NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2283 8.1593 115.2416 61.9644 68.4114 173.3204 2 R 4.2383 8.2769 124.9105 54.4420 31.7995 173.3017 3 T 4.5677 7.9144 112.0304 61.0088 71.8958 172.8247 4 Y 5.2914 8.2661 123.4178 55.9859 40.9866 174.7366 5 D 4.7442 9.2304 124.7138 54.1300 42.5909 177.5684 6 R 4.2521 8.8553 116.1749 57.7228 29.4408 176.7933 7 E 4.5793 8.4354 116.7924 56.1448 30.5332 176.7563 8 G 3.8773 8.0492 108.2558 44.9093 0.0000 174.4658 9 F 4.5806 7.8501 119.4299 57.4740 40.2064 174.3614 10 K 4.6307 9.3162 125.8406 56.1231 33.5171 175.7272 11 K 4.9460 8.7940 127.4102 56.1064 33.5394 176.2612 12 R 5.3197 8.9246 121.9949 54.6263 35.5064 173.9209 13 A 5.3635 9.1617 121.3276 50.5016 22.5189 175.2252 14 A 5.0996 9.6203 123.1460 50.3465 23.5394 174.4621 15 C 5.9001 8.0572 114.9024 56.6685 31.4045 174.3320 16 L 3.8812 8.5705 123.5749 55.0982 42.2393 175.7744 17 C 4.7944 8.2428 123.0160 58.9496 29.4858 173.2719 18 F 6.3000 9.8129 122.5586 55.1956 41.9880 176.2272 19 R 4.0614 8.8439 115.5674 57.5426 30.6567 175.7297 20 S 4.5388 7.6717 113.1244 57.1102 65.2956 173.9237 21 E 4.1883 8.6733 116.6177 57.0369 28.8788 176.8819 22 Q 4.3206 7.6540 118.1472 59.0448 29.5774 177.1599 23 E 2.7688 7.4519 108.6074 57.1303 27.7080 173.6751 24 D 4.9077 8.0514 126.9913 54.4273 45.0458 174.5819 25 E 5.1807 8.4455 117.1983 55.0669 33.4200 175.7656 26 V 5.1893 8.8237 118.4456 59.4058 34.7652 174.5923 27 L 4.4179 7.8957 123.0783 53.3474 43.5839 175.2962 28 L 4.7541 8.2188 126.0679 53.1473 44.5210 175.9900 29 V 5.4383 8.3805 115.0502 59.3049 35.0282 175.5488 30 S 4.3096 8.6889 119.0006 58.1013 63.5039 174.1086 31 S 4.1261 8.6488 117.8437 58.8418 62.6376 175.3899 32 S 4.1394 8.8721 121.1611 60.4496 62.4778 174.8236 33 R 4.2040 7.7247 114.4727 56.2645 30.5916 175.8559 34 Y 4.6999 7.0218 117.1373 54.2799 38.0991 173.5978 35 P 4.1277 0.0000 0.0000 65.8106 31.3761 178.4169 36 D 4.3106 7.9354 116.6763 56.1752 41.2415 176.2458 37 Q 4.4323 8.3263 118.9531 54.8242 30.5142 174.8851 38 W 5.4283 8.5145 120.9795 55.1283 32.2868 175.1572 39 I 4.6932 9.0679 116.1532 59.2299 40.8656 174.5918 40 V 4.0616 8.4897 118.6948 60.9838 31.6910 174.2354 41 P 4.3473 0.0000 0.0000 62.4045 32.3793 176.0367 42 G 3.8515 8.3228 111.8232 46.1328 0.0000 171.2755 43 G 4.5230 6.9991 105.0872 45.8595 0.0000 172.1961 44 G 4.1105 8.5356 106.7283 45.4564 0.0000 174.2056 45 M 4.3087 8.5299 124.6676 55.6998 32.6915 176.3084 46 E 3.9313 9.5450 122.1090 56.0888 31.3574 176.1868 47 P 3.4964 0.0000 0.0000 63.0449 33.0088 176.3603 48 E 4.6031 7.7950 119.3853 54.1701 29.7821 174.0784 49 E 4.6066 8.2274 124.5816 54.7630 32.4546 176.0781 50 E 4.1598 8.4142 125.2943 55.2058 31.6297 176.2158 51 P 4.2777 0.0000 0.0000 65.9776 31.1545 178.7216 52 G 3.4391 8.1754 105.1547 47.5448 0.0000 175.6332 53 G 3.4646 7.7802 107.5427 47.2772 0.0000 175.5216 54 A 3.9354 8.4296 123.7077 54.5731 18.3147 179.4642 55 A 3.9671 8.8550 120.4990 55.3912 18.5179 180.0203 56 V 3.4817 7.6010 116.5544 66.2755 31.6625 178.2612 57 R 3.8652 8.2286 118.6727 59.1943 29.7449 178.2832 58 E 3.9260 8.4387 118.7875 59.4957 29.4576 179.2318 59 V 3.5490 7.9606 118.2630 66.2240 31.4639 177.3575 60 Y 4.4054 7.9001 120.2971 60.3271 38.4590 178.0704 61 E 4.0346 8.1775 117.9101 59.6520 29.7675 178.3935 62 E 3.9727 9.2163 119.0684 57.9236 29.2047 177.6810 63 A 3.9196 8.3101 129.4098 53.8365 19.9214 177.9846 64 G 3.9536 7.8836 103.1877 46.0008 0.0000 172.7274 65 V 5.0145 7.0714 110.1832 59.2374 37.1655 175.3292 66 K 4.8490 9.1282 122.1482 55.3472 35.7562 175.2481 67 G 4.2091 8.3452 112.1471 45.6100 0.0000 172.9785 68 K 4.4427 8.8654 122.1258 54.5469 32.0301 174.0859 69 L 3.9870 8.5222 127.1015 56.2480 40.3482 176.6941 70 G 4.3729 8.2391 116.3217 45.3815 0.0000 171.9026 71 R 4.6026 8.6484 118.0240 55.7744 31.9138 175.1568 72 L 4.7097 8.5110 121.8001 53.3832 42.7418 175.6292 73 L 4.3772 8.1895 126.3109 55.6721 40.5888 175.5051 74 G 3.4966 7.5673 105.3922 44.2636 0.0000 172.7431 75 I 4.3043 7.5298 119.4138 59.1371 39.2090 174.5373 76 F 4.8220 8.8296 129.0262 56.0774 40.8935 175.0496 77 E 5.1198 8.7730 119.6445 54.7491 32.6340 175.3453 78 N 4.8134 8.8540 120.1650 51.6043 39.3065 174.7278 79 Q 4.0375 9.0048 122.7418 58.7862 29.1512 177.6034 80 D 4.3365 7.8818 121.0402 55.0233 40.7685 173.4068 81 R 3.6206 8.5167 128.9309 56.3627 27.2573 174.2735 82 K 5.3021 7.7447 118.6547 55.8390 33.1770 176.0157 83 H 5.5974 8.7040 123.9329 54.8581 32.2346 174.5032 84 R 4.8505 9.2600 119.5921 54.9029 33.2171 173.6908 85 T 4.9410 8.6280 119.7644 60.3769 69.4289 173.1617 86 Y 4.1597 9.3370 128.0695 57.9424 39.2608 174.7290 87 V 4.6522 7.9957 124.8595 61.2075 33.9898 173.9972 88 Y 5.2441 8.9911 125.0625 56.1312 42.0865 175.3147 89 V 4.4707 8.9086 117.0404 61.2062 32.8699 174.8288 90 L 4.9771 9.0269 128.4682 53.4196 45.0587 175.1128 91 T 5.1085 8.3573 121.3111 60.1029 68.5306 173.2811 92 V 4.0732 9.1533 129.6537 64.2947 31.7334 175.5502 93 T 4.6814 8.8667 119.1696 61.2945 69.3366 173.1420 94 E 4.6929 7.9513 117.9580 56.0879 33.1171 174.0656 95 I 4.6065 8.5806 121.9271 59.1369 38.5057 175.5967 96 L 4.2199 8.1518 127.2844 53.8401 42.3970 179.4594 97 E 4.7233 8.8070 126.7881 56.4027 28.4671 178.3842 98 D 4.5999 8.7288 122.7971 55.6894 41.3194 176.6658 99 W 4.8720 7.8324 127.2934 55.6071 29.3174 175.7443 *106 G 3.7587 7.6046 107.1350 44.8758 0.0000 170.6908 107 R 4.0945 8.1240 120.3835 55.1415 30.9459 175.5476 108 K 4.8197 8.6301 125.2505 55.8830 35.6966 175.6944 109 R 5.8712 8.7252 116.4138 56.0271 32.0861 173.9041 110 E 4.6427 8.4069 120.3552 54.4638 33.4321 173.9411 111 W 4.8338 8.5783 120.6476 56.5488 30.2834 175.8621 112 F 4.6778 9.2235 122.8591 55.0835 42.0573 174.8521 113 K 4.4718 8.9267 122.9407 57.1949 32.7262 177.8708 114 V 3.5725 9.5273 126.6648 66.2462 31.5104 177.8912 115 E 4.0696 8.2500 119.4613 58.7732 29.3165 177.4494 116 D 4.2499 8.3046 116.6639 55.6736 41.2423 177.6076 117 A 3.9919 7.9852 121.5602 55.3752 18.8049 179.1615 118 I 3.4789 7.8402 117.8894 64.8081 36.7895 178.1982 119 K 3.9369 7.5980 118.7359 59.5423 31.8242 179.5135 120 V 3.8104 7.2321 117.1575 63.4470 31.6877 176.6535 121 L 4.4508 7.3088 120.1348 55.9151 43.2294 177.7045 122 Q 3.9334 7.8715 119.4353 59.0484 28.6468 177.5937 123 C 4.0852 7.7946 119.2193 62.3869 31.9196 173.9765 124 H 4.6256 7.7868 114.7063 56.8750 29.8679 175.6729 125 K 4.5755 7.7422 118.2901 53.1205 31.0993 175.3068 126 P 4.4695 0.0000 0.0000 65.1809 31.3380 178.6486 127 V 4.0801 7.5574 118.2016 64.6124 31.7935 177.9094 128 H 2.5800 7.7431 116.2393 57.9112 28.6557 176.9692 129 A 4.0905 7.1633 118.3451 53.2659 18.2535 178.5294 130 E 4.1174 7.8156 118.4458 58.6529 29.8710 177.6024 131 Y 3.3215 7.4284 117.3358 60.7549 37.9799 178.1416 132 L 4.0753 7.8627 119.0820 57.8479 41.6289 178.9781 133 E 3.9715 7.7672 118.0824 59.4669 29.6792 179.0606 134 K 4.2355 8.1953 116.5584 59.3653 33.1381 178.4336 135 L 4.2350 7.9269 121.9904 57.7631 41.6735 177.8316 136 K 4.4847 7.7441 116.5077 55.2991 32.5462 176.3094 137 L 4.6952 7.5740 121.1341 53.3647 44.4493 176.4846 138 G 3.7549 8.5784 113.9907 46.1194 0.0000 172.1528 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 T 8.16 4.23 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 1.20 0.00 0.00 2 R 8.28 4.24 0.00 1.75 1.78 0.00 3.16 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 3 T 7.91 4.57 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 1.19 0.00 0.00 4 Y 8.27 5.29 0.00 2.87 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 5 D 9.23 4.74 0.00 2.94 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 6 R 8.86 4.25 0.00 2.01 2.10 0.00 3.26 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 7 E 8.44 4.58 0.00 2.39 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 0.00 2.27 2.36 0.00 8 G 8.05 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 9 F 7.85 4.58 0.00 3.25 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 K 9.32 4.63 0.00 2.18 1.90 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 0.97 7.81 11 K 8.79 4.95 0.00 1.76 1.79 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.58 7.81 12 R 8.92 5.32 0.00 1.79 1.93 0.00 2.99 0.00 0.00 2.94 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 13 A 9.16 5.36 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 14 A 9.62 5.10 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 15 C 8.06 5.90 0.00 2.86 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 16 L 8.57 3.88 0.00 1.49 1.15 1.06 1.02 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 17 C 8.24 4.79 0.00 2.63 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 9.81 6.30 0.00 2.99 2.98 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 19 R 8.84 4.06 0.00 1.33 0.66 0.00 2.25 0.00 0.00 2.82 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.00 20 S 7.67 4.54 0.00 3.78 3.66 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 0.00 0.00 0.00 0.00 21 E 8.67 4.19 0.00 2.09 2.03 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 2.26 2.31 0.00 22 Q 7.65 4.32 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.35 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 23 E 7.45 2.77 0.00 1.59 1.12 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 1.92 2.10 0.00 24 D 8.05 4.91 0.00 2.60 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 0.00 25 E 8.45 5.18 0.00 1.93 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 2.37 2.35 0.00 26 V 8.82 5.19 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 0.11 0.00 0.00 1.01 0.00 0.00 27 L 7.90 4.42 0.00 0.34 1.04 -0.25 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.22 4.75 0.00 1.19 1.47 -0.15 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.38 5.44 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 0.77 0.00 0.00 1.00 0.00 0.00 30 S 8.69 4.31 0.00 3.57 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 S 8.65 4.13 0.00 3.92 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 32 S 8.87 4.14 0.00 3.84 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 33 R 7.72 4.20 0.00 1.43 1.78 0.00 2.74 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.00 34 Y 7.02 4.70 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 35 P 0.00 4.13 0.00 2.08 2.13 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 36 D 7.94 4.31 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.33 4.43 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 38 W 8.51 5.43 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 9.07 4.69 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.82 0.91 0.00 0.00 40 V 8.49 4.06 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 0.55 0.00 0.00 0.87 0.00 0.00 41 P 0.00 4.35 0.00 2.08 2.15 0.00 3.71 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 2.14 1.88 0.00 42 G 8.32 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 43 G 7.00 4.52 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 0.00 44 G 8.54 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 45 M 8.53 4.31 0.00 1.86 1.99 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 46 E 9.55 3.93 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 47 P 0.00 3.50 0.00 2.05 1.89 0.00 3.59 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 2.00 2.12 0.00 48 E 7.80 4.60 0.00 1.99 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 2.14 2.23 0.00 49 E 8.23 4.61 0.00 1.96 1.79 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 2.15 2.18 0.00 50 E 8.41 4.16 0.00 1.97 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 2.34 2.31 0.00 51 P 0.00 4.28 0.00 2.27 1.50 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.19 0.00 52 G 8.18 3.44 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 53 G 7.78 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.43 3.94 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 55 A 8.86 3.97 1.50 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 56 V 7.60 3.48 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.86 0.00 0.00 57 R 8.23 3.87 0.00 1.88 1.85 0.00 3.21 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 58 E 8.44 3.93 0.00 2.26 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 2.59 2.68 0.00 59 V 7.96 3.55 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.00 0.00 0.00 60 Y 7.90 4.41 0.00 3.00 2.94 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 61 E 8.18 4.03 0.00 2.13 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 2.39 2.67 0.00 62 E 9.22 3.97 0.00 2.08 1.79 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 2.35 2.37 0.00 63 A 8.31 3.92 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 64 G 7.88 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 65 V 7.07 5.01 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 0.89 0.00 0.00 66 K 9.13 4.85 0.00 1.78 1.62 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.62 7.81 67 G 8.35 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 0.00 0.00 0.00 0.00 68 K 8.87 4.44 0.00 1.90 1.78 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.40 7.81 69 L 8.52 3.99 0.00 1.56 1.67 0.90 0.36 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 70 G 8.24 4.37 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 0.00 71 R 8.65 4.60 0.00 2.00 2.17 0.00 3.00 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 72 L 8.51 4.71 0.00 1.71 1.65 0.20 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.19 4.38 0.00 1.92 1.81 1.08 0.64 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 74 G 7.57 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 0.00 0.00 0.00 75 I 7.53 4.30 0.87 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.71 0.50 0.00 0.00 76 F 8.83 4.82 0.00 3.01 3.05 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 77 E 8.77 5.12 0.00 1.91 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.25 0.00 78 N 8.85 4.81 0.00 2.92 2.93 0.00 0.00 7.45 6.41 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 79 Q 9.00 4.04 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.88 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 80 D 7.88 4.34 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 3.62 0.00 1.99 1.95 0.00 3.29 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 82 K 7.74 5.30 0.00 2.04 2.22 0.00 1.43 0.00 0.00 1.56 0.00 0.00 2.35 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.19 7.81 83 H 8.70 5.60 0.00 3.22 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.26 4.85 0.00 1.69 1.67 0.00 2.80 0.00 0.00 2.64 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.69 0.00 85 T 8.63 4.94 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 1.39 0.00 0.00 86 Y 9.34 4.16 0.00 2.94 2.66 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 0.00 0.00 0.00 0.00 87 V 8.00 4.65 1.86 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 0.59 0.00 0.00 -0.10 0.00 0.00 88 Y 8.99 5.24 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.91 4.47 2.38 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 1.05 0.00 0.00 1.15 0.00 0.00 90 L 9.03 4.98 0.00 1.76 1.53 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 91 T 8.36 5.11 4.39 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 1.36 0.00 0.00 92 V 9.15 4.07 2.52 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 0.94 0.00 0.00 1.14 0.00 0.00 93 T 8.87 4.68 4.29 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 1.33 0.00 0.00 94 E 7.95 4.69 0.00 2.07 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 2.24 2.26 0.00 95 I 8.58 4.61 1.92 0.00 0.00 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 1.42 1.13 1.04 0.00 0.00 96 L 8.15 4.22 0.00 1.56 1.67 0.87 0.04 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 97 E 8.81 4.72 0.00 2.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 98 D 8.73 4.60 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 99 W 7.83 4.87 0.00 3.31 2.87 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 *106 G 7.60 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 0.00 107 R 8.12 4.09 0.00 1.76 1.84 0.00 3.22 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 108 K 8.63 4.82 0.00 2.03 1.96 0.00 1.32 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.91 1.25 7.81 109 R 8.73 5.87 0.00 1.72 1.95 0.00 2.59 0.00 0.00 4.01 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 110 E 8.41 4.64 0.00 1.91 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 1.54 1.78 0.00 111 W 8.58 4.83 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.22 4.68 0.00 2.82 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 0.00 113 K 8.93 4.47 0.00 1.76 1.79 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.44 7.81 114 V 9.53 3.57 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 1.02 0.00 0.00 1.29 0.00 0.00 115 E 8.25 4.07 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 116 D 8.30 4.25 0.00 2.80 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 0.00 117 A 7.99 3.99 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 0.00 118 I 7.84 3.48 2.03 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 1.63 1.31 0.92 0.00 0.00 119 K 7.60 3.94 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.65 7.81 120 V 7.23 3.81 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 1.15 0.00 0.00 121 L 7.31 4.45 0.00 1.86 1.64 0.86 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.87 3.93 0.00 2.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 123 C 7.79 4.09 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 H 7.79 4.63 0.00 3.11 3.24 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.74 4.58 0.00 1.71 1.31 0.00 1.33 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.25 1.32 7.81 126 P 0.00 4.47 0.00 2.23 2.37 0.00 3.80 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.88 0.00 127 V 7.56 4.08 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 0.85 0.00 0.00 1.14 0.00 0.00 128 H 7.74 2.58 0.00 3.03 2.90 0.00 5.63 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 0.00 129 A 7.16 4.09 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 0.00 130 E 7.82 4.12 0.00 2.20 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 0.00 2.54 2.45 0.00 131 Y 7.43 3.32 0.00 2.82 2.52 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 0.00 132 L 7.86 4.08 0.00 1.69 1.78 0.88 0.84 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 0.00 133 E 7.77 3.97 0.00 2.32 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 2.36 2.43 0.00 134 K 8.20 4.24 0.00 2.08 2.36 0.00 1.59 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.96 1.59 7.81 135 L 7.93 4.23 0.00 1.91 1.97 1.22 0.43 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 0.00 136 K 7.74 4.48 0.00 1.95 1.84 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.52 1.77 7.81 137 L 7.57 4.70 0.00 1.59 1.83 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.58 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 * Residues marked with a * may have inaccurate shift predictions.