NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2395 8.2644 123.5837 51.2635 20.8035 176.0834 5 D 4.7601 8.0822 115.9218 55.0061 40.5568 174.7764 6 M 4.0609 8.6143 120.6112 56.2082 33.9662 177.9254 7 E 3.6569 8.0584 116.5310 56.2609 29.2173 177.4207 8 V 5.1382 7.7877 112.3376 62.2081 33.0980 168.9785 9 I 3.8126 7.1973 124.0608 61.2939 36.8639 176.0221 10 E 4.7386 8.8052 127.9259 54.4647 30.4718 175.6310 11 L 4.6010 9.0064 130.1575 55.2295 42.7830 177.3385 12 N 4.7192 10.1836 117.5488 52.3736 37.2183 172.5909 13 K 4.5521 8.0969 117.5610 55.7546 34.5353 175.4230 14 C 4.9238 8.5302 122.9615 58.2852 31.5280 175.5289 15 T 4.1605 8.5380 114.2815 64.3136 68.6133 172.6360 16 S 4.7939 7.2656 114.5945 55.8460 63.2128 176.8429 17 G 4.0239 6.9650 108.7911 48.2923 0.0000 171.2938 18 Q 4.9985 8.0879 122.9954 56.8573 31.7495 174.5165 19 S 4.9492 7.8217 121.5389 56.7850 67.6344 172.5744 20 F 5.0727 7.7986 112.6217 58.1670 39.3145 174.4054 21 E 4.2482 8.4394 122.9226 56.6474 31.0175 176.0327 22 V 4.7975 8.2141 122.7902 59.7915 33.2212 175.6386 23 I 3.7551 8.0206 118.0617 61.4535 35.6598 177.5551 24 L 4.5808 8.5989 127.8822 55.6754 43.6760 177.2864 25 K 4.6418 7.8481 117.1416 52.2312 35.5035 176.4066 26 P 4.2351 0.0000 0.0000 61.4938 32.1067 174.6204 27 P 4.1853 0.0000 0.0000 65.4616 31.2687 177.0738 28 S 3.4873 8.1621 109.0359 60.2547 61.6952 173.1336 *46 S 4.5033 8.1544 116.0449 59.5616 64.1962 179.9482 47 L 3.9236 7.6689 121.2107 54.5708 42.1571 179.3781 *48 E 4.8091 8.5091 118.3033 55.1555 30.3783 176.5952 49 E 4.2584 8.2945 118.0020 58.5367 30.8653 180.4863 50 I 4.3803 6.9635 117.0199 59.7066 34.0736 180.9914 51 Q 4.7224 7.4517 118.4388 55.5701 29.7203 178.6645 52 K 4.0908 8.1941 124.6789 60.4465 32.0297 178.6318 53 K 4.2169 8.0381 121.8161 58.1430 31.4310 180.8717 54 L 4.7526 7.5222 118.8098 56.9073 43.5347 178.1225 55 E 3.7915 8.1035 118.0550 59.1803 29.5424 178.4496 56 A 3.9401 7.9978 120.7273 55.4997 18.2688 179.0958 57 A 3.8967 7.4192 118.2817 56.1379 18.4013 179.8599 58 E 4.0427 8.2678 118.0850 59.7733 29.4840 179.7942 59 E 4.1213 8.0651 117.9184 60.9743 29.9263 182.8188 60 R 4.4104 8.0774 117.5273 59.7563 30.4628 177.9069 61 R 3.9554 8.3314 118.0567 59.7438 29.5670 177.4662 62 K 4.1929 8.9390 118.0254 58.8760 32.4277 177.7716 63 Y 4.3965 8.2916 121.4893 58.8861 38.5128 176.0520 64 Q 3.9292 9.0220 124.9856 58.1428 30.0411 177.3376 65 E 4.3769 8.3611 118.4756 57.8351 31.8066 176.8664 66 A 4.1669 7.5795 118.0649 52.6094 17.2692 176.9371 67 E 4.4290 8.0606 118.3352 56.9211 30.6214 177.0425 68 L 4.3769 7.7043 115.2946 54.1999 42.2855 181.1361 69 L 4.3496 7.6467 120.1559 56.6341 42.7021 177.3262 70 K 4.6536 8.1105 119.5162 56.9811 32.4039 176.1516 *71 H 4.7907 7.6415 112.7212 54.0196 29.2666 178.5981 72 L 4.5978 7.5544 118.7544 56.3706 44.0863 177.6721 73 A 4.0550 7.9429 120.7062 54.1969 18.5591 177.6751 74 E 4.2761 8.2456 117.6870 58.7240 30.4160 177.6364 75 K 4.1580 8.2883 122.3622 58.3515 33.4112 181.2882 76 R 4.3079 8.3947 112.7127 57.6575 28.5797 180.3032 77 E 4.5030 9.3610 116.2794 57.8671 28.1214 174.9914 78 H 4.7784 12.0000 119.4797 56.9244 33.0756 175.0159 79 E 4.1328 7.9248 121.9907 60.1401 29.0559 180.0373 80 R 4.1183 7.7486 114.7223 59.0786 29.3808 178.2645 81 E 4.6959 8.0201 121.6061 59.4787 31.2764 178.7547 82 V 3.5008 8.8727 118.8864 64.7134 31.0053 180.4446 83 I 4.0756 7.7167 116.0953 60.7172 35.5401 178.5154 84 Q 4.5642 8.8303 123.2440 58.1786 29.2131 177.0085 85 K 4.6247 7.7405 123.4489 56.6336 32.0677 182.1735 86 A 4.7027 7.7530 125.6166 55.1722 20.6373 180.0964 87 I 3.8470 7.4353 121.2312 65.4736 34.9110 181.1464 88 E 4.4597 8.1650 120.2453 61.3934 29.6276 182.9182 89 E 4.6024 7.5559 115.5758 58.9292 29.7487 179.3601 90 N 5.1252 8.2134 117.8699 55.7255 41.5462 176.4070 91 N 4.3296 8.2459 117.6426 56.3232 37.8559 182.3349 92 N 5.0352 7.6046 115.0974 52.0429 36.8399 177.8276 93 F 4.9956 8.5401 121.8273 59.4640 42.1233 175.7240 94 I 3.4604 7.6691 122.2924 64.5891 36.4670 177.5249 95 K 3.8488 7.7677 119.7979 58.6837 33.4159 181.0803 96 M 4.5373 7.7475 117.9468 54.8782 29.9722 178.3488 97 A 4.0194 9.4014 118.2200 53.7749 18.4060 179.4697 98 K 4.4062 8.4966 117.7510 55.0494 32.7873 180.3785 99 E 4.5640 7.7669 120.3409 56.8545 31.5731 177.8790 100 K 3.8727 8.3603 123.3731 60.2826 31.3896 182.3359 101 L 3.9821 8.0233 119.1720 58.8887 41.6841 178.9836 102 A 4.1361 8.8361 123.0446 54.9404 18.3812 179.2365 103 Q 4.4614 7.8825 117.4564 57.3386 28.9154 178.3748 104 K 4.5478 7.5703 122.0600 58.7816 34.3494 177.1178 105 M 3.8821 8.5100 115.7582 56.6960 32.2809 176.0885 106 E 4.2881 8.0981 118.9221 59.1519 30.4637 179.7708 107 S 4.5687 7.1899 114.4059 58.0487 61.2331 173.4549 108 N 4.7946 9.0865 116.7138 53.9698 41.3381 175.5004 109 K 3.8670 8.3457 120.3543 60.9010 32.0269 178.4347 110 E 3.9416 8.2978 117.4560 61.6362 29.6898 180.4922 111 N 4.6548 8.1338 116.6888 55.5186 38.7008 177.5087 112 R 4.2173 8.2190 117.8184 58.8957 29.8982 178.4604 113 E 4.1225 8.0745 119.1056 57.3257 28.8608 179.0879 114 A 3.9015 7.5837 120.5583 55.5087 18.6286 179.3547 115 H 4.4212 7.7491 113.7473 59.0741 28.9747 177.3337 116 L 4.3941 8.4987 125.0973 58.2038 40.8378 183.0832 117 A 4.5014 7.7607 117.9456 52.8904 18.4441 178.2283 118 A 4.5820 7.5128 118.8108 52.7775 20.3326 178.0156 119 M 4.1894 8.8790 117.2719 56.5326 32.2992 177.1326 120 L 4.0486 7.9074 121.1701 57.8561 42.7867 177.5987 121 E 4.3911 7.9218 115.1872 58.4839 30.2409 180.5986 122 R 4.7576 7.7376 119.5702 59.0626 31.7131 179.8407 123 L 4.6009 7.2407 117.8507 53.5777 39.7127 179.2718 124 Q 5.3925 7.8145 117.0876 56.1700 32.3788 174.7737 125 E 4.3855 8.5603 116.6906 56.8969 29.7397 176.0011 126 K 4.3752 7.7919 119.2788 56.9891 33.3193 176.2827 127 D 4.8664 7.9419 117.3321 55.9173 42.8873 178.6244 128 K 3.9640 7.5142 124.0889 60.2664 31.6241 180.6638 129 H 4.5537 7.9412 117.1993 57.7613 29.9064 176.0439 130 A 4.5314 7.9527 122.3660 52.9998 19.9402 177.8631 131 E 4.5342 8.0344 118.4585 60.2699 31.4597 183.8466 132 E 4.5935 8.2509 116.4609 58.6727 29.9442 178.9001 133 V 4.6592 7.5263 116.6588 63.5100 32.6269 175.6705 134 R 4.3871 8.0073 122.2722 57.5205 32.1940 178.2834 135 K 4.4883 7.8518 120.6689 54.7105 30.3331 179.2841 136 N 4.8695 7.9261 121.5288 55.0558 41.1031 178.1005 137 K 4.0447 8.0842 119.7983 56.5333 31.6966 181.9944 138 E 4.1466 8.1285 116.9008 59.7119 29.6630 183.2332 139 L 3.7969 8.2822 120.4991 53.3897 40.9450 181.1234 140 K 3.3905 8.3678 124.6335 57.2575 31.2761 178.0498 141 E 4.2231 8.3334 118.1982 55.0341 29.4945 172.1302 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 4 A 8.26 4.24 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 5 D 8.08 4.76 0.00 2.80 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 6 M 8.61 4.06 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 7 E 8.06 3.66 0.00 2.12 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 0.00 2.14 1.85 0.00 8 V 7.79 5.14 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 1.13 0.00 0.00 0.93 0.00 0.00 9 I 7.20 3.81 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 1.23 0.53 0.91 0.00 0.00 10 E 8.81 4.74 0.00 1.96 1.90 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 2.28 2.38 0.00 11 L 9.01 4.60 0.00 1.61 1.61 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 12 N 10.18 4.72 0.00 2.71 3.12 0.00 0.00 6.55 7.51 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 13 K 8.10 4.55 0.00 1.69 1.71 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.48 7.81 14 C 8.53 4.92 0.00 2.95 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 15 T 8.54 4.16 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 16 S 7.27 4.79 0.00 3.58 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 17 G 6.96 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 18 Q 8.09 5.00 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 19 S 7.82 4.95 0.00 3.51 3.65 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 20 F 7.80 5.07 0.00 2.97 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 21 E 8.44 4.25 0.00 1.72 1.87 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 2.24 2.14 0.00 22 V 8.21 4.80 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 0.91 0.00 0.00 0.93 0.00 0.00 23 I 8.02 3.76 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 1.30 1.09 0.91 0.00 0.00 24 L 8.60 4.58 0.00 1.57 1.70 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.85 4.64 0.00 1.77 1.49 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.26 1.03 7.81 26 P 0.00 4.24 0.00 2.03 2.04 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 27 P 0.00 4.19 0.00 2.04 2.13 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 28 S 8.16 3.49 0.00 3.96 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 *46 S 8.15 4.50 0.00 3.70 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 47 L 7.67 3.92 0.00 1.66 1.50 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 *48 E 8.51 4.81 0.00 1.82 1.82 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 2.20 1.85 0.00 49 E 8.29 4.26 0.00 1.98 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 2.23 1.88 0.00 50 I 6.96 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 1.35 1.16 0.91 0.00 0.00 51 Q 7.45 4.72 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 52 K 8.19 4.09 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.44 7.81 53 K 8.04 4.22 0.00 1.89 1.71 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.07 7.81 54 L 7.52 4.75 0.00 1.68 1.84 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.10 3.79 0.00 2.05 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 2.40 2.37 0.00 56 A 8.00 3.94 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 57 A 7.42 3.90 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 58 E 8.27 4.04 0.00 2.20 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 0.00 2.41 2.44 0.00 59 E 8.07 4.12 0.00 2.07 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 2.26 2.23 0.00 60 R 8.08 4.41 0.00 2.04 2.02 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 61 R 8.33 3.96 0.00 1.90 1.93 0.00 3.11 0.00 0.00 3.18 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 62 K 8.94 4.19 0.00 1.80 1.86 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.69 7.81 63 Y 8.29 4.40 0.00 3.17 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 64 Q 9.02 3.93 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 65 E 8.36 4.38 0.00 1.95 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 2.16 2.34 0.00 66 A 7.58 4.17 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 67 E 8.06 4.43 0.00 1.40 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 2.06 2.09 0.00 68 L 7.70 4.38 0.00 1.70 1.50 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.65 4.35 0.00 1.84 1.64 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.11 4.65 0.00 1.67 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.36 7.81 *71 H 7.64 4.79 0.00 3.14 2.92 0.00 7.19 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.55 4.60 0.00 1.77 1.62 0.91 0.95 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 73 A 7.94 4.06 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 74 E 8.25 4.28 0.00 1.91 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 2.21 2.28 0.00 75 K 8.29 4.16 0.00 1.72 1.85 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.46 1.06 7.81 76 R 8.39 4.31 0.00 1.74 1.38 0.00 3.25 0.00 0.00 3.09 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 77 E 9.36 4.50 0.00 1.92 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 0.00 2.30 2.31 0.00 78 H 12.00 4.78 0.00 3.21 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.92 4.13 0.00 2.22 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 2.36 2.48 0.00 80 R 7.75 4.12 0.00 1.91 1.82 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.25 0.00 81 E 8.02 4.70 0.00 1.97 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 2.16 2.39 0.00 82 V 8.87 3.50 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 0.64 0.00 0.00 0.93 0.00 0.00 83 I 7.72 4.08 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 1.30 0.54 0.91 0.00 0.00 84 Q 8.83 4.56 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 85 K 7.74 4.62 0.00 1.81 1.74 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 1.30 7.81 86 A 7.75 4.70 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 87 I 7.44 3.85 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 1.38 0.70 0.91 0.00 0.00 88 E 8.17 4.46 0.00 1.92 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 2.22 2.18 0.00 89 E 7.56 4.60 0.00 2.05 1.87 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 2.25 2.18 0.00 90 N 8.21 5.13 0.00 2.84 2.81 0.00 0.00 7.22 7.27 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 91 N 8.25 4.33 0.00 2.68 2.83 0.00 0.00 7.03 7.87 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 92 N 7.60 5.04 0.00 2.78 2.71 0.00 0.00 6.88 7.31 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 93 F 8.54 5.00 0.00 2.80 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 94 I 7.67 3.46 1.94 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 1.12 0.43 0.87 0.00 0.00 95 K 7.77 3.85 0.00 1.77 1.67 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.03 7.81 96 M 7.75 4.54 0.00 2.21 1.55 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 2.72 2.63 0.00 97 A 9.40 4.02 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 98 K 8.50 4.41 0.00 1.71 1.67 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.20 7.81 99 E 7.77 4.56 0.00 1.84 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 2.23 2.18 0.00 100 K 8.36 3.87 0.00 1.80 1.85 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.11 7.81 101 L 8.02 3.98 0.00 1.66 1.64 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 102 A 8.84 4.14 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 Q 7.88 4.46 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.20 1.95 0.00 104 K 7.57 4.55 0.00 1.77 1.99 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.32 7.81 105 M 8.51 3.88 0.00 1.96 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 106 E 8.10 4.29 0.00 2.15 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 2.24 2.27 0.00 107 S 7.19 4.57 0.00 4.02 3.84 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 0.00 108 N 9.09 4.79 0.00 2.53 2.85 0.00 0.00 6.86 7.27 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 0.00 109 K 8.35 3.87 0.00 1.82 2.13 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.66 1.49 7.81 110 E 8.30 3.94 0.00 2.01 1.90 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 2.32 1.98 0.00 111 N 8.13 4.65 0.00 2.74 2.94 0.00 0.00 6.64 7.66 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 0.00 112 R 8.22 4.22 0.00 2.08 2.18 0.00 2.83 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 113 E 8.07 4.12 0.00 2.33 2.04 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 2.33 2.38 0.00 114 A 7.58 3.90 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 0.00 115 H 7.75 4.42 0.00 3.21 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 8.50 4.39 0.00 1.60 1.55 0.92 0.79 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 0.00 117 A 7.76 4.50 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 0.00 118 A 7.51 4.58 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 0.00 119 M 8.88 4.19 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 120 L 7.91 4.05 0.00 1.85 1.67 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.92 4.39 0.00 2.11 1.82 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 2.19 1.96 0.00 122 R 7.74 4.76 0.00 1.83 1.97 0.00 3.10 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 123 L 7.24 4.60 0.00 1.67 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.81 5.39 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.15 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.51 0.00 125 E 8.56 4.39 0.00 1.99 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 0.00 2.26 2.44 0.00 126 K 7.79 4.38 0.00 1.75 1.78 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.51 7.81 127 D 7.94 4.87 0.00 2.90 2.63 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 0.00 128 K 7.51 3.96 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.32 7.81 129 H 7.94 4.55 0.00 3.11 3.47 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.95 4.53 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 0.00 131 E 8.03 4.53 0.00 1.99 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 2.14 2.15 0.00 132 E 8.25 4.59 0.00 2.06 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 2.26 2.18 0.00 133 V 7.53 4.66 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 1.00 0.00 0.00 1.00 0.00 0.00 134 R 8.01 4.39 0.00 1.80 2.05 0.00 3.57 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 135 K 7.85 4.49 0.00 1.84 1.66 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.29 7.81 136 N 7.93 4.87 0.00 2.87 2.84 0.00 0.00 7.08 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 0.00 137 K 8.08 4.04 0.00 1.79 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.27 7.81 138 E 8.13 4.15 0.00 1.98 1.90 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 2.23 1.87 0.00 139 L 8.28 3.80 0.00 1.59 1.43 0.92 0.80 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 0.00 140 K 8.37 3.39 0.00 1.89 1.69 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 0.98 7.81 141 E 8.33 4.22 0.00 2.06 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 2.18 1.88 0.00 * Residues marked with a * may have inaccurate shift predictions.