NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.4894 8.0549 120.6633 62.8723 32.4171 175.0947 3 F 4.3099 9.3391 127.5676 56.4988 40.1881 174.0096 4 G 3.9343 9.4439 108.3775 45.4652 0.0000 174.4756 5 R 3.5959 8.9444 120.7456 59.9695 29.9567 179.7123 6 C 4.3201 8.1095 115.4058 59.6678 34.4198 175.5806 7 E 3.8914 8.1209 120.7354 59.2299 29.2760 178.5527 8 L 3.6216 8.3647 120.5555 57.7603 41.8485 178.4554 9 A 3.9121 7.8404 119.6941 55.2903 18.3734 179.1692 10 A 4.0448 8.0417 117.6454 55.2525 18.6429 179.3428 11 A 4.1382 7.8082 118.7751 55.4121 18.5584 180.4873 12 M 4.2040 8.1998 116.6283 55.7796 31.8440 178.8479 *14 R 4.1752 7.9918 120.0450 56.5604 32.1215 176.3022 15 H 4.4506 7.7836 112.2544 55.3914 28.6320 175.2835 16 G 3.7831 7.8567 106.8303 46.7554 0.0000 175.0869 17 L 3.7065 7.4776 120.9293 55.4929 42.0722 176.5328 18 D 4.6093 7.9367 118.1731 55.4507 41.2802 175.1298 19 N 4.3874 9.4505 122.9879 53.9672 37.0453 173.4283 20 Y 4.2884 8.2250 121.0456 58.9958 39.0792 176.2459 21 R 3.5211 9.0752 124.7658 57.0621 27.8357 177.1845 22 G 3.6676 8.3470 104.8441 45.3454 0.0000 173.6848 23 Y 4.3884 8.0143 118.8399 55.7844 38.5032 175.7141 24 S 4.8363 8.5616 120.0412 57.9617 63.9736 174.8474 25 L 4.3135 9.3470 124.1089 58.9361 41.5835 179.7312 26 G 3.9453 8.4254 104.7246 47.9642 0.0000 174.9505 27 N 4.4199 8.2971 118.5290 56.3282 38.6175 177.4953 28 W 3.9077 7.8718 119.5325 59.4474 28.9080 178.7340 29 V 3.5193 7.4665 117.2218 66.1205 31.1355 176.8797 30 C 2.4832 7.6775 116.6897 58.8715 39.3149 175.0118 31 A 4.1604 7.8437 121.9713 55.0409 17.8706 181.1644 32 A 4.2182 7.5906 117.5822 52.6872 18.3232 179.3374 *34 F 4.8707 8.0743 121.0611 59.1673 41.1789 176.8651 35 E 4.2744 8.8871 120.2104 58.6967 29.4424 177.6807 36 S 4.5730 8.0836 109.7549 56.6111 64.2668 173.5354 37 N 3.6545 8.6777 117.7482 54.9011 37.0455 173.8495 38 F 4.1524 8.1344 110.7851 57.8895 36.4238 173.6665 39 N 5.1429 7.9824 120.2894 52.0960 39.5071 176.0595 40 T 4.1803 8.7025 116.0711 63.9918 69.2634 175.5189 41 Q 4.4487 8.4662 119.6205 55.6931 29.5536 175.6897 42 A 4.3518 7.5865 120.7589 52.5272 19.3916 176.8475 43 T 5.0152 8.2812 110.4694 60.2523 72.5142 173.0743 44 N 4.9584 8.8415 120.1621 51.8074 42.9501 173.8511 45 R 4.5886 8.6834 123.0267 55.9175 31.3336 175.6592 46 N 5.1165 8.9233 121.0019 51.3735 41.2055 176.2359 47 T 3.8663 8.6442 111.6395 64.8162 68.8930 174.8874 48 D 4.4612 7.9690 118.6030 53.6743 39.4396 176.9411 49 G 3.8981 8.2605 109.7389 45.1867 0.0000 173.9987 50 S 4.6518 8.2253 114.9865 58.0022 65.4308 173.1859 51 T 5.0187 8.9693 115.7230 61.9864 73.0146 172.8432 52 D 5.4147 8.9303 124.7382 53.1155 43.2194 174.9876 53 Y 4.7175 9.0003 121.2400 57.3562 41.1609 177.3874 54 G 4.3034 9.0614 113.2235 45.3023 0.0000 173.2418 55 I 3.8972 8.4118 116.8343 62.8367 37.7950 177.0896 56 L 4.5390 7.9501 116.4995 53.4977 42.3965 176.1467 57 Q 3.4536 8.0423 116.7435 57.0741 26.8830 174.6316 58 I 4.1474 7.9131 118.6252 61.2500 39.0235 176.8687 59 N 5.4122 9.1875 126.4717 53.4791 39.8848 175.5090 60 S 4.7759 9.0108 119.9362 59.6800 63.4573 175.3816 61 R 3.6426 8.5897 122.4947 58.8940 30.3601 177.8377 62 W 4.1365 7.6501 117.2707 57.7201 30.8868 178.6042 63 W 4.7697 8.1381 119.0421 58.2637 29.4310 173.8191 64 C 5.4341 7.9782 110.7126 53.3753 45.6551 171.7214 65 N 4.9077 8.8058 119.3384 52.1012 39.7218 174.7619 66 D 4.7816 8.6655 123.4784 52.5053 39.9196 177.0339 67 G 3.9428 8.3397 106.6254 46.4376 0.0000 174.7272 68 R 4.5672 8.3639 112.8189 55.7425 30.8466 174.6225 69 T 4.4561 7.7785 115.2701 61.3024 69.9030 172.4829 70 P 4.2316 0.0000 0.0000 63.5865 31.9051 176.4883 71 G 3.6498 8.6582 109.7998 46.2729 0.0000 173.4188 72 S 4.2062 7.9778 114.1822 58.0580 62.7952 173.8257 73 R 4.2202 8.4909 126.2484 55.5421 31.9656 175.7579 74 N 4.2245 8.0566 115.6830 54.6081 37.0824 175.1171 75 L 4.2956 8.4413 117.6944 57.5033 42.3224 178.2935 76 C 4.5846 8.7107 114.9130 56.6998 40.7710 172.9935 77 N 4.3466 8.2766 115.9375 52.8856 36.2264 173.9517 78 I 4.7104 7.2061 108.5647 58.4280 41.4193 172.5729 79 P 4.7207 0.0000 0.0000 62.4545 32.0315 178.5113 80 C 4.0930 8.6737 120.4506 59.9035 36.5551 176.5967 81 S 3.8680 7.9618 115.3058 61.5483 61.7843 176.3746 82 A 4.0905 7.9092 123.3853 54.3293 17.8472 178.5160 83 L 4.4619 7.6888 115.4934 55.2426 41.8894 177.1565 84 L 4.8279 7.3224 118.2503 54.4257 42.0043 176.6657 85 S 4.4200 7.4654 112.9582 57.8506 62.7895 174.5991 86 S 4.3188 8.5321 118.9005 60.0612 63.2896 173.5704 87 D 4.7584 7.9095 122.1095 53.1763 41.6046 176.5942 88 I 3.9992 8.3773 119.6681 61.9875 37.9547 177.5628 89 T 3.5148 8.2559 119.0556 67.1059 68.3441 175.6597 90 A 3.9668 7.9088 121.5378 55.3111 18.3548 179.6602 91 S 4.0511 7.9219 113.0635 61.7079 62.7614 176.9920 92 V 3.3095 7.6087 119.8516 65.9677 31.3271 177.4338 93 N 4.2926 8.1106 115.4206 56.4792 38.6310 176.2931 94 C 4.4415 8.3758 119.6825 59.2102 43.3862 176.2227 95 A 4.4334 8.0515 121.9340 52.1721 18.0335 179.5057 *97 K 4.2204 8.0452 121.6733 58.2906 34.2421 178.4495 98 I 2.7293 7.5301 118.2904 64.0894 36.9076 178.1439 99 V 3.9984 7.7624 118.3989 64.3867 31.5072 177.6864 100 S 4.3400 8.1632 114.2944 60.7875 63.2554 174.2166 101 D 4.9762 8.1520 119.4726 52.5882 42.0650 177.5189 102 G 4.4391 7.6657 114.8213 46.4933 0.0000 174.3265 103 N 4.6250 8.8632 123.3193 53.5260 39.5138 174.5305 104 G 3.8678 7.4541 108.0945 47.9138 0.0000 175.9537 105 M 4.0716 7.8070 124.7994 55.1859 31.6399 177.2963 106 N 4.7170 7.7667 116.4565 55.5411 38.8450 176.2862 107 A 3.7990 7.1848 120.5180 53.8542 18.6575 177.8155 108 W 4.5827 7.9667 116.8797 55.0955 30.1555 177.1145 109 V 3.6742 8.5380 124.2737 66.1990 31.0932 177.6975 110 A 4.0506 8.6718 120.3698 54.6552 18.1002 179.5276 111 W 3.9871 8.2549 126.8489 60.6637 30.7745 178.2416 112 R 3.4502 8.2432 114.6815 59.2852 28.8667 178.0150 113 N 4.4649 8.1251 115.9042 54.5708 38.9131 176.6120 114 R 4.3734 7.8548 116.0213 55.3847 32.4526 175.3463 115 C 4.8867 7.9621 117.6854 56.3019 40.6191 175.5281 *117 G 3.5965 8.0193 107.5469 44.9662 0.0000 172.6729 118 T 4.4904 7.6671 109.4266 59.4887 71.3221 175.0984 119 D 4.6219 8.2565 120.6590 53.8939 40.2434 176.4772 120 V 4.1893 8.2572 120.0242 63.5013 31.9469 177.4780 121 Q 4.1256 8.1673 118.8516 58.5933 28.6776 177.8024 122 A 4.0839 7.9858 121.3277 54.6444 18.0825 179.3387 123 W 4.1694 8.3491 117.0698 58.5158 29.2641 176.9659 124 I 4.4135 7.6458 111.0239 60.0723 37.6148 175.2738 125 R 3.8551 7.4437 122.7571 58.1550 30.0789 176.6757 126 G 3.9741 8.9519 112.5631 46.0972 0.0000 174.7445 127 C 4.4846 7.8972 118.2548 59.0611 40.6685 175.2886 128 R 4.1232 8.0017 117.3431 57.9009 30.4625 176.2834 129 L 4.2563 7.7696 120.8333 54.8340 41.8169 176.2951 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 2 V 8.05 4.49 2.14 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 3 F 9.34 4.31 0.00 2.79 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 4 G 9.44 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 5 R 8.94 3.60 0.00 2.21 2.07 0.00 3.64 0.00 0.00 3.64 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.05 0.00 6 C 8.11 4.32 0.00 3.02 3.13 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 7 E 8.12 3.89 0.00 2.05 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 0.00 2.57 2.39 0.00 8 L 8.36 3.62 0.00 1.29 1.29 0.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.91 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 10 A 8.04 4.04 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 11 A 7.81 4.14 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.20 4.20 0.00 1.82 2.13 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 *14 R 7.99 4.18 0.00 1.89 1.86 0.00 3.13 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 15 H 7.78 4.45 0.00 2.92 3.16 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.86 3.78 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 0.00 0.00 0.00 17 L 7.48 3.71 0.00 1.36 0.48 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.94 4.61 0.00 2.64 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 19 N 9.45 4.39 0.00 3.04 2.95 0.00 0.00 6.22 6.88 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 20 Y 8.23 4.29 0.00 3.25 3.02 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 21 R 9.08 3.52 0.00 2.10 2.01 0.00 3.32 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.48 0.00 22 G 8.35 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.01 4.39 0.00 3.27 2.67 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 0.00 0.00 0.00 0.00 24 S 8.56 4.84 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 9.35 4.31 0.00 2.07 1.85 0.93 1.38 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 26 G 8.43 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 27 N 8.30 4.42 0.00 2.59 2.39 0.00 0.00 6.96 7.78 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 28 W 7.87 3.91 0.00 3.39 3.02 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 29 V 7.47 3.52 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 0.96 0.00 0.00 1.03 0.00 0.00 30 C 7.68 2.48 0.00 1.85 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.84 4.16 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 32 A 7.59 4.22 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 *34 F 8.07 4.87 0.00 3.07 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 35 E 8.89 4.27 0.00 2.02 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 2.57 2.58 0.00 36 S 8.08 4.57 0.00 4.10 4.13 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 37 N 8.68 3.65 0.00 2.81 2.90 0.00 0.00 7.11 7.02 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 38 F 8.13 4.15 0.00 3.34 3.16 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 39 N 7.98 5.14 0.00 2.86 2.83 0.00 0.00 6.99 6.80 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 40 T 8.70 4.18 4.51 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 1.49 0.00 0.00 41 Q 8.47 4.45 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 42 A 7.59 4.35 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 43 T 8.28 5.02 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 1.29 0.00 0.00 44 N 8.84 4.96 0.00 2.57 2.67 0.00 0.00 7.11 8.16 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 45 R 8.68 4.59 0.00 1.66 1.83 0.00 3.31 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 46 N 8.92 5.12 0.00 2.86 2.69 0.00 0.00 6.50 7.45 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 47 T 8.64 3.87 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 48 D 7.97 4.46 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.26 3.90 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 0.00 0.00 0.00 50 S 8.23 4.65 0.00 3.87 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 51 T 8.97 5.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 52 D 8.93 5.41 0.00 2.62 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 53 Y 9.00 4.72 0.00 2.97 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 54 G 9.06 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 0.00 0.00 0.00 0.00 55 I 8.41 3.90 1.91 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.77 0.85 0.00 0.00 56 L 7.95 4.54 0.00 1.75 1.80 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.04 3.45 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.81 0.00 58 I 7.91 4.15 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 1.09 0.00 0.00 59 N 9.19 5.41 0.00 3.05 3.05 0.00 0.00 6.97 7.18 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 60 S 9.01 4.78 0.00 4.02 4.32 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 61 R 8.59 3.64 0.00 1.54 1.35 0.00 2.67 0.00 0.00 2.65 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 62 W 7.65 4.14 0.00 1.78 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 0.00 0.00 0.00 63 W 8.14 4.77 0.00 3.70 3.27 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 64 C 7.98 5.43 0.00 3.24 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 65 N 8.81 4.91 0.00 2.70 2.68 0.00 0.00 7.15 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.67 4.78 0.00 2.80 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 67 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 68 R 8.36 4.57 0.00 1.89 1.95 0.00 3.06 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 69 T 7.78 4.46 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 1.10 0.00 0.00 70 P 0.00 4.23 0.00 1.96 1.92 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 71 G 8.66 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 0.00 0.00 0.00 72 S 7.98 4.21 0.00 3.87 3.71 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 73 R 8.49 4.22 0.00 1.96 1.95 0.00 3.49 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 74 N 8.06 4.22 0.00 2.85 2.77 0.00 0.00 7.25 6.66 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 75 L 8.44 4.30 0.00 1.94 1.94 0.56 0.82 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 76 C 8.71 4.58 0.00 3.29 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 77 N 8.28 4.35 0.00 2.92 2.91 0.00 0.00 6.72 7.61 0.00 0.00 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 I 7.21 4.71 1.86 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 1.43 0.72 0.91 0.00 0.00 79 P 0.00 4.72 0.00 2.14 1.95 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 80 C 8.67 4.09 0.00 2.07 1.55 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 81 S 7.96 3.87 0.00 4.02 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 82 A 7.91 4.09 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 83 L 7.69 4.46 0.00 1.80 1.79 0.99 0.82 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 84 L 7.32 4.83 0.00 1.83 1.74 1.10 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.47 4.42 0.00 3.89 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 86 S 8.53 4.32 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.76 0.00 2.70 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 88 I 8.38 4.00 1.71 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.56 0.77 0.00 0.00 89 T 8.26 3.51 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 1.14 0.00 0.00 90 A 7.91 3.97 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 91 S 7.92 4.05 0.00 3.97 3.90 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 92 V 7.61 3.31 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 0.48 0.00 0.00 0.69 0.00 0.00 93 N 8.11 4.29 0.00 2.62 2.80 0.00 0.00 7.04 7.37 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 94 C 8.38 4.44 0.00 3.06 3.20 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 95 A 8.05 4.43 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 K 8.05 4.22 0.00 1.99 1.97 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.62 7.81 98 I 7.53 2.73 1.66 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.08 0.00 0.00 99 V 7.76 4.00 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 1.19 0.00 0.00 0.98 0.00 0.00 100 S 8.16 4.34 0.00 4.10 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 0.00 101 D 8.15 4.98 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 0.00 102 G 7.67 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 0.00 103 N 8.86 4.63 0.00 2.75 2.76 0.00 0.00 6.78 7.99 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 0.00 104 G 7.45 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 7.81 4.07 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.14 0.00 106 N 7.77 4.72 0.00 3.04 3.02 0.00 0.00 6.87 6.92 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 0.00 107 A 7.18 3.80 0.49 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 0.00 108 W 7.97 4.58 0.00 3.54 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 0.00 109 V 8.54 3.67 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 0.99 0.00 0.00 110 A 8.67 4.05 1.55 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 0.00 0.00 111 W 8.25 3.99 0.00 3.40 3.54 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 0.00 0.00 0.00 0.00 112 R 8.24 3.45 0.00 2.06 2.41 0.00 3.22 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.71 0.00 113 N 8.13 4.46 0.00 2.65 2.81 0.00 0.00 6.87 7.28 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 0.00 114 R 7.85 4.37 0.00 1.41 1.11 0.00 2.21 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 115 C 7.96 4.89 0.00 2.42 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 *117 G 8.02 3.60 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 0.00 0.00 0.00 118 T 7.67 4.49 4.31 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 1.23 0.00 0.00 119 D 8.26 4.62 0.00 2.84 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 0.00 120 V 8.26 4.19 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 0.90 0.00 0.00 1.13 0.00 0.00 121 Q 8.17 4.13 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 122 A 7.99 4.08 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 0.00 123 W 8.35 4.17 0.00 3.49 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 0.00 124 I 7.65 4.41 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 1.03 0.00 0.00 125 R 7.44 3.86 0.00 1.83 1.87 0.00 3.28 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 126 G 8.95 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 0.00 127 C 7.90 4.48 0.00 3.03 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.00 4.12 0.00 1.81 1.98 0.00 3.21 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 129 L 7.77 4.26 0.00 1.61 1.57 0.93 0.81 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 * Residues marked with a * may have inaccurate shift predictions.