NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3201 8.4045 118.7933 53.8614 32.7450 177.2710 2 P 4.4642 0.0000 0.0000 61.3424 31.8576 178.4949 3 S 4.9023 8.4536 128.6129 57.5471 62.2767 174.6625 4 R 4.6620 8.8057 122.3093 57.5072 31.5052 178.1587 *5 F 4.0903 8.3300 120.5389 63.8186 38.2268 183.3514 6 T 4.2120 8.2077 117.5567 66.7159 67.8671 178.3986 7 K 4.4292 7.6238 126.9777 59.6107 31.6971 181.1430 8 T 4.6488 9.4707 114.3358 65.1363 70.5446 180.2303 9 R 4.4118 7.3019 122.9627 54.4180 29.8591 180.1919 10 K 4.5845 8.3260 132.4409 56.0085 32.6564 177.9607 *11 H 4.1080 9.3843 112.9472 56.7418 29.2291 176.8301 12 R 3.6525 8.4113 120.2190 56.7914 28.2243 176.9013 13 G 4.1087 8.2527 108.1628 46.4937 0.0000 174.5400 *14 H 4.0949 7.8561 126.1646 52.7866 33.0495 178.0775 15 V 3.8388 7.2299 124.0393 60.2582 30.4685 174.2658 16 S 5.0732 7.4116 121.5276 55.9877 63.2993 175.6755 17 A 5.6069 7.5644 130.7291 51.7206 20.9858 179.7899 18 G 3.7356 9.3464 113.8960 45.7490 0.0000 172.7609 19 K 4.1495 7.5441 120.3103 54.5551 31.0110 178.2032 20 G 4.1059 8.0526 111.4051 46.2601 0.0000 173.5204 21 R 4.1047 7.5071 121.4798 55.6871 27.3576 181.9305 22 I 3.5810 7.2617 116.8910 59.6753 35.2546 173.7219 23 G 3.9713 8.4157 120.9231 46.4784 0.0000 175.1703 24 K 4.3815 7.4545 125.2704 54.8886 33.9023 181.9364 *25 H 4.9357 8.4058 123.3755 56.5068 26.7349 173.9948 26 R 3.9031 9.3226 117.8520 61.0635 29.8612 176.9475 27 K 4.1636 8.1124 117.4696 55.7707 32.7085 179.1086 *28 H 4.0935 8.9388 117.5999 59.7681 28.3466 171.2581 29 P 4.4923 0.0000 0.0000 65.1156 27.6830 182.4206 30 G 3.2135 6.0716 107.1276 44.6570 0.0000 172.9333 31 G 4.0426 7.5610 111.6193 43.2886 0.0000 174.9066 32 R 4.0744 8.1797 119.5001 56.3977 27.7649 178.0615 33 G 3.9586 8.8331 112.1643 46.5430 0.0000 173.0817 34 M 3.6833 6.8976 118.8236 54.1642 30.3637 177.0085 35 A 4.3765 7.9080 128.9339 51.9953 19.7470 181.3463 36 G 3.8812 8.3824 105.3676 47.2526 0.0000 176.4413 37 G 4.0693 7.5236 118.7468 46.4854 0.0000 173.7079 38 E 4.2526 9.3289 121.1737 56.8249 30.5300 176.8760 *39 H 4.6286 8.3877 117.4218 56.5056 30.6558 180.6369 *40 H 4.2635 9.9731 117.3554 56.9046 27.3023 180.5383 *41 H 4.3591 9.5358 124.2551 56.1917 27.4484 176.7327 42 R 4.3201 7.6121 123.1175 57.0437 32.4365 174.5819 43 I 3.4083 7.3526 116.8311 59.6436 35.1442 176.6001 44 N 4.3584 8.1025 118.0221 50.9247 38.1011 172.5842 45 M 3.0269 9.5844 112.5249 57.5720 27.9809 175.1342 46 D 5.1094 8.7014 123.8735 54.6644 41.1778 175.2704 47 K 4.7197 7.6199 127.4521 52.5053 33.8651 177.2993 *48 Y 3.3844 9.9514 123.1817 59.4107 34.7898 170.1006 *49 H 4.0184 9.4043 115.0948 57.5453 25.5375 175.7789 50 P 4.4923 0.0000 0.0000 62.9020 27.5096 177.6472 51 G 4.2620 7.2696 111.8785 46.8174 0.0000 174.8863 *52 Y 4.6106 7.3037 121.6748 53.1385 37.8106 177.7849 *53 F 4.5358 7.5648 117.4244 54.8749 40.9807 173.2364 54 G 3.0555 8.3045 110.9728 45.7863 0.0000 174.3476 55 K 4.2274 8.2080 131.7790 53.0478 32.7978 174.9695 56 V 4.7903 8.0013 122.0735 60.1715 35.5342 167.5041 57 G 4.2007 8.5146 122.3703 44.7580 0.0000 173.9600 58 M 4.2369 8.6353 114.3636 54.7576 35.6649 178.3556 59 R 4.8893 8.2477 123.0258 57.7929 33.6857 174.7302 *60 Y 4.5178 7.9047 123.8206 59.4439 40.6573 171.6468 *61 F 5.7085 9.2984 130.0375 58.9470 41.2922 176.0506 *62 H 4.5905 7.9513 122.3954 57.4400 28.5340 177.2536 63 K 4.2253 7.9482 121.7921 57.7808 36.3419 172.3808 64 Q 4.6110 8.8491 121.6682 55.1870 29.6144 173.0322 65 Q 3.9250 8.5560 124.3401 54.0109 28.1835 172.7016 66 A 4.3138 7.8642 123.5661 52.5118 22.0410 177.1074 *67 H 4.1751 8.4705 123.4920 56.3248 27.3165 171.4187 *68 F 5.2266 8.8643 129.1139 54.4242 40.4406 169.7930 *69 W 3.4561 9.1055 120.7368 56.9832 25.6918 172.0405 70 K 4.7395 7.2172 130.3779 53.9552 29.1479 176.5154 71 P 4.7388 0.0000 0.0000 62.6919 31.2252 175.9343 72 V 4.2035 8.2917 114.0840 62.7071 32.2448 178.0226 73 L 4.5316 8.0433 117.9685 55.7146 40.5011 182.4969 74 N 4.8707 7.8412 120.5128 54.4671 41.4265 181.0114 75 L 4.4243 8.3016 119.5303 56.3976 41.3413 180.4856 76 D 4.5554 8.0797 121.9614 57.3431 39.9754 183.3568 77 K 3.6416 8.1276 123.2401 56.9606 31.9747 182.9802 78 L 3.4448 7.9346 116.5384 54.6577 41.0448 178.3412 *79 W 4.7114 7.7930 128.9921 57.0443 31.9877 177.6934 80 T 4.6201 7.2206 111.4754 62.2455 70.5150 181.8391 81 L 4.3832 7.8262 118.5817 56.2279 39.9737 184.5475 82 I 3.8091 8.0919 120.9707 64.3885 35.3209 179.9861 83 P 4.4953 0.0000 0.0000 64.0698 31.3163 178.9733 84 E 4.8239 7.4316 115.5461 54.1825 35.2197 176.3419 85 D 4.8793 8.9245 129.6059 54.1671 40.7550 177.1713 86 K 4.3914 9.2336 120.2236 55.4663 30.8889 178.7189 87 R 4.4471 7.7824 124.0749 55.9380 32.9813 179.9981 88 D 4.6703 7.1455 117.7732 56.6778 37.4922 175.5898 89 Q 4.3139 8.7063 121.0718 54.9161 30.2763 178.6463 *90 Y 5.3636 9.1363 134.4361 57.9679 38.7264 176.5875 91 L 4.5274 7.8928 126.3064 54.9521 38.8623 180.0580 92 K 5.1509 7.6613 122.6429 53.8078 33.8028 181.1996 93 S 3.6281 8.5302 115.0817 58.6489 61.4141 174.3286 94 A 4.4676 8.1783 116.9431 55.6709 18.0655 180.0617 95 S 4.0625 10.5676 119.0802 60.3213 59.8297 169.6023 96 K 4.5158 8.4241 118.2174 55.1077 33.9750 179.4930 97 E 4.6159 7.7763 120.5351 53.2841 30.2728 178.0377 98 T 3.5556 7.9586 121.2014 60.5470 68.5038 172.0061 99 A 4.5780 8.2324 129.1547 51.8771 19.2982 176.3552 100 P 4.6525 0.0000 0.0000 63.0007 32.8601 173.5666 101 V 4.9294 8.2936 126.8591 58.6548 31.2383 171.6508 102 I 3.9230 8.1132 127.9365 60.4222 34.7531 175.7850 103 D 4.5007 7.8507 127.7157 54.1701 44.6991 176.5550 104 T 4.5509 8.1005 114.9432 62.6721 70.5441 172.5019 105 L 4.8774 8.6839 118.5230 55.1330 43.2039 175.3179 106 A 4.6243 7.9481 114.8698 54.1397 22.6156 177.5494 107 A 4.3665 8.0908 114.6901 53.3721 20.5721 175.2566 108 G 4.4418 8.9968 106.1032 47.9937 0.0000 174.5170 *109 Y 4.6371 8.2732 112.1529 56.0766 40.6313 173.4486 110 G 3.9120 7.0553 107.1395 46.7571 0.0000 173.5141 111 K 4.6342 7.8511 118.2429 54.3884 32.4184 172.7015 112 I 4.3811 6.6492 121.7620 61.7934 33.8668 175.7856 113 L 4.3663 7.6725 122.8426 54.5701 44.1326 176.9816 114 G 3.4008 7.1823 106.9936 45.2690 0.0000 175.8378 115 K 4.6174 8.5997 128.7180 54.9390 31.4527 168.2744 116 G 4.1798 8.4040 109.7262 45.8097 0.0000 175.1179 117 R 4.6537 9.1406 132.5710 55.9650 32.5148 175.4970 118 I 3.1016 7.9650 118.3352 61.2142 34.5096 177.2523 119 P 5.8500 0.0000 0.0000 65.5807 31.5060 171.5379 120 N 4.5331 8.1440 118.4409 53.3107 38.2692 179.7326 121 V 4.7867 8.6003 119.1015 62.3432 34.8601 174.1838 122 P 4.9961 0.0000 0.0000 61.1475 33.7231 174.4162 123 V 4.3219 8.1785 123.7327 60.7092 33.6227 176.1306 124 I 4.5039 8.4891 125.2798 59.3273 38.3994 175.6210 125 V 4.5728 8.4527 130.1179 60.0620 33.2765 172.8404 126 K 4.6385 8.2249 126.5621 56.8929 39.0060 172.3038 127 A 4.3625 8.6776 125.4836 55.3250 21.6782 178.5292 128 R 4.2819 7.6684 117.6466 57.5357 30.0323 183.4674 *129 F 3.7301 7.9661 122.0860 58.7423 37.0990 177.0560 130 V 4.2007 8.2470 119.3315 61.7868 36.1459 174.5107 131 S 4.4528 9.1411 115.1858 60.3900 61.3782 172.5459 132 K 3.8279 9.3967 118.3917 56.6993 30.7969 181.1234 133 L 4.3014 10.1038 117.6677 59.4973 40.8289 183.5706 134 A 4.3108 8.1626 122.7350 55.8330 18.4081 179.6928 135 E 3.7845 8.2126 115.9162 62.1976 29.8746 181.8210 136 E 4.3670 8.1030 122.5902 60.4771 30.3942 181.2796 137 K 4.6464 9.2475 124.8310 60.5762 32.9201 184.2327 138 I 3.9683 7.8730 123.6302 65.6707 35.1426 180.3427 139 R 4.0924 8.3086 124.1483 59.8451 29.3924 180.3104 140 A 4.4752 7.6339 117.7260 54.7085 19.1883 177.5640 141 A 4.3955 8.7677 121.0210 51.5484 19.6117 175.4871 142 G 4.0458 8.1459 114.5226 46.1855 0.0000 170.7914 143 G 4.3649 7.5180 106.8510 44.3760 0.0000 174.6123 144 V 4.5640 8.1748 124.1093 61.1917 35.1219 173.8140 145 V 5.2806 8.4530 127.9907 59.7071 33.4119 172.5672 146 E 4.4638 8.5688 120.3420 57.6776 34.0510 175.8421 147 L 4.9532 10.4475 123.4984 52.9336 41.0541 177.0201 148 I 3.4739 9.7433 127.6422 60.2647 37.2124 175.8502 149 A 4.2503 7.4529 129.7574 51.3757 18.5090 176.5513 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 8.40 4.32 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 P 0.00 4.46 0.00 2.17 1.91 0.00 3.72 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 1.94 1.65 0.00 3 S 8.45 4.90 0.00 3.62 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 4 R 8.81 4.66 0.00 1.68 1.89 0.00 3.22 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.14 0.00 *5 F 8.33 4.09 0.00 2.28 2.32 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 6 T 8.21 4.21 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 7 K 7.62 4.43 0.00 1.87 1.76 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.33 7.81 8 T 9.47 4.65 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 9 R 7.30 4.41 0.00 1.84 1.83 0.00 3.36 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.00 10 K 8.33 4.58 0.00 1.82 1.48 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.12 0.74 7.81 *11 H 9.38 4.11 0.00 2.92 2.91 0.00 7.32 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 12 R 8.41 3.65 0.00 1.93 1.77 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 13 G 8.25 4.11 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 0.00 0.00 0.00 *14 H 7.86 4.09 0.00 2.89 2.81 0.00 7.23 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 15 V 7.23 3.84 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 0.63 0.00 0.00 0.93 0.00 0.00 16 S 7.41 5.07 0.00 3.60 3.69 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 17 A 7.56 5.61 1.02 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 18 G 9.35 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 19 K 7.54 4.15 0.00 1.96 1.65 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.24 0.99 7.81 20 G 8.05 4.11 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 0.00 0.00 0.00 21 R 7.51 4.10 0.00 1.87 1.79 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 22 I 7.26 3.58 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 0.95 0.91 0.00 0.00 23 G 8.42 3.97 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 0.00 0.00 0.00 24 K 7.45 4.38 0.00 1.79 1.67 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *25 H 8.41 4.94 0.00 2.92 2.62 0.00 7.19 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.32 3.90 0.00 1.82 1.90 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 27 K 8.11 4.16 0.00 1.85 1.89 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.00 7.81 *28 H 8.94 4.09 0.00 2.92 3.05 0.00 7.19 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 29 P 0.00 4.49 0.00 2.08 1.92 0.00 3.73 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 1.94 1.60 0.00 30 G 6.07 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.56 4.04 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 0.00 0.00 0.00 32 R 8.18 4.07 0.00 1.85 1.78 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 33 G 8.83 3.96 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 0.00 0.00 0.00 34 M 6.90 3.68 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.17 0.00 35 A 7.91 4.38 1.06 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 0.00 0.00 36 G 8.38 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.52 4.07 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 0.00 0.00 0.00 38 E 9.33 4.25 0.00 2.00 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 2.23 1.87 0.00 *39 H 8.39 4.63 0.00 2.92 2.67 0.00 7.18 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *40 H 9.97 4.26 0.00 2.92 2.63 0.00 7.17 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *41 H 9.54 4.36 0.00 2.92 2.94 0.00 7.11 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.61 4.32 0.00 1.77 1.74 0.00 3.25 0.00 0.00 3.26 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 43 I 7.35 3.41 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 1.27 1.05 0.91 0.00 0.00 44 N 8.10 4.36 0.00 2.74 1.87 0.00 0.00 6.84 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 45 M 9.58 3.03 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.09 0.00 46 D 8.70 5.11 0.00 2.86 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 47 K 7.62 4.72 0.00 1.71 0.85 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.96 7.81 *48 Y 9.95 3.38 0.00 2.49 1.78 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 *49 H 9.40 4.02 0.00 3.01 3.18 0.00 7.27 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.49 0.00 2.15 2.00 0.00 3.75 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 1.87 1.57 0.00 51 G 7.27 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 0.00 0.00 0.00 0.00 *52 Y 7.30 4.61 0.00 2.29 2.07 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 *53 F 7.56 4.54 0.00 2.23 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 0.00 0.00 0.00 0.00 54 G 8.30 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 0.00 0.00 0.00 55 K 8.21 4.23 0.00 1.79 1.61 0.00 1.91 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 0.99 7.81 56 V 8.00 4.79 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 0.81 0.00 0.00 0.93 0.00 0.00 57 G 8.51 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 58 M 8.64 4.24 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.93 0.00 59 R 8.25 4.89 0.00 1.81 1.78 0.00 3.30 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 *60 Y 7.90 4.52 0.00 2.29 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 *61 F 9.30 5.71 0.00 2.37 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 0.00 0.00 0.00 0.00 *62 H 7.95 4.59 0.00 2.92 2.96 0.00 7.21 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 63 K 7.95 4.23 0.00 1.70 1.38 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.16 0.90 7.81 64 Q 8.85 4.61 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.09 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 65 Q 8.56 3.92 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 66 A 7.86 4.31 1.22 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 *67 H 8.47 4.18 0.00 2.87 3.03 0.00 7.16 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *68 F 8.86 5.23 0.00 2.25 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 0.00 0.00 0.00 0.00 *69 W 9.11 3.46 0.00 2.59 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 0.00 0.00 0.00 0.00 70 K 7.22 4.74 0.00 1.70 1.73 0.00 1.78 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 71 P 0.00 4.74 0.00 2.08 1.91 0.00 3.70 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 1.95 1.61 0.00 72 V 8.29 4.20 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 0.70 0.00 0.00 0.93 0.00 0.00 73 L 8.04 4.53 0.00 1.66 1.59 0.92 0.97 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 74 N 7.84 4.87 0.00 2.62 2.76 0.00 0.00 7.15 7.29 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 75 L 8.30 4.42 0.00 1.66 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.08 4.56 0.00 2.57 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 77 K 8.13 3.64 0.00 1.67 1.81 0.00 1.87 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.46 1.04 7.81 78 L 7.93 3.44 0.00 1.73 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 *79 W 7.79 4.71 0.00 2.47 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 0.00 0.00 0.00 0.00 80 T 7.22 4.62 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 81 L 7.83 4.38 0.00 1.64 1.57 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.09 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 1.16 1.10 0.91 0.00 0.00 83 P 0.00 4.50 0.00 2.08 1.94 0.00 3.71 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 1.94 1.58 0.00 84 E 7.43 4.82 0.00 1.92 1.69 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 2.13 1.87 0.00 85 D 8.92 4.88 0.00 2.75 2.16 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 86 K 9.23 4.39 0.00 1.77 1.67 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.36 1.00 7.81 87 R 7.78 4.45 0.00 1.71 1.81 0.00 3.22 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 88 D 7.15 4.67 0.00 2.75 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 89 Q 8.71 4.31 0.00 2.05 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 *90 Y 9.14 5.36 0.00 2.28 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 0.00 0.00 0.00 91 L 7.89 4.53 0.00 1.71 1.92 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.66 5.15 0.00 1.76 1.61 0.00 1.82 0.00 0.00 2.40 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.30 0.95 7.81 93 S 8.53 3.63 0.00 3.74 3.76 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 0.00 0.00 0.00 94 A 8.18 4.47 1.19 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 95 S 10.57 4.06 0.00 3.83 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 96 K 8.42 4.52 0.00 1.70 1.62 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 0.92 7.81 97 E 7.78 4.62 0.00 2.13 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 2.13 2.07 0.00 98 T 7.96 3.56 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 99 A 8.23 4.58 1.24 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 0.00 0.00 100 P 0.00 4.65 0.00 1.77 1.93 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.58 0.00 101 V 8.29 4.93 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 0.88 0.00 0.00 0.93 0.00 0.00 102 I 8.11 3.92 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 1.09 1.10 0.91 0.00 0.00 103 D 7.85 4.50 0.00 2.64 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 0.00 0.00 0.00 0.00 104 T 8.10 4.55 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 0.00 105 L 8.68 4.88 0.00 1.60 1.52 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.95 4.62 1.23 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 0.00 0.00 107 A 8.09 4.37 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 0.00 108 G 9.00 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 *109 Y 8.27 4.64 0.00 2.28 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 0.00 0.00 0.00 0.00 110 G 7.06 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 0.00 0.00 0.00 111 K 7.85 4.63 0.00 1.72 1.56 0.00 1.74 0.00 0.00 0.61 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 0.95 7.81 112 I 6.65 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 1.27 0.65 0.91 0.00 0.00 113 L 7.67 4.37 0.00 1.61 1.49 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.18 3.40 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 0.00 115 K 8.60 4.62 0.00 1.69 1.46 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 0.99 7.81 116 G 8.40 4.18 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 0.00 0.00 0.00 117 R 9.14 4.65 0.00 1.83 1.81 0.00 3.41 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.98 0.00 118 I 7.97 3.10 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 1.27 1.01 0.91 0.00 0.00 119 P 0.00 5.85 0.00 2.16 2.01 0.00 3.69 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 1.70 1.31 0.00 120 N 8.14 4.53 0.00 2.48 2.47 0.00 0.00 6.34 7.67 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 0.00 121 V 8.60 4.79 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 0.92 0.00 0.00 0.93 0.00 0.00 122 P 0.00 5.00 0.00 1.74 1.92 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.57 0.00 123 V 8.18 4.32 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 0.82 0.00 0.00 0.93 0.00 0.00 124 I 8.49 4.50 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 1.09 0.68 0.91 0.00 0.00 125 V 8.45 4.57 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 0.63 0.00 0.00 0.93 0.00 0.00 126 K 8.22 4.64 0.00 1.38 1.61 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.13 1.10 7.81 127 A 8.68 4.36 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 0.00 128 R 7.67 4.28 0.00 1.75 1.91 0.00 3.40 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 *129 F 7.97 3.73 0.00 2.39 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 0.00 0.00 0.00 130 V 8.25 4.20 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 0.59 0.00 0.00 0.93 0.00 0.00 131 S 9.14 4.45 0.00 3.80 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 0.00 132 K 9.40 3.83 0.00 1.80 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.23 7.81 133 L 10.10 4.30 0.00 1.74 1.60 0.92 0.80 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 0.00 134 A 8.16 4.31 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 0.00 135 E 8.21 3.78 0.00 1.99 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 2.00 0.00 136 E 8.10 4.37 0.00 2.00 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 2.27 2.22 0.00 137 K 9.25 4.65 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.29 7.81 138 I 7.87 3.97 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 1.50 0.53 0.91 0.00 0.00 139 R 8.31 4.09 0.00 1.94 1.90 0.00 3.22 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 140 A 7.63 4.48 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 0.00 141 A 8.77 4.40 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 0.00 142 G 8.15 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 0.00 143 G 7.52 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 0.00 0.00 0.00 0.00 144 V 8.17 4.56 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 0.65 0.00 0.00 0.93 0.00 0.00 145 V 8.45 5.28 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 0.99 0.00 0.00 0.93 0.00 0.00 146 E 8.57 4.46 0.00 1.59 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 2.21 1.88 0.00 147 L 10.45 4.95 0.00 1.64 1.33 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 148 I 9.74 3.47 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 0.90 0.91 0.00 0.00 149 A 7.45 4.25 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 * Residues marked with a * may have inaccurate shift predictions.