NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.2475 8.4449 121.4677 55.7102 30.8214 174.7639 5 D 4.4118 8.3976 121.9914 53.4659 41.2772 175.4110 6 L 4.1556 9.1448 124.4283 54.8452 43.4861 176.2499 7 F 5.1100 7.5519 116.7125 55.5070 41.9708 174.9268 8 I 4.0326 9.0414 127.7082 63.4493 37.3949 175.7080 9 C 4.6467 7.4801 113.8063 57.4877 32.5268 172.2162 10 I 4.2669 8.2993 120.4749 61.3746 36.6777 176.0471 11 D 4.7081 9.6855 129.0055 57.3145 42.0360 175.4361 12 H 5.1690 7.7461 109.6118 55.1340 31.2592 173.0954 13 V 4.5351 8.5968 119.4307 61.0931 33.7736 174.2758 14 A 4.8429 9.1434 130.6767 51.4661 19.9308 175.2010 15 Y 4.9991 9.2859 123.2396 55.6922 41.8373 174.0188 16 A 4.4497 8.0581 128.9025 50.5743 21.5070 175.3995 17 C 4.5938 7.7789 114.6238 56.5972 32.7491 173.3733 18 P 4.1579 0.0000 0.0000 64.8720 31.3077 177.0598 19 D 4.6193 7.7961 116.9128 51.4965 43.7615 175.5023 20 A 3.9994 8.5310 129.7800 55.2420 18.5985 178.5438 21 D 4.3088 8.1164 116.9469 57.6702 40.9955 178.5564 22 E 3.9703 9.5763 120.4335 59.1409 29.5119 178.7084 23 A 4.1289 7.9437 120.3288 55.2485 18.4408 179.4959 24 S 4.0499 8.2920 111.7494 61.5303 62.4898 176.3491 25 K 3.9338 8.1808 121.1233 59.6804 31.7709 178.5298 26 Y 4.0105 8.1301 119.5160 61.0411 38.8261 177.6854 27 Y 3.7110 8.5444 117.8992 61.1466 37.9545 178.9313 28 Q 4.3867 8.3850 120.2489 58.5642 28.7270 178.4471 29 E 3.8605 8.2733 118.4888 59.7521 29.6448 179.1781 30 T 3.8998 7.4227 114.0735 65.3196 68.8884 176.0187 31 F 4.7611 7.3900 116.5201 57.1218 39.8308 176.7505 32 G 3.9241 8.1692 108.2382 45.7475 0.0000 173.6968 33 W 4.5865 8.2537 119.8628 56.4515 30.8229 174.7441 34 H 5.0557 9.6080 118.8448 54.0772 30.9407 173.7078 35 E 4.3376 8.8775 123.8095 55.7471 29.6189 175.7641 36 L 4.2910 8.8140 127.3724 57.1180 42.5682 176.7555 37 H 4.9884 7.7629 113.3876 54.2015 32.8736 172.2230 38 R 4.9866 8.3460 119.2820 54.6548 33.6683 174.4608 39 E 4.7616 9.2706 122.5439 54.6975 33.8601 173.6455 40 E 4.8443 8.6707 125.1948 54.7404 32.7771 174.0636 41 N 4.9015 9.2294 127.6304 51.0918 39.6016 173.3404 42 P 4.3720 0.0000 0.0000 65.2316 31.9171 178.0513 43 E 4.1347 8.3404 118.1100 59.3101 29.6110 177.8165 44 Q 4.0811 8.6338 115.5358 56.0650 29.4124 175.8928 45 G 3.9293 7.9726 106.3185 46.4679 0.0000 173.1926 46 V 4.9911 7.8808 117.5550 60.6954 35.6777 174.4249 47 V 4.8678 8.6920 126.8130 59.9587 33.3321 174.7856 48 E 5.0036 9.2164 123.7624 54.9856 33.4054 175.4859 49 I 5.0602 8.4859 121.4926 59.2138 41.8652 173.9810 *52 A 4.3131 8.4920 123.9336 52.0717 19.3078 176.0595 53 P 2.9700 0.0000 0.0000 63.4510 31.5882 176.0852 54 A 4.5688 7.0759 120.2910 50.1227 22.2345 175.9048 55 A 3.8882 8.2778 122.7188 53.9788 18.7355 178.4734 56 K 4.5584 7.5865 114.3416 54.3832 34.2610 175.7778 57 L 4.2218 8.3832 124.1004 54.4124 42.3719 177.0374 58 T 4.3396 8.1612 113.5120 60.1744 70.4354 174.2469 59 E 3.9044 8.7812 122.9267 59.2147 29.3895 176.7677 60 H 4.6820 7.9226 114.8316 54.1342 30.1405 174.2439 *62 T 4.3272 8.2293 120.5442 63.6013 69.6275 173.2554 63 Q 4.9091 8.5874 123.6262 54.3778 32.5374 174.2896 64 V 4.7669 8.5993 119.9216 61.4305 33.5938 174.3959 65 Q 4.5644 9.1011 130.3719 54.8383 30.3858 175.3827 66 V 4.6835 8.9390 127.6602 61.2297 33.9210 174.2388 *68 A 5.0003 8.5070 122.6161 51.1634 19.9890 174.1075 69 P 4.9725 0.0000 0.0000 62.4413 32.3259 176.0792 70 L 4.5340 8.6416 121.7422 56.0724 42.6382 175.9942 71 N 4.6897 7.6052 114.4941 51.9186 39.4789 174.8454 72 D 4.5302 8.6515 117.8777 56.3035 40.8827 177.1996 73 E 4.4083 8.1586 117.9605 56.4880 30.3802 177.2403 74 S 4.4085 7.7890 115.8277 57.9935 65.1764 175.0912 75 T 3.9142 8.5465 114.4725 65.3072 68.2620 176.6980 76 V 3.5700 7.7841 120.2390 65.6636 31.5094 177.7580 77 A 4.0722 7.7662 120.8657 55.0448 18.2296 179.7998 78 K 3.9464 8.2458 117.1141 59.2934 32.1180 179.4091 79 W 4.1072 8.6262 128.9561 60.3937 30.6262 178.0774 80 L 4.1652 8.4313 118.8273 57.8796 41.2288 179.3595 81 A 4.0305 8.3465 121.0185 54.9938 18.0688 179.5445 82 K 3.8010 8.2853 117.7049 59.0623 32.4199 177.5352 83 H 4.4835 7.6607 115.5761 54.9958 29.6815 174.7305 84 N 3.9578 8.6333 115.1651 54.4572 36.4177 175.8448 85 G 3.8763 8.5615 104.6443 45.7986 0.0000 174.6455 86 R 4.1821 7.8355 119.5201 54.9883 30.3479 176.5509 87 A 4.3170 8.7405 126.5382 52.0073 19.2883 176.6584 88 G 4.2286 7.9692 107.7708 45.5121 0.0000 172.3535 89 L 4.4620 8.8707 119.6478 55.6440 42.0466 176.1329 90 H 4.3687 9.2570 124.7089 57.0951 30.5134 173.7518 91 H 4.4226 7.6972 117.2456 55.1895 35.3161 172.7729 *93 A 4.3826 8.5459 117.8562 51.4065 20.2861 175.2310 94 W 5.3418 8.9987 122.1953 54.8609 31.9001 175.4523 95 R 4.8359 9.3432 125.7380 56.2720 30.7816 175.5272 96 V 4.7504 8.7280 117.7695 59.7271 35.6704 176.4855 97 D 4.1515 8.8880 123.1138 56.7343 41.5741 176.5317 98 D 4.8187 7.6755 120.2078 51.7151 43.5553 175.3356 99 I 3.7432 9.6889 129.4754 64.0539 38.1433 177.5220 100 D 4.3176 8.1582 119.2059 57.2007 40.8859 178.3139 101 A 3.9694 8.6512 121.6724 55.2130 18.3234 179.9155 102 V 3.4552 7.8058 116.6881 66.2092 31.5529 178.2542 103 S 4.1249 8.2798 114.7822 61.5676 62.6112 176.6684 104 A 3.9749 7.8778 122.7654 55.5694 17.7241 179.7458 105 T 3.8373 7.7153 113.7404 66.7156 68.4677 176.8545 106 L 4.0557 8.2298 121.0496 57.9014 41.6301 179.7988 107 R 4.1513 8.0933 119.3160 58.8274 29.8705 178.6626 108 E 3.7157 8.3810 117.9000 58.6079 29.4401 178.0902 109 R 4.6139 7.2938 115.5459 55.5979 30.6105 176.7052 110 G 3.8841 8.6094 106.6525 45.8283 0.0000 174.2494 111 V 3.8859 7.8239 119.8158 61.9872 32.2582 174.9556 112 Q 4.4646 8.4425 125.9874 54.4609 29.6002 175.2117 113 L 4.8304 8.0208 122.8531 52.6926 43.9157 176.4610 114 L 4.1140 8.9350 125.6059 58.1222 42.1765 176.9187 115 Y 4.9987 7.6050 114.7828 56.5535 39.3916 175.9034 116 D 4.5786 8.8484 123.1138 56.4888 41.3903 176.6129 117 E 4.7192 7.8163 117.6739 53.0775 32.6729 172.8359 118 P 4.4873 0.0000 0.0000 63.6096 32.0949 175.8747 119 K 4.3981 9.3540 123.0812 54.8837 34.9813 174.8197 120 L 4.7845 8.2798 123.5559 54.1505 43.2884 175.9521 121 G 4.4917 8.8805 116.2126 43.9944 0.0000 172.1994 122 T 4.0137 8.2504 108.9797 62.7754 69.4088 175.5402 123 G 3.7465 8.7618 111.4562 45.3673 0.0000 174.0005 124 G 3.8188 7.6773 105.6427 45.8357 0.0000 173.1451 125 N 4.9382 7.5821 115.8516 52.1604 40.4341 174.6024 126 R 4.9901 8.4879 121.6700 55.4594 32.1348 175.6655 127 I 5.6238 8.9788 115.8436 59.6402 42.0631 172.7532 128 N 5.2183 7.9791 119.2295 52.9974 42.2853 172.2091 129 F 5.1003 8.1715 121.2148 55.8196 43.3116 174.3851 *131 H 4.7803 8.7241 120.6165 56.0085 30.0460 172.3193 132 P 4.1116 0.0000 0.0000 66.0406 31.3039 178.9534 133 K 4.0016 8.0833 116.5547 59.4386 31.7381 179.5083 134 S 4.2557 8.6657 115.5369 61.3741 62.9408 176.0966 135 G 3.7713 7.9123 105.8544 43.4591 0.0000 173.5620 136 K 3.9598 8.4278 118.7067 56.4445 30.1101 173.3949 137 G 4.1153 8.1348 114.2539 45.9446 0.0000 173.7897 138 V 4.2759 7.0771 118.9726 59.1174 33.2934 175.1547 139 L 4.1701 8.3453 123.7678 54.5548 42.3787 175.9785 140 I 4.0833 8.1759 126.8956 59.3350 39.1854 174.1768 141 E 4.1876 8.2285 126.3128 54.8130 31.8630 174.3256 142 L 5.2599 8.4932 124.9984 53.2346 44.6490 175.4731 143 T 5.1414 8.8935 117.7493 60.4168 71.3723 171.9825 144 Q 5.2052 8.9810 129.4023 53.5324 31.7910 174.3444 145 Y 4.8217 8.8540 123.9713 57.4423 39.1111 173.0094 146 P 4.8145 0.0000 0.0000 61.5778 32.9681 175.8777 147 K 4.1785 8.4013 122.4787 56.7122 33.1753 175.9104 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 E 8.44 4.25 0.00 1.92 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 2.16 2.32 0.00 5 D 8.40 4.41 0.00 2.76 2.57 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 6 L 9.14 4.16 0.00 0.90 0.90 0.88 0.68 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 7 F 7.55 5.11 0.00 2.89 2.85 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 8 I 9.04 4.03 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.45 0.88 0.00 0.00 9 C 7.48 4.65 0.00 2.94 3.04 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 10 I 8.30 4.27 1.91 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 1.11 0.36 1.10 0.00 0.00 11 D 9.69 4.71 0.00 2.90 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 12 H 7.75 5.17 0.00 3.34 3.30 0.00 5.53 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 13 V 8.60 4.54 2.17 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 1.09 0.00 0.00 1.02 0.00 0.00 14 A 9.14 4.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.29 5.00 0.00 2.92 2.71 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 0.00 0.00 0.00 16 A 8.06 4.45 0.42 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 17 C 7.78 4.59 0.00 2.86 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 18 P 0.00 4.16 0.00 2.06 2.15 0.00 3.61 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 2.03 2.08 0.00 19 D 7.80 4.62 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.00 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 21 D 8.12 4.31 0.00 2.87 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 22 E 9.58 3.97 0.00 1.99 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 0.00 2.32 2.35 0.00 23 A 7.94 4.13 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.05 0.00 3.91 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 25 K 8.18 3.93 0.00 2.04 1.90 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.66 1.64 7.81 26 Y 8.13 4.01 0.00 3.14 3.24 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 27 Y 8.54 3.71 0.00 3.27 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.38 4.39 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 29 E 8.27 3.86 0.00 1.76 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 2.56 2.44 0.00 30 T 7.42 3.90 2.69 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 0.66 0.00 0.00 31 F 7.39 4.76 0.00 3.01 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 32 G 8.17 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.25 4.59 0.00 3.68 3.45 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 34 H 9.61 5.06 0.00 2.99 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.88 4.34 0.00 2.04 1.91 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 2.29 2.37 0.00 36 L 8.81 4.29 0.00 1.75 1.74 1.04 1.11 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 37 H 7.76 4.99 0.00 3.18 3.12 0.00 5.75 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 38 R 8.35 4.99 0.00 1.65 1.78 0.00 3.18 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 39 E 9.27 4.76 0.00 1.93 1.70 0.00 0.00 0.00 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 2.37 0.00 40 E 8.67 4.84 0.00 1.95 1.75 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 2.17 2.28 0.00 41 N 9.23 4.90 0.00 2.93 2.68 0.00 0.00 6.51 7.25 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 42 P 0.00 4.37 0.00 2.21 2.17 0.00 3.81 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 1.98 1.98 0.00 43 E 8.34 4.13 0.00 2.13 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 2.30 2.27 0.00 44 Q 8.63 4.08 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 45 G 7.97 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 0.00 0.00 0.00 46 V 7.88 4.99 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 1.06 0.00 0.00 0.93 0.00 0.00 47 V 8.69 4.87 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 0.78 0.00 0.00 1.05 0.00 0.00 48 E 9.22 5.00 0.00 1.86 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 2.17 2.21 0.00 49 I 8.49 5.06 1.85 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 1.11 1.62 0.98 0.00 0.00 *52 A 8.49 4.31 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 53 P 0.00 2.97 0.00 1.59 0.65 0.00 3.33 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 54 A 7.08 4.57 1.11 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 55 A 8.28 3.89 1.11 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 56 K 7.59 4.56 0.00 1.68 1.69 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.33 7.81 57 L 8.38 4.22 0.00 1.66 1.62 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.16 4.34 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 1.19 0.00 0.00 59 E 8.78 3.90 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 1.70 2.17 0.00 60 H 7.92 4.68 0.00 3.11 3.20 0.00 5.98 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 8.23 4.33 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 1.39 0.00 0.00 63 Q 8.59 4.91 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 64 V 8.60 4.77 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 0.60 0.00 0.00 0.99 0.00 0.00 65 Q 9.10 4.56 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 66 V 8.94 4.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.78 0.00 0.00 *68 A 8.51 5.00 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 69 P 0.00 4.97 0.00 2.24 2.13 0.00 3.96 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 70 L 8.64 4.53 0.00 1.55 1.75 0.91 1.06 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 71 N 7.61 4.69 0.00 2.99 2.87 0.00 0.00 6.29 8.07 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 72 D 8.65 4.53 0.00 2.69 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 73 E 8.16 4.41 0.00 2.09 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 2.29 2.28 0.00 74 S 7.79 4.41 0.00 4.09 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 75 T 8.55 3.91 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 1.22 0.00 0.00 76 V 7.78 3.57 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 0.99 0.00 0.00 0.84 0.00 0.00 77 A 7.77 4.07 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 78 K 8.25 3.95 0.00 2.04 1.90 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.48 1.66 7.81 79 W 8.63 4.11 0.00 3.53 3.37 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 80 L 8.43 4.17 0.00 2.06 1.79 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.35 4.03 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 82 K 8.29 3.80 0.00 1.65 1.72 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.97 1.26 7.81 83 H 7.66 4.48 0.00 2.65 2.92 0.00 6.02 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.63 3.96 0.00 2.84 2.85 0.00 0.00 6.85 7.24 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 85 G 8.56 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 86 R 7.84 4.18 0.00 1.90 1.94 0.00 3.15 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 1.66 1.84 0.00 87 A 8.74 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.97 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 0.00 0.00 0.00 0.00 89 L 8.87 4.46 0.00 1.77 1.72 0.99 1.07 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 90 H 9.26 4.37 0.00 2.42 3.11 0.00 5.79 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 91 H 7.70 4.42 0.00 3.52 3.18 0.00 5.54 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 A 8.55 4.38 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.00 5.34 0.00 3.03 2.81 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 95 R 9.34 4.84 0.00 1.85 1.76 0.00 2.67 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.33 0.00 96 V 8.73 4.75 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 0.99 0.00 0.00 1.02 0.00 0.00 97 D 8.89 4.15 0.00 2.57 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 98 D 7.68 4.82 0.00 2.67 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 99 I 9.69 3.74 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.96 0.00 0.00 100 D 8.16 4.32 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.65 3.97 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 0.00 102 V 7.81 3.46 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 0.92 0.00 0.00 0.84 0.00 0.00 103 S 8.28 4.12 0.00 4.11 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 0.00 104 A 7.88 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 T 7.72 3.84 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 1.20 0.00 0.00 106 L 8.23 4.06 0.00 1.89 1.77 1.09 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.09 4.15 0.00 1.98 1.98 0.00 3.17 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 108 E 8.38 3.72 0.00 2.01 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 2.34 2.38 0.00 109 R 7.29 4.61 0.00 2.01 1.94 0.00 3.31 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 110 G 8.61 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 0.00 111 V 7.82 3.89 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 0.96 0.00 0.00 1.01 0.00 0.00 112 Q 8.44 4.46 0.00 1.89 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.43 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 113 L 8.02 4.83 0.00 1.63 1.77 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.93 4.11 0.00 1.56 1.14 0.39 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 7.61 5.00 0.00 3.21 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 0.00 116 D 8.85 4.58 0.00 2.72 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 0.00 117 E 7.82 4.72 0.00 1.87 1.77 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 2.18 2.37 0.00 118 P 0.00 4.49 0.00 1.99 2.05 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.21 0.00 119 K 9.35 4.40 0.00 1.43 1.56 0.00 1.26 0.00 0.00 0.64 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 1.04 7.81 120 L 8.28 4.78 0.00 1.60 1.53 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.88 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 8.25 4.01 4.21 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 1.34 0.00 0.00 123 G 8.76 3.75 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 0.00 0.00 0.00 124 G 7.68 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 0.00 0.00 0.00 125 N 7.58 4.94 0.00 2.98 2.79 0.00 0.00 7.02 7.54 0.00 0.00 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 R 8.49 4.99 0.00 1.83 1.86 0.00 3.10 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 127 I 8.98 5.62 1.87 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.97 0.00 0.00 128 N 7.98 5.22 0.00 2.84 2.68 0.00 0.00 6.62 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 8.17 5.10 0.00 2.80 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 *131 H 8.72 4.78 0.00 3.19 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.11 0.00 2.14 2.12 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 133 K 8.08 4.00 0.00 1.78 1.87 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.49 7.81 134 S 8.67 4.26 0.00 3.98 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 0.00 135 G 7.91 3.77 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 0.00 0.00 0.00 136 K 8.43 3.96 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.57 7.81 137 G 8.13 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 0.00 0.00 0.00 0.00 138 V 7.08 4.28 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 0.76 0.00 0.00 0.95 0.00 0.00 139 L 8.35 4.17 0.00 1.62 1.68 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.18 4.08 1.40 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.03 -0.60 0.00 0.00 141 E 8.23 4.19 0.00 1.59 1.64 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 2.06 1.65 0.00 142 L 8.49 5.26 0.00 1.52 1.60 0.99 0.87 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 0.00 143 T 8.89 5.14 4.30 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 1.40 0.00 0.00 144 Q 8.98 5.21 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 145 Y 8.85 4.82 0.00 2.79 2.85 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 0.00 146 P 0.00 4.81 0.00 2.07 2.28 0.00 3.64 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 1.89 2.09 0.00 147 K 8.40 4.18 0.00 1.74 1.70 0.00 1.83 0.00 0.00 1.85 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.