3230 57 Q 3.4291 7.4197 117.3150 59.1550 29.2355 178.2704 58 L 4.0110 7.4825 119.9481 57.7223 41.6005 179.5118 59 L 3.8929 8.1053 119.2393 57.8662 41.5692 179.0955 60 D 4.4387 7.7929 117.4017 57.1529 41.1127 178.3077 61 W 4.5216 7.9876 119.5492 59.9398 29.0483 178.5942 62 I 3.8230 7.8680 119.4531 64.5726 36.4087 178.1677 63 H 4.2837 8.1430 117.1564 59.1459 28.5562 177.9247 64 Q 4.0369 8.3085 119.6059 58.8821 28.4969 178.6500 65 A 4.0830 8.2382 121.6877 54.7539 18.2232 179.6344 66 A 3.9973 8.1135 119.6718 55.4742 18.3220 179.6603 67 D 4.2496 8.3951 116.3896 56.9703 40.9996 177.2314 68 A 4.3127 8.0672 119.0456 51.0097 19.6084 176.4456 69 A 3.8022 7.2396 118.6044 53.6270 16.6111 176.9782 70 E 4.8270 8.2763 119.5208 53.7873 32.5958 176.6237 71 P 4.6463 0.0000 0.0000 62.9343 33.1669 175.4145 72 V 4.8940 8.4290 121.2304 61.3914 34.9473 174.1489 73 I 4.7538 9.0297 129.6992 60.1680 38.8202 174.4828 74 L 5.1185 8.9534 129.3592 53.3400 45.0781 174.5529 75 N 5.2292 9.3580 125.6292 51.0601 39.7607 174.5995 76 A 4.3345 8.6483 128.3018 51.9819 20.3046 178.5134 77 G 3.9444 7.8878 105.6574 46.5188 0.0000 178.1812 78 G 3.7793 8.6840 113.1995 47.5840 0.0000 174.9015 79 L 4.4616 7.6876 121.6533 56.9036 41.4553 179.0950 80 T 3.8796 7.5910 116.5329 66.7174 68.2174 175.1006 81 H 4.8785 7.5694 113.3708 56.2270 29.4377 175.8213 82 T 4.5890 7.8066 109.6202 61.3882 70.4757 173.1631 83 S 4.6016 8.3339 117.6802 56.6431 62.5622 174.5380 84 V 3.3368 7.9126 128.1995 65.2721 31.4242 177.5422 85 A 3.9231 7.7922 120.3900 55.0792 18.2859 179.2074 86 L 3.8977 7.9736 118.8162 58.0223 42.2515 178.9921 87 R 3.8989 7.5931 117.5884 59.7930 29.8480 178.2814 88 D 4.3872 8.1965 117.1641 57.2146 41.0387 178.4730 89 A 4.1633 7.9161 120.9773 55.3876 18.3163 179.4999 90 C 4.2266 8.3298 114.6307 62.3847 27.9044 176.0507 91 A 4.0837 7.6538 121.6408 54.8328 17.9748 178.5931 92 E 4.0808 7.9053 115.9041 58.7953 29.8527 177.8115 93 L 4.1476 7.4518 119.3842 55.0926 42.1814 177.0760 94 S 4.4089 8.6823 118.5865 60.4666 63.8386 174.8964 95 A 4.4700 7.7102 120.2280 50.3808 19.6469 175.6513 96 P 4.2378 0.0000 0.0000 63.7279 32.3406 174.5631 97 L 5.1324 8.6173 125.0244 53.1994 44.5653 174.5422 98 I 4.8887 8.8062 127.0524 59.0847 40.7139 173.9096 99 E 4.6539 9.1964 131.6771 55.8897 30.8647 175.3560 100 V 4.7885 8.6827 125.5195 61.4177 35.5371 173.8101 101 H 4.9594 8.9356 123.7058 53.9499 32.1607 174.4567 102 I 4.0392 8.7424 117.3523 63.4397 38.5826 176.4319 103 S 4.7066 7.8651 115.3817 56.0636 64.8960 173.7496 104 N 4.4236 8.3423 120.0695 53.2707 37.7438 175.3675 105 V 3.4698 8.2098 126.4640 65.9663 31.6969 177.2279 106 H 4.5250 7.7857 113.2761 56.5770 28.7819 175.4683 107 A 4.6085 7.7844 121.7387 51.9630 20.0769 178.0369 108 R 4.5863 6.8317 114.1677 56.3168 30.2754 177.1530 109 E 4.0476 8.1873 125.2153 56.6396 30.4115 177.1510 110 E 3.8564 8.6743 122.6395 59.2908 29.8152 179.1949 111 F 4.3941 7.7427 111.9572 59.2460 37.9206 176.3885 112 R 3.6100 6.9718 120.4720 58.3093 29.9756 178.2121 113 R 3.8932 7.6382 115.3698 57.3214 30.2533 175.7105 114 H 4.9263 7.4425 117.8375 54.1693 31.8268 173.4392 115 S 4.6337 7.7371 118.7471 56.7947 65.1972 173.6102 116 Y 4.3296 8.5949 124.9419 60.2162 38.4192 177.5011 117 L 4.3050 7.9239 119.8333 57.1870 40.9953 179.1306 118 S 4.1709 8.0197 114.7659 61.3302 62.6272 174.8558 119 P 4.5327 0.0000 0.0000 64.5995 31.1587 177.0343 120 I 4.2320 7.0487 108.9851 60.6137 38.7705 175.9557 121 A 4.2810 7.4811 123.9993 52.2482 18.9915 177.7285 122 T 4.1023 8.8737 118.2114 66.4279 69.0130 175.1071 123 G 4.1585 7.7314 106.0178 44.8500 0.0000 171.5546 124 V 4.9446 8.0652 118.9579 61.0295 34.6259 174.3141 125 I 4.5279 8.9812 128.7005 59.4801 39.7026 174.7934 126 V 4.6149 7.9781 125.7599 62.1240 34.8336 176.1283 127 G 3.9526 8.8395 114.7540 46.0029 0.0000 173.4567 128 L 4.4971 7.3848 118.3092 53.9116 42.5075 178.9151 129 G 3.7187 7.7905 107.8649 46.4920 0.0000 176.4663 130 I 3.8562 8.3299 117.9305 64.1150 38.0235 177.7850 131 Q 4.3152 8.1870 119.3758 57.8174 29.0743 177.6538 132 G 3.6330 7.8051 107.1541 48.6318 0.0000 175.2328 133 Y 4.0947 7.6796 117.5995 60.8548 37.7720 178.6726 134 L 4.1059 7.9046 119.4948 57.7622 41.8082 179.3559 135 L 4.0962 8.4036 119.0420 57.4790 41.0025 179.3391 136 A 4.1014 7.8925 120.6061 54.9602 18.1389 179.6948 137 L 4.0487 7.9246 117.7319 57.9247 41.7692 179.6627 138 R 3.9359 7.9445 118.6241 59.4537 30.0910 177.8937 139 Y 4.1688 7.9681 119.1066 60.7825 38.5933 178.1085 140 L 3.9510 7.6499 117.3227 57.1876 41.7545 178.8981 141 A 4.1053 7.4698 120.3495 54.9098 18.2893 179.3270 142 E 3.9725 7.4366 115.6035 59.7328 29.8667 176.7749 143 H 4.2453 7.5350 118.6019 55.9670 28.8133 175.3518 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 3 L 8.04 4.40 0.00 1.36 1.64 0.92 0.37 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 4 I 8.40 4.57 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.12 0.93 0.00 0.00 5 V 9.68 4.41 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 1.09 0.00 0.00 0.94 0.00 0.00 6 N 8.95 5.08 0.00 2.79 2.66 0.00 0.00 6.15 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 7 V 8.77 4.66 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 1.10 0.00 0.00 0.94 0.00 0.00 8 I 9.01 4.81 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.79 1.19 0.00 0.00 9 N 9.32 5.44 0.00 2.67 2.77 0.00 0.00 6.39 7.50 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 10 G 8.91 4.44 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 0.00 0.00 0.00 11 P 0.00 4.59 0.00 2.21 2.09 0.00 3.67 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 12 N 9.18 4.64 0.00 3.00 3.12 0.00 0.00 7.15 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 13 L 7.65 4.15 0.00 1.86 1.76 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.01 3.68 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 0.00 0.00 0.00 15 R 7.62 4.33 0.00 2.00 1.98 0.00 3.33 0.00 0.00 3.18 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 16 L 7.44 3.89 0.00 1.79 1.85 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.63 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 0.00 0.00 0.00 0.00 18 R 7.61 4.27 0.00 1.97 1.96 0.00 3.11 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 *23 V 7.52 4.00 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 0.73 0.00 0.00 0.93 0.00 0.00 *24 Y 8.34 4.25 0.00 2.33 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 0.00 0.00 0.00 25 G 8.38 4.05 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 0.00 0.00 0.00 26 G 8.44 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 27 T 7.81 4.28 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 1.22 0.00 0.00 28 T 8.34 4.90 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 1.21 0.00 0.00 29 H 8.60 4.06 0.00 3.33 3.32 0.00 5.68 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 30 D 8.06 4.32 0.00 2.72 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 31 E 8.12 3.96 0.00 2.18 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 2.31 2.29 0.00 32 L 8.01 3.84 0.00 1.68 1.62 0.36 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.77 3.41 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 0.80 0.00 0.00 34 A 7.67 3.97 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 35 L 7.96 3.97 0.00 1.82 1.71 0.91 0.53 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 36 I 7.63 3.72 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.63 0.88 0.00 0.00 37 E 8.20 4.02 0.00 1.99 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 2.29 2.36 0.00 38 R 7.99 3.90 0.00 2.00 1.90 0.00 3.25 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 39 E 8.15 3.94 0.00 2.31 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 2.33 2.38 0.00 40 A 8.51 4.07 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 41 A 7.91 3.96 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 42 E 7.95 3.99 0.00 2.07 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 2.34 2.53 0.00 43 L 7.25 4.62 0.00 1.71 1.68 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.89 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 45 L 8.38 4.86 0.00 1.43 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.51 4.41 0.00 1.80 1.66 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.35 7.81 47 A 8.54 5.07 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 48 V 8.68 3.92 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 0.84 0.00 0.00 0.87 0.00 0.00 49 V 8.14 4.65 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 0.70 0.00 0.00 0.83 0.00 0.00 50 R 8.77 4.54 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.67 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.10 0.00 51 Q 8.56 5.26 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.09 0.00 52 S 8.84 4.79 0.00 3.95 3.59 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 53 D 8.92 4.58 0.00 2.82 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 54 S 7.80 4.56 0.00 3.83 3.59 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 55 E 8.74 3.85 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 2.34 2.36 0.00 56 A 7.87 3.90 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 57 Q 7.42 3.43 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 58 L 7.48 4.01 0.00 1.88 1.76 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.11 3.89 0.00 1.80 1.67 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 60 D 7.79 4.44 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.99 4.52 0.00 3.65 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 62 I 7.87 3.82 1.94 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 1.85 1.14 0.94 0.00 0.00 63 H 8.14 4.28 0.00 3.43 3.35 0.00 5.64 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 64 Q 8.31 4.04 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 65 A 8.24 4.08 1.44 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 0.00 0.00 66 A 8.11 4.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.25 0.00 2.70 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 68 A 8.07 4.31 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 69 A 7.24 3.80 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 70 E 8.28 4.83 0.00 1.81 1.85 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 2.24 2.38 0.00 71 P 0.00 4.65 0.00 2.09 2.00 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 72 V 8.43 4.89 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 1.08 0.00 0.00 1.00 0.00 0.00 73 I 9.03 4.75 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.34 1.02 0.00 0.00 74 L 8.95 5.12 0.00 1.75 1.49 1.07 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.36 5.23 0.00 2.84 3.04 0.00 0.00 6.96 7.36 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 76 A 8.65 4.33 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 77 G 7.89 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 78 G 8.68 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 0.00 0.00 0.00 79 L 7.69 4.46 0.00 1.85 1.75 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.59 3.88 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 1.25 0.00 0.00 81 H 7.57 4.88 0.00 3.33 3.45 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.81 4.59 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 1.36 0.00 0.00 83 S 8.33 4.60 0.00 3.89 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 84 V 7.91 3.34 1.85 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 0.98 0.00 0.00 0.22 0.00 0.00 85 A 7.79 3.92 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 86 L 7.97 3.90 0.00 1.77 1.67 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.59 3.90 0.00 2.00 2.06 0.00 3.42 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 88 D 8.20 4.39 0.00 2.78 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 89 A 7.92 4.16 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 90 C 8.33 4.23 0.00 3.16 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 91 A 7.65 4.08 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 92 E 7.91 4.08 0.00 2.22 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 0.00 2.37 2.31 0.00 93 L 7.45 4.15 0.00 1.68 1.64 0.95 1.06 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 94 S 8.68 4.41 0.00 3.87 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 95 A 7.71 4.47 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 96 P 0.00 4.24 0.00 2.26 2.36 0.00 3.68 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 2.12 2.03 0.00 97 L 8.62 5.13 0.00 1.81 1.57 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.81 4.89 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 1.05 1.60 1.02 0.00 0.00 99 E 9.20 4.65 0.00 2.04 1.76 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 2.23 2.22 0.00 100 V 8.68 4.79 1.68 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 -0.01 0.00 0.00 0.66 0.00 0.00 101 H 8.94 4.96 0.00 3.00 3.09 0.00 5.67 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 0.00 102 I 8.74 4.04 1.93 0.00 0.00 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 1.47 0.80 1.08 0.00 0.00 103 S 7.87 4.71 0.00 3.98 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 0.00 104 N 8.34 4.42 0.00 2.73 2.76 0.00 0.00 6.56 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 0.00 105 V 8.21 3.47 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 0.67 0.00 0.00 0.72 0.00 0.00 106 H 7.79 4.53 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.78 4.61 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 0.00 108 R 6.83 4.59 0.00 1.67 1.38 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 109 E 8.19 4.05 0.00 1.16 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 2.39 2.24 0.00 110 E 8.67 3.86 0.00 2.01 1.95 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 2.40 2.40 0.00 111 F 7.74 4.39 0.00 3.10 3.17 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 0.00 112 R 6.97 3.61 0.00 1.64 1.75 0.00 2.87 0.00 0.00 3.05 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.00 113 R 7.64 3.89 0.00 1.90 2.00 0.00 3.09 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 114 H 7.44 4.93 0.00 2.99 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.74 4.63 0.00 3.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.59 4.33 0.00 3.16 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 0.00 117 L 7.92 4.30 0.00 1.93 1.73 0.94 0.50 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 0.00 118 S 8.02 4.17 0.00 3.84 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 0.00 119 P 0.00 4.53 0.00 2.05 2.14 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 120 I 7.05 4.23 1.89 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 1.27 0.81 0.94 0.00 0.00 121 A 7.48 4.28 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 0.00 122 T 8.87 4.10 4.38 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 1.27 0.00 0.00 123 G 7.73 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 0.00 124 V 8.07 4.94 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 0.86 0.00 0.00 0.91 0.00 0.00 125 I 8.98 4.53 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.44 0.84 0.00 0.00 126 V 7.98 4.61 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 0.91 0.00 0.00 127 G 8.84 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 0.00 128 L 7.38 4.50 0.00 1.52 1.67 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.79 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 0.00 130 I 8.33 3.86 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.95 0.00 0.00 131 Q 8.19 4.32 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.81 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 0.00 0.00 0.00 133 Y 7.68 4.09 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 0.00 134 L 7.90 4.11 0.00 1.84 1.75 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.40 4.10 0.00 1.67 1.73 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.89 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.05 0.00 2.00 1.76 1.00 0.81 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 0.00 138 R 7.94 3.94 0.00 1.88 2.11 0.00 3.13 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 139 Y 7.97 4.17 0.00 3.09 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 0.00 140 L 7.65 3.95 0.00 1.88 1.72 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.47 4.11 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 0.00 142 E 7.44 3.97 0.00 2.10 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 2.31 2.34 0.00 143 H 7.54 4.25 0.00 2.64 3.05 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.