NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4531 8.3049 120.3460 55.7015 33.4105 174.0686 2 K 4.1974 7.7406 119.3637 55.3423 36.2019 174.5572 3 T 4.2250 7.1375 116.0444 67.8465 69.9151 177.3991 4 Y 4.0100 5.3989 120.7556 59.2336 39.9489 177.1825 5 V 3.6245 7.9209 120.0274 61.6764 31.7209 174.7876 6 P 4.7299 0.0000 0.0000 61.9115 33.7109 173.3958 7 K 4.7186 7.8029 116.8961 56.9618 35.3179 175.2200 8 Q 3.7732 8.1937 116.6409 57.1115 28.1287 178.6120 9 V 3.5784 8.8535 118.7504 63.2501 32.3044 175.2779 10 E 4.1472 8.6128 127.8844 54.9723 30.1705 174.8667 11 P 4.2128 0.0000 0.0000 63.1207 30.0594 175.7767 12 R 4.3163 8.0595 126.6916 54.8446 29.0183 175.2146 13 W 4.4141 8.5416 123.2457 56.9104 30.5075 175.1937 14 V 4.5854 8.6770 120.0339 61.5194 34.9605 173.3602 15 L 5.2591 8.3540 128.4781 53.8852 44.8506 174.5203 16 I 4.6209 7.2227 122.7048 59.8583 42.3137 172.7428 17 D 5.5520 8.2146 135.0000 54.4806 43.6828 175.3606 18 A 4.3505 7.8224 128.7397 52.5809 18.8425 182.5787 19 E 3.2246 7.5364 113.3675 59.2129 33.7944 178.5679 20 G 4.0056 8.1187 114.1045 44.4338 0.0000 172.5701 21 K 4.7098 8.7786 122.4799 53.8040 34.6676 175.3173 22 T 5.0829 8.7692 116.9672 61.5374 69.3548 173.4437 23 L 3.9780 8.5271 127.0373 57.0313 41.3461 176.3998 24 G 4.4012 9.1574 115.4787 46.4149 0.0000 176.2052 25 R 3.9578 7.6643 117.8475 58.0821 30.2377 178.1425 26 L 4.2006 7.6808 119.0123 57.3428 42.3940 178.2223 27 A 4.1059 8.0389 120.2967 55.4734 18.3171 179.0780 28 T 3.7594 8.0126 111.6027 65.1871 66.9047 176.2272 29 K 3.9847 8.5340 120.5465 59.0993 32.3219 179.0051 30 I 3.5954 7.6699 118.2998 62.9603 36.9297 177.5191 31 A 4.1767 7.8281 122.1805 54.7953 19.2741 179.5896 32 T 3.7562 7.3702 112.0177 66.3411 68.4407 176.6195 33 L 3.9044 8.7184 121.4416 57.1942 42.1130 178.5075 34 L 3.9851 7.4602 120.5612 56.7547 42.2855 176.9089 35 R 4.9462 7.3096 114.5469 54.3363 31.3904 178.3305 36 G 4.3314 8.8234 107.5193 44.8260 0.0000 175.1829 37 K 2.4800 8.0964 124.1034 57.7425 32.3551 176.9989 38 H 4.5057 7.8851 112.8898 57.7950 29.4371 176.3527 39 R 4.0105 7.3026 117.5004 55.4167 30.3154 174.5071 40 P 4.6754 0.0000 0.0000 63.2986 31.9033 176.9221 41 D 4.1205 8.5610 119.8959 57.9296 40.9634 177.6920 42 W 4.3262 7.4833 123.9535 59.0438 27.7423 174.0772 43 T 4.1374 7.4954 127.4991 60.3195 68.4426 174.5806 44 P 3.5049 0.0000 0.0000 61.2989 30.4014 177.9816 45 N 4.7162 8.7192 113.1283 54.5074 38.5688 175.0541 46 V 3.9840 7.8926 117.8938 62.4718 34.0703 175.6771 47 A 4.0016 8.3609 120.7421 52.8266 15.0609 178.6799 48 M 4.8824 7.7779 121.2080 52.9300 31.1266 176.3322 49 G 4.9826 7.7352 107.6020 43.6143 0.0000 170.0625 50 D 4.6945 9.1373 123.9712 53.8803 41.7916 176.1078 51 F 4.0769 9.3411 122.9533 57.0765 39.8610 174.5325 52 V 4.0850 8.1947 124.6650 62.4130 32.8450 174.6379 53 V 4.7984 8.7791 127.8520 61.2435 34.1463 174.2112 54 V 4.5559 8.6197 128.8607 61.8340 33.0676 175.2199 55 V 4.5300 8.3063 126.6248 59.5894 34.1611 175.2421 56 N 4.1297 8.7697 115.2551 54.3668 37.1506 175.5458 57 A 4.3290 8.9096 124.7881 52.4718 19.2421 176.9298 58 D 4.0552 9.4144 111.5703 54.1217 41.8372 176.9025 59 K 3.9946 8.6113 120.0165 58.1070 31.5233 175.7619 60 I 4.0684 9.0050 116.8484 61.1582 38.0438 175.7754 61 R 4.8528 8.4109 123.5159 54.7483 32.9338 175.8436 62 V 4.6877 8.0381 120.5573 60.3670 34.2798 175.1989 63 T 3.8925 9.1337 121.8912 64.3564 69.7482 175.7130 64 G 3.9911 7.5500 109.5733 46.7081 0.0000 175.1845 65 K 4.4964 8.3693 127.0414 55.9647 32.1456 177.5983 66 K 3.9049 7.7003 117.8788 57.7364 32.2796 176.0864 67 L 4.7277 8.5894 120.4344 54.7463 42.4145 176.1125 68 E 3.9419 10.4701 124.8741 56.7878 25.8556 175.3571 69 Q 4.7787 7.8753 116.4507 57.0291 36.9800 175.3092 70 K 4.2106 7.6986 119.6411 56.6588 33.3655 175.3255 71 I 5.0346 8.1295 126.7454 60.0262 40.8532 174.2417 72 Y 4.4490 9.9086 125.4705 57.2478 39.7946 174.8157 73 T 5.3559 8.3133 117.7061 61.1474 72.5138 173.3493 74 R 4.8007 8.3947 121.1179 55.1115 35.3535 173.6787 75 Y 5.1208 8.4326 121.3034 55.8652 40.9396 174.9577 76 S 4.1390 8.6878 123.4726 58.5223 63.4649 175.7040 77 G 3.3479 8.7194 109.6625 48.8370 0.0000 174.3823 78 Y 4.0902 8.0757 117.5817 56.9666 38.4533 174.0198 79 P 4.4541 0.0000 0.0000 64.1332 31.6971 177.0101 80 G 4.0276 9.3882 111.6679 45.5525 0.0000 173.0325 81 G 3.9512 8.0040 108.0570 45.5227 0.0000 173.2030 82 L 4.7015 8.0256 122.0604 54.3573 43.0825 175.8405 83 K 4.5482 8.9227 125.7265 54.8557 34.3154 175.5093 84 K 4.6501 8.8167 125.1482 54.8193 33.1164 175.2275 85 I 4.4770 8.2681 125.7677 58.8023 38.9953 175.0172 86 P 4.8446 0.0000 0.0000 61.9849 32.3853 175.8759 87 L 4.1543 8.6172 118.4818 58.4360 42.8458 178.7961 88 E 3.8520 8.1800 117.4557 59.9861 29.2758 179.4661 89 K 3.8770 7.9557 117.0720 60.0295 32.0991 179.0025 90 M 3.9510 7.0938 114.9468 58.6207 31.8755 178.5763 91 L 4.1086 8.0460 118.1074 57.4265 42.0118 178.9743 92 A 4.1855 8.2051 119.9328 53.6712 18.3747 177.5132 93 T 4.0136 7.4181 108.6296 62.9470 70.8665 172.5694 94 H 4.4256 8.9717 125.9847 57.5033 25.5037 175.3580 95 P 4.2706 0.0000 0.0000 65.7068 30.6141 176.4541 96 E 4.1700 8.1260 116.1235 58.3037 29.5004 178.8448 97 R 4.0855 7.7983 120.1465 59.0736 29.9913 178.4057 98 V 3.7324 7.5616 117.7043 66.2103 31.2640 176.4813 99 L 4.2695 7.9736 118.9260 56.2162 42.2970 178.1107 100 E 3.8485 8.3602 117.8297 59.7960 29.8517 179.1537 101 H 4.1547 8.9314 118.3078 59.4365 29.7840 176.7637 102 A 4.1193 7.5426 121.6238 55.5348 18.1672 179.6285 103 V 3.6900 8.1825 116.0265 65.8249 31.9812 177.6528 104 K 4.4295 8.6432 119.9994 59.6323 31.9242 180.2260 105 G 4.1959 7.7471 103.8961 44.2899 0.0000 174.5099 106 M 4.7274 8.7789 117.1230 55.6260 35.0049 174.3018 107 L 4.7943 7.5972 118.8060 51.7151 44.9897 173.4906 108 P 4.4788 0.0000 0.0000 63.3629 31.4412 176.1805 109 K 4.4050 8.4915 116.5001 57.2390 34.2014 177.5943 110 G 4.0511 7.5897 109.9559 44.3988 0.0000 171.6915 111 P 4.1731 0.0000 0.0000 65.8312 31.3412 177.7295 112 L 4.0046 8.0545 118.3395 58.3721 41.9146 178.6896 113 G 3.8317 8.2080 104.7435 48.4544 0.0000 175.4570 114 R 3.9864 7.9828 120.7487 58.6639 29.8551 179.2327 115 R 3.9519 8.0731 117.9335 58.8067 30.2021 178.4823 116 L 4.0055 7.9770 119.2581 57.6970 41.7969 178.6138 117 F 3.8490 8.1623 120.5587 61.5433 39.0597 177.1346 118 K 4.2721 7.8056 115.6613 58.3548 31.6915 177.2615 119 R 4.3464 8.3588 119.3441 55.4012 31.3107 175.1357 120 L 4.9798 7.8187 120.5636 53.2945 45.1410 175.7947 121 K 4.3419 9.0077 125.5021 54.7520 34.8051 175.3974 122 V 4.3398 8.1533 125.9470 61.8034 32.1467 174.4641 123 Y 4.6986 8.9895 125.7438 56.3792 41.1988 175.2623 124 A 4.6560 8.7443 123.2645 51.4634 19.2476 176.0612 125 G 4.1466 8.9582 109.2924 46.0187 0.0000 171.7118 126 P 4.1556 0.0000 0.0000 62.6721 31.4456 177.1493 127 D 4.2005 8.9955 115.8528 54.7735 38.9771 175.2282 128 H 3.8249 7.9827 112.8307 54.8779 28.3101 173.6941 129 P 4.0764 0.0000 0.0000 65.8880 30.7863 176.6230 130 H 4.0858 7.4998 114.8504 54.6364 28.6284 174.5691 131 Q 4.2858 8.4050 125.6298 54.0633 29.5443 175.0258 132 A 4.3232 7.5208 131.8903 50.6889 19.0970 175.1327 133 Q 3.9183 8.2222 120.0284 55.6285 29.5488 172.5491 134 R 5.1823 7.8380 115.9337 55.4043 30.1211 172.6924 135 P 4.4423 0.0000 0.0000 62.8104 31.3678 175.9195 136 E 4.2241 7.8097 117.1937 56.4208 30.5022 177.6548 137 K 4.7988 8.8815 121.3671 54.8522 36.7726 175.4927 138 L 4.6919 8.4230 123.0494 53.5507 44.8179 177.4400 *139 E 4.1261 8.7057 117.3485 56.2393 30.4143 174.3307 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 M 8.30 4.45 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 2 K 7.74 4.20 0.00 1.21 1.30 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.49 7.81 3 T 7.14 4.22 4.12 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 1.18 0.00 0.00 4 Y 5.40 4.01 0.00 3.07 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 5 V 7.92 3.62 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 0.83 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.73 0.00 2.23 2.18 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.25 0.00 7 K 7.80 4.72 0.00 1.84 1.75 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.49 7.81 8 Q 8.19 3.77 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 9 V 8.85 3.58 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 0.76 0.00 0.00 1.04 0.00 0.00 10 E 8.61 4.15 0.00 1.97 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 2.31 2.38 0.00 11 P 0.00 4.21 0.00 1.35 1.68 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 12 R 8.06 4.32 0.00 1.99 2.16 0.00 3.27 0.00 0.00 3.37 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 13 W 8.54 4.41 0.00 3.10 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 14 V 8.68 4.59 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 0.96 0.00 0.00 1.04 0.00 0.00 15 L 8.35 5.26 0.00 1.78 1.48 0.91 0.69 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 16 I 7.22 4.62 1.88 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 1.12 1.07 1.00 0.00 0.00 17 D 8.21 5.55 0.00 2.96 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 18 A 7.82 4.35 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 19 E 7.54 3.22 0.00 2.25 2.88 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 2.35 2.27 0.00 20 G 8.12 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.78 4.71 0.00 1.85 1.65 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.35 7.81 22 T 8.77 5.08 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 1.22 0.00 0.00 23 L 8.53 3.98 0.00 1.70 1.74 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.16 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 0.00 0.00 0.00 0.00 25 R 7.66 3.96 0.00 1.97 2.01 0.00 3.36 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 26 L 7.68 4.20 0.00 1.79 1.75 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.04 4.11 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 28 T 8.01 3.76 4.37 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 1.27 0.00 0.00 29 K 8.53 3.98 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.63 7.81 30 I 7.67 3.60 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.85 0.00 0.00 31 A 7.83 4.18 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 32 T 7.37 3.76 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 1.06 0.00 0.00 33 L 8.72 3.90 0.00 1.38 1.62 0.81 0.87 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 34 L 7.46 3.99 0.00 1.84 1.62 0.84 0.99 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 35 R 7.31 4.95 0.00 2.47 2.18 0.00 2.88 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.30 0.00 36 G 8.82 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 0.00 0.00 0.00 0.00 37 K 8.10 2.48 0.00 0.89 1.69 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 0.66 7.81 38 H 7.89 4.51 0.00 3.28 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.30 4.01 0.00 1.82 1.90 0.00 3.17 0.00 0.00 3.42 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.22 0.00 40 P 0.00 4.68 0.00 2.19 2.15 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 41 D 8.56 4.12 0.00 2.77 2.83 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 42 W 7.48 4.33 0.00 3.26 3.42 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 43 T 7.50 4.14 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 1.07 0.00 0.00 44 P 0.00 3.50 0.00 1.90 1.58 0.00 3.28 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 45 N 8.72 4.72 0.00 2.71 2.72 0.00 0.00 6.58 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 46 V 7.89 3.98 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 0.76 0.00 0.00 0.92 0.00 0.00 47 A 8.36 4.00 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 48 M 7.78 4.88 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 49 G 7.74 4.98 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 0.00 0.00 0.00 50 D 9.14 4.69 0.00 2.61 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 51 F 9.34 4.08 0.00 1.68 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 0.00 0.00 0.00 52 V 8.19 4.08 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 0.92 0.00 0.00 0.98 0.00 0.00 53 V 8.78 4.80 2.45 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 1.30 0.00 0.00 1.42 0.00 0.00 54 V 8.62 4.56 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 0.95 0.00 0.00 0.94 0.00 0.00 55 V 8.31 4.53 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 0.74 0.00 0.00 1.00 0.00 0.00 56 N 8.77 4.13 0.00 2.87 3.00 0.00 0.00 6.95 7.96 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 57 A 8.91 4.33 1.27 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 0.00 0.00 0.00 58 D 9.41 4.06 0.00 2.91 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 59 K 8.61 3.99 0.00 2.08 1.99 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.55 7.81 60 I 9.01 4.07 1.88 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 1.32 0.71 1.00 0.00 0.00 61 R 8.41 4.85 0.00 1.71 1.82 0.00 3.25 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 62 V 8.04 4.69 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 0.73 0.00 0.00 0.96 0.00 0.00 63 T 9.13 3.89 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 64 G 7.55 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 65 K 8.37 4.50 0.00 1.86 1.80 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.50 7.81 66 K 7.70 3.90 0.00 1.92 1.90 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.46 7.81 67 L 8.59 4.73 0.00 1.55 1.60 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 68 E 10.47 3.94 0.00 2.12 2.23 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 2.25 2.42 0.00 69 Q 7.88 4.78 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 70 K 7.70 4.21 0.00 2.14 1.90 0.00 1.41 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.70 1.49 7.81 71 I 8.13 5.03 1.89 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 1.40 0.98 0.98 0.00 0.00 72 Y 9.91 4.45 0.00 2.89 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 73 T 8.31 5.36 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 1.30 0.00 0.00 74 R 8.39 4.80 0.00 1.76 1.80 0.00 3.09 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 75 Y 8.43 5.12 0.00 2.86 2.87 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 76 S 8.69 4.14 0.00 3.68 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 77 G 8.72 3.35 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 0.00 78 Y 8.08 4.09 0.00 3.00 2.93 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 79 P 0.00 4.45 0.00 2.11 2.06 0.00 3.79 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 2.07 2.12 0.00 80 G 9.39 4.03 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 0.00 0.00 0.00 81 G 8.00 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 82 L 8.03 4.70 0.00 1.77 1.66 1.04 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 83 K 8.92 4.55 0.00 1.99 1.75 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.57 7.81 84 K 8.82 4.65 0.00 1.64 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.41 7.81 85 I 8.27 4.48 1.95 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 1.25 1.11 0.89 0.00 0.00 86 P 0.00 4.84 0.00 2.19 2.03 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 87 L 8.62 4.15 0.00 1.85 1.65 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.18 3.85 0.00 2.04 1.99 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 2.42 2.53 0.00 89 K 7.96 3.88 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 90 M 7.09 3.95 0.00 1.59 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.56 0.00 91 L 8.05 4.11 0.00 1.81 1.69 0.90 0.67 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 92 A 8.21 4.19 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 93 T 7.42 4.01 4.17 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 1.26 0.00 0.00 94 H 8.97 4.43 0.00 3.40 3.42 0.00 5.96 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.27 0.00 2.25 2.53 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 96 E 8.13 4.17 0.00 2.21 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 0.00 2.36 2.29 0.00 97 R 7.80 4.09 0.00 1.88 2.05 0.00 3.22 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 98 V 7.56 3.73 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 1.01 0.00 0.00 0.82 0.00 0.00 99 L 7.97 4.27 0.00 1.73 1.70 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.36 3.85 0.00 2.33 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 2.20 2.38 0.00 101 H 8.93 4.15 0.00 3.37 3.60 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.54 4.12 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 0.00 103 V 8.18 3.69 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 0.78 0.00 0.00 0.95 0.00 0.00 104 K 8.64 4.43 0.00 2.14 2.03 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.63 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.45 1.51 7.81 105 G 7.75 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 0.00 0.00 0.00 0.00 106 M 8.78 4.73 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.52 0.00 107 L 7.60 4.79 0.00 1.64 1.62 1.10 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.48 0.00 2.15 2.07 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 109 K 8.49 4.40 0.00 1.73 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.41 7.81 110 G 7.59 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 0.00 111 P 0.00 4.17 0.00 2.15 2.12 0.00 3.61 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 112 L 8.05 4.00 0.00 1.73 1.68 0.91 0.94 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 0.00 113 G 8.21 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 0.00 114 R 7.98 3.99 0.00 2.03 1.96 0.00 3.08 0.00 0.00 3.03 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 115 R 8.07 3.95 0.00 1.89 2.10 0.00 3.25 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 116 L 7.98 4.01 0.00 1.93 1.66 0.99 0.77 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 0.00 117 F 8.16 3.85 0.00 3.18 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 0.00 118 K 7.81 4.27 0.00 1.85 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.86 7.81 119 R 8.36 4.35 0.00 1.34 0.78 0.00 2.21 0.00 0.00 2.49 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.41 0.00 120 L 7.82 4.98 0.00 1.31 1.14 0.53 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.01 4.34 0.00 2.19 2.08 0.00 1.62 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.76 1.53 7.81 122 V 8.15 4.34 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 0.80 0.00 0.00 0.87 0.00 0.00 123 Y 8.99 4.70 0.00 2.99 2.87 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 0.00 124 A 8.74 4.66 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 0.00 125 G 8.96 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 4.16 0.00 2.20 1.99 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 127 D 9.00 4.20 0.00 2.74 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 0.00 128 H 7.98 3.82 0.00 3.14 3.31 0.00 5.56 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 0.00 129 P 0.00 4.08 0.00 2.00 2.02 0.00 2.37 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.27 0.00 130 H 7.50 4.09 0.00 3.06 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.40 4.29 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.52 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 132 A 7.52 4.32 0.72 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 0.00 133 Q 8.22 3.92 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.61 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 134 R 7.84 5.18 0.00 1.91 1.94 0.00 3.17 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 135 P 0.00 4.44 0.00 2.21 2.13 0.00 3.96 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 2.21 2.17 0.00 136 E 7.81 4.22 0.00 1.85 1.93 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 2.33 2.39 0.00 137 K 8.88 4.80 0.00 1.58 1.64 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.64 7.81 138 L 8.42 4.69 0.00 1.48 1.53 0.92 0.85 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 *139 E 8.71 4.13 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.