NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4586 8.3033 118.6739 56.4108 32.1326 174.0760 4 K 4.9866 8.6262 119.8087 54.3195 34.8765 174.1269 5 Y 4.5861 9.8463 126.1875 55.7820 41.5183 174.1515 6 I 4.0585 7.9343 128.2012 60.7931 38.2306 175.8024 7 V 4.1722 7.9194 127.0357 61.1740 33.4216 175.4099 8 T 4.2243 8.2078 118.1293 60.1618 70.6567 175.6808 9 W 4.3724 8.7288 122.0826 60.2449 29.0731 178.3297 10 D 4.4612 8.3238 118.0864 57.9364 40.3380 178.8267 11 M 4.0331 7.7615 117.9497 58.1526 31.9119 178.5711 12 L 4.0481 8.1109 120.6411 58.2428 42.2823 178.8898 13 Q 4.0557 8.3244 119.5930 59.0662 28.8336 178.1524 14 I 3.7233 7.6104 120.8548 64.7126 37.1292 178.1618 15 H 4.2744 8.1613 116.8814 58.6377 28.4491 177.7219 16 A 3.9951 8.1931 122.7384 55.3179 18.2082 179.9763 17 R 3.8913 8.1706 116.5505 59.0354 29.8433 179.2499 18 K 3.9613 7.5531 119.0571 59.3135 32.4495 178.4053 19 L 4.0281 8.0224 120.5508 57.9458 42.0715 178.7137 20 A 4.0134 8.2123 120.9461 55.3492 17.7611 179.8248 21 S 4.1561 7.9839 113.1781 61.5593 62.6668 176.5890 22 R 4.2309 7.6315 118.6051 57.5357 30.0567 177.5895 23 L 4.7278 7.3830 117.4678 54.0377 42.3646 176.4466 24 M 4.4223 7.1533 118.8594 54.1388 32.5563 174.5909 25 P 4.5637 0.0000 0.0000 62.2888 32.6433 177.6187 26 S 4.5312 8.5617 114.3050 61.0520 63.3465 176.0228 27 E 4.0730 8.0630 119.8364 58.4739 29.2557 177.4887 28 Q 3.8993 7.2218 114.3831 56.4337 29.1418 175.7180 29 W 5.0805 7.6031 121.9199 55.7477 30.9426 176.6967 30 K 4.0451 9.1538 127.3362 57.4691 32.3332 174.3245 31 G 3.8116 6.4153 104.1700 46.1516 0.0000 172.0160 32 I 5.1521 8.4304 119.8807 59.4663 41.0740 175.0968 33 I 4.8850 9.2761 127.7159 59.5925 39.3597 174.4225 34 A 4.8263 9.1315 130.2838 50.6874 20.9763 176.2148 35 V 4.2568 8.6214 123.1757 61.7694 32.4433 175.2923 36 S 4.4624 8.5438 124.1834 58.6382 62.5108 174.1538 37 R 4.3707 8.7297 124.3538 56.4499 31.6749 178.4074 38 G 3.7556 7.7811 106.0707 47.7531 0.0000 174.5681 39 G 3.8457 8.6849 107.2998 45.9821 0.0000 175.4634 40 L 3.8707 7.7794 121.2461 57.8430 41.6250 179.5348 41 V 3.6186 7.3215 117.2820 65.7399 31.6849 176.1789 42 P 4.4771 0.0000 0.0000 65.4647 31.1567 178.8843 43 G 3.5657 8.5229 104.9274 47.6442 0.0000 175.7106 44 A 4.0368 8.0601 123.1679 54.8669 18.3777 179.8042 45 L 3.9957 8.0573 117.6076 57.8874 41.7169 179.7073 46 L 3.9690 7.9958 118.8000 57.7370 41.5492 179.3406 47 A 4.0560 8.1427 120.7589 55.0350 18.3869 179.8082 48 R 3.8042 7.7886 116.6988 59.6950 30.0434 178.6346 49 E 4.0754 8.0515 117.0042 59.2507 29.6001 178.8042 50 L 4.3666 8.5223 117.1691 54.5954 42.0100 177.3830 51 G 3.8253 7.4051 105.4663 46.4171 0.0000 173.3308 52 I 4.1996 7.6414 120.9526 60.1050 37.7060 176.3775 53 R 4.2586 8.5143 123.7323 56.8634 31.0000 176.1857 54 H 4.5872 7.9643 118.7848 54.8574 29.8783 172.6881 55 V 4.8287 8.1296 123.8807 60.8756 33.7025 173.6155 56 D 5.2214 9.5180 127.3009 52.5755 44.9931 173.9787 57 T 5.3294 8.2929 109.6812 59.7995 72.7009 173.8103 58 V 4.5083 8.5609 121.0956 60.4518 34.5257 173.9871 59 C 4.9675 9.0488 124.3010 58.0479 29.9864 173.0594 60 I 5.0284 8.3734 124.0420 59.5293 40.1387 174.7735 61 S 4.8765 9.6513 123.6472 57.2212 65.9089 173.0000 62 S 5.2578 8.7054 123.0671 57.9372 64.5482 174.3424 *63 Y 4.3750 8.6227 128.5581 56.7361 39.8891 172.7113 *67 N 4.6139 9.0692 109.8125 53.7330 40.4102 171.7051 68 Q 4.3067 7.8936 120.4518 55.8065 30.5255 176.7006 69 R 4.4544 8.4253 120.1496 55.2851 30.8138 176.0186 70 E 4.7076 8.3832 122.1840 54.3665 31.7576 172.6704 71 L 4.7559 8.3756 122.8939 53.9231 43.4121 176.6608 72 K 4.3628 8.9311 124.8469 55.7719 35.4286 176.4749 73 V 4.2411 8.4570 128.0976 60.7916 31.1018 172.4707 74 L 4.2175 8.5853 128.1125 56.4164 42.1748 178.1490 75 K 4.6942 7.8565 118.4623 54.7147 35.8659 174.8438 76 R 4.9918 8.5047 125.3539 54.4518 33.3671 174.0471 77 A 4.4973 8.6231 127.1530 50.9959 19.6448 177.4798 78 E 3.9290 8.6669 121.5572 57.5168 30.2231 176.9391 79 G 3.8788 8.8251 108.0562 45.2752 0.0000 172.8485 80 D 4.8238 8.7404 115.3386 52.8900 39.9129 177.9209 81 G 3.8559 8.2232 107.8291 45.7043 0.0000 172.8069 82 E 4.2964 8.0774 121.4591 57.4186 29.7870 177.0671 83 G 4.0692 9.4218 113.9460 45.6075 0.0000 171.9457 84 F 5.3081 8.4974 117.9189 55.5571 42.6309 174.3424 85 I 4.5944 8.2136 121.7673 59.5920 39.4888 174.7643 86 V 4.6731 8.3762 127.0010 61.2478 33.3996 174.1072 87 I 5.4860 8.6906 128.1334 58.3884 41.0082 173.5999 88 D 5.2678 8.4525 127.0550 52.3013 44.5125 175.6190 89 D 4.7205 8.9441 122.5149 56.4730 40.6426 175.5620 90 L 5.1036 7.4540 115.9764 55.7923 43.5998 174.9334 91 V 4.0487 8.0520 111.5039 60.1517 34.6640 174.8770 92 D 4.6185 9.1185 126.7769 54.7259 40.9021 177.6654 93 T 4.2446 8.0865 110.5341 61.1507 71.0863 175.6180 94 G 3.9350 8.3417 109.9741 46.0377 0.0000 175.6124 95 G 3.5631 8.2599 107.3391 47.9246 0.0000 176.4806 96 T 3.8516 7.9177 112.3908 63.9098 68.9087 176.2302 97 A 3.8352 7.9343 123.4377 54.9466 18.4477 179.5894 98 V 3.5018 7.7512 116.2960 65.9768 31.7069 178.1915 99 A 3.9429 7.5323 120.1796 55.1735 18.1389 179.7476 100 I 3.6169 7.6114 118.3614 64.4793 36.7485 178.7926 101 R 3.8346 7.7747 118.9550 59.1685 29.6162 178.7714 102 E 3.9183 7.6663 117.6836 59.5819 29.7440 178.5343 103 M 3.9913 7.4815 117.0807 56.8674 33.3157 176.3899 104 Y 4.8508 7.7541 116.8297 55.2736 38.3087 174.1871 105 P 4.4288 0.0000 0.0000 64.5887 32.0391 177.9093 106 K 4.2902 7.9320 114.4839 56.9457 32.4268 176.8639 107 A 4.6782 7.6228 121.3729 52.1818 19.8717 177.5836 108 H 4.9191 9.0113 120.6366 54.6912 30.0131 172.6977 109 F 5.1866 9.0844 127.2063 58.0042 40.5326 174.2237 110 V 4.8382 8.8380 119.1582 59.9680 36.4306 174.3884 111 T 5.5448 8.0577 111.1194 60.2234 72.4552 174.9728 112 I 3.6283 8.4709 121.9595 63.9451 38.1382 176.1763 113 F 5.4567 8.0524 119.6982 56.0617 42.3351 174.7066 114 A 4.8014 8.5329 121.5578 51.0448 22.6113 176.0884 115 K 5.1669 8.7555 122.5008 53.8217 34.0368 176.2001 116 P 4.0752 0.0000 0.0000 65.9667 31.4933 177.8932 117 A 4.0585 8.6110 119.8296 54.9210 18.3285 178.4999 118 G 3.9455 7.7957 102.2650 45.3545 0.0000 175.4631 119 R 3.6194 7.7111 121.6153 58.7560 30.1302 176.8920 120 P 4.4787 0.0000 0.0000 64.8287 31.5206 177.2431 121 L 4.2870 7.6305 116.8616 55.9863 41.9339 177.1823 122 V 4.4912 6.9853 110.6535 59.6020 33.3632 175.8614 123 D 4.6124 8.7533 123.4920 57.4156 41.5567 176.2848 124 D 4.7175 7.7490 114.7896 53.7431 44.5034 173.9586 125 Y 5.7865 8.0317 120.9897 56.6004 40.9788 174.1264 126 V 3.9322 8.4839 117.6252 64.0568 33.1815 175.6198 127 V 4.4957 7.8941 120.3832 61.0353 34.1363 173.7457 128 D 5.2879 8.7878 127.1837 53.6688 42.1462 175.8430 129 I 4.4746 8.3043 123.3042 58.4893 41.2963 173.7698 130 P 4.5042 0.0000 0.0000 62.3541 31.9893 177.2381 131 Q 3.9325 8.6812 122.4973 59.2186 28.9947 177.0632 132 D 4.6518 7.9750 113.8796 53.9348 40.0391 175.5497 133 T 4.7530 7.4903 117.5341 62.2039 69.9649 174.0821 134 W 4.4115 9.0369 135.0000 56.7421 32.1622 174.9479 135 I 4.3638 7.3784 128.4622 60.2245 37.6566 175.0719 136 E 4.2545 8.9055 130.3966 54.8460 30.5171 175.8562 137 Q 3.8052 7.9690 126.3125 54.2477 29.9651 175.5990 138 P 3.5853 0.0000 0.0000 65.0335 31.1580 178.8415 139 W 4.5245 6.5728 113.3043 58.4895 28.2114 176.2040 140 D 4.7270 7.3430 117.2238 54.5745 40.8572 175.3300 141 M 4.7370 7.0467 118.3852 53.6997 34.9762 174.4060 142 G 3.9777 7.9131 106.1568 45.3628 0.0000 173.7075 143 V 3.9857 8.3571 120.1887 61.6670 30.7051 175.2997 144 V 4.6165 7.8058 119.2086 58.6475 35.4483 175.5048 145 F 4.1521 8.7972 123.4172 58.3409 39.6005 174.3565 146 V 4.0567 7.1423 126.8024 59.8882 33.2700 173.3063 147 P 4.1740 0.0000 0.0000 62.0336 31.9918 174.6336 148 P 4.3922 0.0000 0.0000 62.3888 31.8634 177.8690 149 I 3.5797 8.0426 121.7395 62.7374 37.3961 176.2945 150 S 4.3461 7.4774 119.0427 58.4107 63.7445 168.2739 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 E 8.30 4.46 0.00 1.68 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 2.21 1.92 0.00 4 K 8.63 4.99 0.00 1.73 1.79 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.58 1.57 7.81 5 Y 9.85 4.59 0.00 2.87 2.64 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 6 I 7.93 4.06 1.65 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 1.12 0.54 0.74 0.00 0.00 7 V 7.92 4.17 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 0.90 0.00 0.00 0.67 0.00 0.00 8 T 8.21 4.22 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 1.14 0.00 0.00 9 W 8.73 4.37 0.00 3.42 3.26 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 10 D 8.32 4.46 0.00 2.73 2.76 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 11 M 7.76 4.03 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 12 L 8.11 4.05 0.00 1.81 1.97 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.32 4.06 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 14 I 7.61 3.72 1.91 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 1.51 1.33 0.89 0.00 0.00 15 H 8.16 4.27 0.00 3.22 3.14 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 16 A 8.19 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 17 R 8.17 3.89 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 18 K 7.55 3.96 0.00 1.69 1.95 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 19 L 8.02 4.03 0.00 1.74 1.75 0.85 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.21 4.01 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 21 S 7.98 4.16 0.00 4.01 3.93 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 22 R 7.63 4.23 0.00 1.91 2.00 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 23 L 7.38 4.73 0.00 1.86 1.87 0.74 0.79 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 24 M 7.15 4.42 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 25 P 0.00 4.56 0.00 2.44 2.13 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 26 S 8.56 4.53 0.00 4.17 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 0.00 27 E 8.06 4.07 0.00 1.88 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 2.28 2.34 0.00 28 Q 7.22 3.90 0.00 1.57 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 29 W 7.60 5.08 0.00 3.33 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 30 K 9.15 4.05 0.00 1.49 1.71 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.26 7.81 31 G 6.42 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 32 I 8.43 5.15 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.62 0.88 0.00 0.00 33 I 9.28 4.89 1.63 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.68 0.64 0.00 0.00 34 A 9.13 4.83 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 35 V 8.62 4.26 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 0.77 0.00 0.00 1.07 0.00 0.00 36 S 8.54 4.46 0.00 3.94 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 37 R 8.73 4.37 0.00 1.78 1.74 0.00 3.15 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 38 G 7.78 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 0.00 0.00 0.00 39 G 8.68 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.78 3.87 0.00 1.58 1.62 0.82 0.74 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 41 V 7.32 3.62 2.19 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 1.52 0.00 0.00 1.03 0.00 0.00 42 P 0.00 4.48 0.00 2.23 2.13 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 43 G 8.52 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.06 4.04 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 45 L 8.06 4.00 0.00 1.91 1.76 1.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.00 3.97 0.00 1.82 1.65 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.14 4.06 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 48 R 7.79 3.80 0.00 2.00 2.11 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 49 E 8.05 4.08 0.00 1.99 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 2.59 2.50 0.00 50 L 8.52 4.37 0.00 1.66 1.78 0.87 1.08 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 51 G 7.41 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 52 I 7.64 4.20 1.87 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 1.34 0.65 0.93 0.00 0.00 53 R 8.51 4.26 0.00 1.80 1.98 0.00 3.20 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 54 H 7.96 4.59 0.00 3.29 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.13 4.83 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 0.84 0.00 0.00 0.94 0.00 0.00 56 D 9.52 5.22 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 5.33 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 V 8.56 4.51 2.20 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 0.77 0.00 0.00 1.04 0.00 0.00 59 C 9.05 4.97 0.00 2.97 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 8.37 5.03 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 1.23 0.62 0.91 0.00 0.00 61 S 9.65 4.88 0.00 3.84 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 62 S 8.71 5.26 0.00 3.40 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 *63 Y 8.62 4.37 0.00 2.01 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 0.00 0.00 0.00 *67 N 9.07 4.61 0.00 2.76 2.64 0.00 0.00 6.53 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 7.89 4.31 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 69 R 8.43 4.45 0.00 1.79 1.72 0.00 3.25 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 70 E 8.38 4.71 0.00 1.65 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 2.25 1.90 0.00 71 L 8.38 4.76 0.00 1.51 1.61 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.93 4.36 0.00 1.78 1.77 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.38 7.81 73 V 8.46 4.24 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 0.79 0.00 0.00 0.93 0.00 0.00 74 L 8.59 4.22 0.00 1.55 1.75 0.93 0.83 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 75 K 7.86 4.69 0.00 1.74 1.57 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.37 7.81 76 R 8.50 4.99 0.00 1.80 1.72 0.00 3.19 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 77 A 8.62 4.50 1.21 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 78 E 8.67 3.93 0.00 1.97 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 2.32 0.00 79 G 8.83 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 80 D 8.74 4.82 0.00 2.95 2.91 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 81 G 8.22 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.08 4.30 0.00 2.11 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 2.35 0.00 83 G 9.42 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 84 F 8.50 5.31 0.00 3.11 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.21 4.59 1.56 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.64 0.00 0.00 86 V 8.38 4.67 2.30 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 1.09 0.00 0.00 0.81 0.00 0.00 87 I 8.69 5.49 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 2.43 0.95 0.00 0.00 88 D 8.45 5.27 0.00 3.06 2.55 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 0.00 0.00 0.00 0.00 89 D 8.94 4.72 0.00 3.12 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.45 5.10 0.00 1.76 1.83 0.85 0.48 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 91 V 8.05 4.05 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 0.84 0.00 0.00 92 D 9.12 4.62 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 4.24 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 94 G 8.34 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 95 G 8.26 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 7.92 3.85 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 1.23 0.00 0.00 97 A 7.93 3.84 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 98 V 7.75 3.50 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 0.98 0.00 0.00 0.97 0.00 0.00 99 A 7.53 3.94 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 0.00 100 I 7.61 3.62 1.41 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.79 0.00 0.00 101 R 7.77 3.83 0.00 2.00 1.94 0.00 3.31 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 102 E 7.67 3.92 0.00 2.02 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 2.23 2.29 0.00 103 M 7.48 3.99 0.00 1.04 1.41 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 104 Y 7.75 4.85 0.00 2.91 2.78 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 0.00 105 P 0.00 4.43 0.00 2.06 2.12 0.00 3.87 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.30 0.00 106 K 7.93 4.29 0.00 2.09 1.95 0.00 2.06 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 107 A 7.62 4.68 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 0.00 108 H 9.01 4.92 0.00 3.55 3.08 0.00 5.78 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 9.08 5.19 0.00 3.15 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 0.00 110 V 8.84 4.84 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 0.72 0.00 0.00 0.79 0.00 0.00 111 T 8.06 5.54 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 0.86 0.00 0.00 112 I 8.47 3.63 1.72 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 1.31 0.90 0.01 0.00 0.00 113 F 8.05 5.46 0.00 2.93 2.82 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 0.00 114 A 8.53 4.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.76 5.17 0.00 1.82 1.66 0.00 1.95 0.00 0.00 1.93 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.15 7.81 116 P 0.00 4.08 0.00 2.12 2.12 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 117 A 8.61 4.06 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 0.00 118 G 7.80 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 0.00 0.00 0.00 119 R 7.71 3.62 0.00 1.81 1.95 0.00 3.09 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.06 0.00 120 P 0.00 4.48 0.00 2.09 2.11 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 121 L 7.63 4.29 0.00 1.82 1.85 0.96 1.29 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 0.00 122 V 6.99 4.49 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 0.33 0.00 0.00 0.95 0.00 0.00 123 D 8.75 4.61 0.00 2.52 2.64 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 0.00 124 D 7.75 4.72 0.00 2.76 2.40 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 0.00 125 Y 8.03 5.79 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.48 3.93 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 0.67 0.00 0.00 0.84 0.00 0.00 127 V 7.89 4.50 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 0.99 0.00 0.00 0.63 0.00 0.00 128 D 8.79 5.29 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 I 8.30 4.47 1.71 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.95 0.63 0.00 0.00 130 P 0.00 4.50 0.00 2.19 1.93 0.00 3.45 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 131 Q 8.68 3.93 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 132 D 7.98 4.65 0.00 2.82 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 0.00 133 T 7.49 4.75 4.28 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 1.28 0.00 0.00 134 W 9.04 4.41 0.00 3.45 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 0.00 135 I 7.38 4.36 1.29 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 0.22 0.00 0.00 136 E 8.91 4.25 0.00 2.11 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 137 Q 7.97 3.81 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 6.65 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 138 P 0.00 3.59 0.00 0.49 0.49 0.00 2.20 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.66 0.00 139 W 6.57 4.52 0.00 3.46 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 7.34 4.73 0.00 2.74 2.76 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 0.00 141 M 7.05 4.74 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 142 G 7.91 3.98 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 0.00 143 V 8.36 3.99 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 0.88 0.00 0.00 0.99 0.00 0.00 144 V 7.81 4.62 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 0.82 0.00 0.00 0.96 0.00 0.00 145 F 8.80 4.15 0.00 2.98 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.14 4.06 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 0.77 0.00 0.00 0.90 0.00 0.00 147 P 0.00 4.17 0.00 2.05 2.05 0.00 3.63 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 148 P 0.00 4.39 0.00 2.18 1.96 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 149 I 8.04 3.58 1.85 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 1.27 0.43 0.90 0.00 0.00 150 S 7.48 4.35 0.00 4.13 3.98 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 * Residues marked with a * may have inaccurate shift predictions.