NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4915 8.0393 114.0230 61.4307 33.4170 174.2851 2 R 4.4794 8.7733 118.6657 54.2323 32.9981 172.7996 3 I 4.8644 8.4603 123.6407 60.3689 38.6566 175.4799 4 R 4.9471 8.3782 128.3510 54.7363 32.6490 175.2536 5 R 4.0895 8.4450 117.8446 55.4156 31.4005 176.5354 6 A 4.2588 8.0933 125.6265 50.9241 17.7533 177.9217 7 G 3.8741 8.9385 112.8281 44.8215 0.0000 174.2918 8 L 4.2073 8.3405 122.0492 57.7164 42.3090 178.0383 9 E 4.2466 8.0516 114.5127 56.7177 29.4732 177.2503 10 D 4.7714 7.8661 121.1469 55.3381 42.5438 177.8759 11 L 3.8122 7.0693 118.3156 58.0885 41.7190 177.1649 12 P 4.4576 0.0000 0.0000 65.4390 30.8570 178.4300 13 G 3.8645 8.0339 104.5595 47.3442 0.0000 175.0065 14 V 3.7062 7.2147 119.9150 65.3491 31.4512 177.6393 15 A 4.0593 8.4863 121.1793 54.2785 18.1809 178.7564 16 R 4.3790 7.8481 113.1466 57.0921 30.9184 178.6291 17 V 3.7312 7.3970 118.0421 65.6142 31.4451 177.2008 18 L 4.0382 8.0724 120.6122 57.4017 42.0594 178.2660 19 V 3.4463 7.4036 116.5522 66.7583 31.4168 177.4381 20 D 4.3950 7.9384 117.1792 58.3332 40.6064 179.1757 21 T 4.1582 7.6754 114.4328 66.8346 68.7995 176.1119 22 W 4.3531 9.0055 130.5386 60.3783 30.3856 178.4857 23 R 4.0800 8.4274 117.9283 59.2730 29.5024 178.5820 24 A 4.2186 8.5078 118.0979 54.1530 18.3135 177.7135 25 T 4.1840 7.2675 110.9512 64.7581 70.6761 175.7343 26 Y 4.4549 7.9352 117.0219 57.3581 39.1038 175.2508 27 R 4.3738 7.6227 120.2473 57.1984 30.9882 175.8132 28 G 4.1265 9.0807 113.0626 45.5983 0.0000 174.8469 29 V 3.8566 7.7271 117.8986 64.7595 32.0451 175.8829 30 V 4.4522 7.6357 117.9040 59.8822 33.3532 173.3434 31 P 4.3401 0.0000 0.0000 63.2294 32.0809 177.0569 32 E 4.1241 9.0065 121.7372 59.3287 29.3972 178.9124 33 A 4.0585 8.1075 119.6808 55.3227 18.4799 178.9223 34 F 4.2643 7.8342 116.7822 61.3634 39.5085 177.1133 35 L 4.1301 7.9502 118.2468 57.0242 41.3565 177.2485 36 E 4.4288 8.0235 117.7708 56.8866 30.6418 177.6457 37 G 3.8450 7.6299 107.5463 45.1491 0.0000 173.6463 38 L 3.7293 7.1969 119.7948 54.5057 41.4593 177.0262 39 S 4.4563 8.3557 119.2077 57.3729 63.7355 173.5692 40 Y 4.0812 8.9081 127.3461 61.7542 37.6760 178.6609 41 E 4.1887 8.3875 118.7806 59.2176 29.6068 179.2036 42 G 3.9312 8.1230 104.9923 48.1032 0.0000 175.1122 43 Q 4.1307 7.9626 119.2824 58.9452 27.6250 178.3374 44 A 4.1447 7.6408 120.1806 55.0994 18.4156 179.5497 45 E 4.2308 8.3636 117.4829 59.3987 29.6665 179.5909 46 R 3.7500 7.7158 117.6796 59.1064 30.1790 178.2126 47 W 4.4466 7.4109 115.3067 56.9446 29.0376 177.0145 48 A 4.5966 7.8543 123.2874 52.9879 20.4719 178.5685 49 Q 4.4446 7.5778 110.5865 56.2810 28.7499 176.4074 50 R 4.3725 7.6804 118.1160 56.6059 31.9992 175.9633 51 L 4.3349 7.8181 117.2199 57.4018 41.3579 177.9792 52 K 4.1338 7.7512 118.1527 57.5947 32.1118 176.7701 53 T 4.4920 7.0839 112.2480 59.9487 66.8171 173.7286 54 P 4.6799 0.0000 0.0000 62.0934 30.4009 176.6557 55 T 4.6527 7.8298 107.6749 60.9556 68.6217 172.6949 56 W 4.8076 8.1553 129.3633 54.9133 33.1623 173.5165 57 P 4.2627 0.0000 0.0000 64.0392 31.3807 176.2319 58 G 3.4882 8.4051 106.9354 47.1987 0.0000 174.2219 59 R 4.7557 8.6142 125.7632 53.8139 30.3653 174.9983 60 L 4.6229 8.2664 124.2090 55.0277 43.2562 175.3746 61 F 5.0890 9.6110 122.7804 55.9705 43.6856 173.9358 62 V 4.9456 8.6555 118.3667 61.5399 35.6290 173.2815 63 A 5.2842 9.2510 127.4663 50.1597 21.6406 175.2106 64 E 5.6097 9.2480 122.4023 53.5433 33.7965 175.6450 65 S 4.7352 7.9207 119.4634 56.8959 66.1272 173.7019 66 E 4.2105 9.0196 118.8771 57.6877 29.5290 176.8931 67 S 4.5378 7.8210 110.9793 57.7283 62.8018 174.3780 68 G 4.4733 7.9119 105.4028 45.3844 0.0000 171.7009 69 E 4.5043 7.1620 117.7760 55.1368 33.1310 175.8850 70 V 4.1159 7.9924 119.3964 62.3901 30.0369 175.0462 71 V 4.0321 9.1341 119.2035 58.6571 31.8010 175.9799 72 G 4.3898 6.9220 110.9406 44.7857 0.0000 171.9226 73 F 5.3927 7.8224 115.7404 55.7225 42.1003 172.5825 74 A 4.8317 9.1874 118.6792 50.4753 22.8929 175.3050 75 A 5.0005 9.1358 121.7486 50.2774 19.5283 175.7681 76 F 4.7001 9.1386 121.1623 56.4506 41.4572 174.9540 77 G 4.2146 7.9919 104.7966 45.6588 0.0000 170.4510 78 P 4.4090 0.0000 0.0000 61.8534 31.9452 175.7926 79 D 4.3340 8.8755 121.4246 55.0733 41.1532 177.8007 80 R 3.9960 8.0374 128.9029 56.7618 29.6446 177.0235 81 A 3.9171 8.0140 117.5144 53.5110 15.6417 177.7663 82 S 4.3220 9.0112 117.3765 62.3645 63.5255 174.9821 83 G 3.3030 7.9520 106.6394 45.0160 0.0000 173.7471 84 F 4.4473 8.1758 121.1301 54.4553 38.5792 171.9695 85 P 4.4528 0.0000 0.0000 64.8715 31.2725 175.2674 86 G 3.3705 8.6666 115.1121 45.4520 0.0000 172.5562 87 Y 4.2230 7.8367 118.6854 56.6890 37.1852 175.5130 88 T 4.1780 8.4667 119.5069 63.4179 67.8483 173.0157 89 A 4.7309 7.6011 119.6171 52.2894 22.9888 174.2460 90 E 5.3804 8.6423 116.2639 56.3988 33.6659 174.3892 91 L 4.7046 8.2294 121.7514 52.3145 41.1128 175.2870 92 W 4.8435 9.0821 123.2563 58.4067 29.9830 175.9957 93 A 4.6932 8.1412 117.0150 51.7516 21.9964 175.5190 94 I 4.4238 8.1929 119.9134 60.2957 41.0110 173.8236 95 Y 4.4065 8.1572 127.1828 56.3435 41.2471 175.7093 96 V 4.2254 8.1966 124.4447 61.8810 33.2139 174.6037 97 L 4.8856 8.0246 120.3861 52.1921 43.9871 175.9916 98 P 4.3791 0.0000 0.0000 66.2803 31.3571 178.7507 99 T 3.8798 8.0478 112.0159 65.3337 68.4691 175.0912 100 W 4.5013 8.8472 120.5452 56.2605 29.7157 175.8407 101 Q 4.2570 7.7011 118.4161 56.1695 28.9096 175.1996 102 R 3.8840 8.4268 114.6946 57.9375 27.0608 177.2518 103 K 4.4593 7.8844 113.1060 55.4186 34.4067 177.2997 104 G 3.9431 8.3044 107.0210 46.4205 0.0000 175.5673 105 L 4.1179 7.9294 123.4929 57.8742 42.1360 179.0972 106 G 3.6689 7.9368 104.9545 47.1586 0.0000 175.6213 107 R 4.1797 8.0735 120.6470 59.1780 30.1387 178.1909 108 A 3.9789 7.9310 120.3650 55.3271 18.4229 179.4935 109 L 3.9612 8.4690 117.7378 57.9104 41.7605 179.9039 110 F 4.2068 8.4181 120.5577 61.8143 39.4781 177.0957 111 H 4.0678 8.4469 115.8538 58.6869 28.0305 177.6971 112 E 4.0161 8.4134 120.8297 58.8377 29.2053 178.9491 113 G 2.0000 6.6638 104.2262 44.7874 0.0000 175.0574 114 A 3.5837 6.4968 121.6878 53.1477 18.6600 179.7775 115 R 3.9798 7.4167 117.2189 59.2186 30.2548 178.5788 116 L 3.9566 7.2801 119.6708 58.0414 41.9838 178.5150 117 L 4.2333 7.2755 117.7548 58.9137 41.9358 178.8715 118 Q 4.2133 8.0420 118.2234 58.9879 28.5892 177.9454 119 A 3.9055 8.6382 122.6600 56.0842 18.7735 179.6500 120 E 3.9194 8.0911 116.5859 57.7249 29.6941 178.6352 121 G 4.0903 7.9412 114.8669 46.7785 0.0000 172.8358 122 Y 4.3260 5.9986 116.3623 57.8152 38.3626 176.9136 123 G 3.9008 9.0512 113.7074 47.5044 0.0000 172.9733 124 R 4.7203 7.5067 114.3029 55.1502 31.8569 172.7196 *126 L 4.4221 8.1218 117.7961 56.3085 42.3861 175.6079 127 V 4.6167 8.2785 116.8864 60.1610 34.9334 173.4714 128 W 5.0708 8.7445 122.8280 55.0524 30.9718 175.3335 129 V 4.7745 8.9251 124.6235 60.8939 34.4847 174.5901 130 L 4.7552 8.7361 126.3185 54.5212 42.1457 177.6368 131 K 4.2387 9.3750 123.1808 59.4809 32.2645 178.5543 132 E 4.3674 8.2814 114.3620 56.5365 29.6354 176.7512 133 N 4.8415 7.9687 118.9220 50.7771 39.0623 172.7803 134 P 4.2646 0.0000 0.0000 65.1045 31.8279 177.8118 135 K 3.9894 8.0845 116.9234 59.3356 31.8494 179.2808 136 G 3.5306 8.0678 105.8101 48.1071 0.0000 176.0584 137 R 4.0924 8.3030 121.5049 58.3147 30.0453 179.6206 138 G 3.4922 8.4645 106.1560 48.0803 0.0000 174.8744 139 F 4.0555 8.2145 123.5548 61.7530 39.1136 176.6595 140 Y 3.8724 7.1913 115.4864 61.0820 37.7002 179.0741 141 E 3.7998 7.4534 119.6846 59.4857 29.3175 178.8850 142 H 4.1377 7.8362 115.3568 58.8455 28.8714 177.6388 143 L 4.1460 7.3094 119.2536 56.0545 41.3097 178.0597 144 G 3.9086 7.8276 106.9408 45.2198 0.0000 173.7837 145 G 2.9401 7.6051 106.3350 45.5847 0.0000 174.3532 146 V 4.3966 8.1700 116.4845 59.2040 34.0395 175.1853 147 L 3.5592 8.2117 126.5167 55.2723 42.1812 175.1377 148 L 4.1932 7.8024 125.3542 55.1602 43.2181 176.7379 149 G 4.3543 6.5849 102.8811 46.2667 0.0000 169.7744 150 E 6.3000 8.9924 117.3334 55.3728 33.0570 174.6261 151 R 4.7467 8.5655 114.0038 56.5833 31.7058 172.6422 152 E 4.2751 8.9083 121.3902 54.6124 31.4860 174.5356 153 I 4.6478 8.5080 118.3280 59.2849 41.9681 173.3057 154 E 4.9674 8.4333 120.5100 54.4967 32.1072 177.5676 155 L 4.0062 8.1838 122.6989 54.0622 43.7553 174.8333 156 G 3.6109 8.2993 110.6626 46.4335 0.0000 171.3899 157 G 3.8030 8.4957 108.4663 45.9911 0.0000 170.7892 158 A 4.6063 7.3364 120.6466 49.8804 22.0385 175.6431 159 K 4.8298 8.4608 121.2237 55.0266 33.5787 176.0937 160 L 4.8281 8.3594 123.8218 52.6480 46.1833 175.3158 161 W 5.2389 8.3801 120.4486 55.0340 32.1490 174.6580 162 E 5.2900 9.9259 124.6545 54.7849 32.0353 175.4632 163 V 4.8105 9.1163 120.1398 60.0606 34.8131 174.9047 164 A 4.0510 8.0543 123.3211 50.1518 21.1790 174.7850 165 Y 4.3841 8.3891 120.6531 57.2543 39.9545 175.3835 166 G 3.9687 8.7593 110.7860 44.3945 0.0000 172.1978 167 F 5.4586 9.0437 119.7608 55.4335 43.4962 174.1164 168 D 4.8351 9.0152 118.0327 52.7407 43.1373 174.8254 169 L 4.8191 9.1598 127.9628 57.9350 41.8853 178.3684 170 G 3.8230 8.2504 106.6314 44.0988 0.0000 172.6250 171 G 3.6724 7.9919 120.3212 45.7566 0.0000 171.7965 172 H 4.3071 6.7588 114.4841 54.8340 30.5351 172.8021 173 K 4.1814 8.3476 121.1954 54.9303 32.5536 176.2550 174 W 4.4530 8.6153 125.1864 57.1339 29.0535 176.0875 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 V 8.04 4.49 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 1.11 0.00 0.00 1.01 0.00 0.00 2 R 8.77 4.48 0.00 1.83 1.98 0.00 2.74 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 3 I 8.46 4.86 1.96 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 1.48 0.58 1.11 0.00 0.00 4 R 8.38 4.95 0.00 1.83 2.05 0.00 2.73 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 5 R 8.44 4.09 0.00 1.60 1.70 0.00 2.31 0.00 0.00 2.73 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.40 0.00 6 A 8.09 4.26 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.94 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 8 L 8.34 4.21 0.00 1.67 1.65 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.05 4.25 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 2.24 2.30 0.00 10 D 7.87 4.77 0.00 3.02 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 11 L 7.07 3.81 0.00 1.64 1.75 1.09 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.46 0.00 2.13 2.03 0.00 3.59 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 2.09 2.14 0.00 13 G 8.03 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 14 V 7.21 3.71 1.87 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 -0.35 0.00 0.00 0.64 0.00 0.00 15 A 8.49 4.06 1.49 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 16 R 7.85 4.38 0.00 2.45 2.50 0.00 2.90 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 17 V 7.40 3.73 2.39 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 1.15 0.00 0.00 1.15 0.00 0.00 18 L 8.07 4.04 0.00 1.71 1.52 0.67 0.47 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 19 V 7.40 3.45 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 0.52 0.00 0.00 0.69 0.00 0.00 20 D 7.94 4.39 0.00 3.12 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 21 T 7.68 4.16 4.75 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 1.45 0.00 0.00 22 W 9.01 4.35 0.00 3.74 3.41 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 23 R 8.43 4.08 0.00 2.17 2.05 0.00 3.18 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 24 A 8.51 4.22 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 25 T 7.27 4.18 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 -0.11 0.00 0.00 26 Y 7.94 4.45 0.00 2.76 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 27 R 7.62 4.37 0.00 1.98 1.85 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 28 G 9.08 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 0.00 0.00 0.00 29 V 7.73 3.86 2.37 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 0.91 0.00 0.00 0.91 0.00 0.00 30 V 7.64 4.45 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 1.04 0.00 0.00 1.07 0.00 0.00 31 P 0.00 4.34 0.00 2.32 2.05 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 32 E 9.01 4.12 0.00 2.14 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 2.42 2.63 0.00 33 A 8.11 4.06 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 34 F 7.83 4.26 0.00 3.10 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 35 L 7.95 4.13 0.00 1.99 1.80 1.15 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.02 4.43 0.00 2.11 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 2.36 2.55 0.00 37 G 7.63 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 38 L 7.20 3.73 0.00 1.38 1.40 0.15 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.36 4.46 0.00 3.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.91 4.08 0.00 3.04 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 41 E 8.39 4.19 0.00 2.07 1.98 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 2.41 2.45 0.00 42 G 8.12 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 43 Q 7.96 4.13 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 44 A 7.64 4.14 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 45 E 8.36 4.23 0.00 2.19 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 2.31 2.47 0.00 46 R 7.72 3.75 0.00 1.89 1.48 0.00 2.96 0.00 0.00 3.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 47 W 7.41 4.45 0.00 3.30 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.85 4.60 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 49 Q 7.58 4.44 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.13 0.00 50 R 7.68 4.37 0.00 1.44 1.76 0.00 2.79 0.00 0.00 2.57 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.44 0.00 51 L 7.82 4.33 0.00 1.92 1.94 0.98 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.75 4.13 0.00 1.77 1.92 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.37 7.81 53 T 7.08 4.49 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 1.31 0.00 0.00 54 P 0.00 4.68 0.00 2.10 2.07 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 55 T 7.83 4.65 4.27 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 1.41 0.00 0.00 56 W 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 65 S 7.92 4.74 0.00 4.00 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 66 E 9.02 4.21 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 67 S 7.82 4.54 0.00 3.99 3.89 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 68 G 7.91 4.47 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 0.00 0.00 0.00 69 E 7.16 4.50 0.00 2.05 1.98 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 2.18 2.09 0.00 70 V 7.99 4.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.87 0.00 0.00 71 V 9.13 4.03 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 0.00 0.00 -0.35 0.00 0.00 0.15 0.00 0.00 72 G 6.92 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 0.00 0.00 0.00 0.00 73 F 7.82 5.39 0.00 3.33 3.07 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 74 A 9.19 4.83 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 9.14 5.00 1.45 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 0.00 0.00 76 F 9.14 4.70 0.00 3.02 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 77 G 7.99 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 78 P 0.00 4.41 0.00 2.51 2.31 0.00 4.37 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 79 D 8.88 4.33 0.00 2.81 2.74 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 80 R 8.04 4.00 0.00 1.55 1.64 0.00 2.89 0.00 0.00 2.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 81 A 8.01 3.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 9.01 4.32 0.00 4.28 4.73 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 83 G 7.95 3.30 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 84 F 8.18 4.45 0.00 3.28 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 85 P 0.00 4.45 0.00 2.09 2.09 0.00 3.70 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 2.04 2.13 0.00 86 G 8.67 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 0.00 0.00 0.00 87 Y 7.84 4.22 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 88 T 8.47 4.18 4.41 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 1.41 0.00 0.00 89 A 7.60 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.64 5.38 0.00 2.09 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 1.94 1.84 0.00 91 L 8.23 4.70 0.00 1.51 1.53 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 92 W 9.08 4.84 0.00 3.75 3.61 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 0.00 0.00 0.00 0.00 93 A 8.14 4.69 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 0.00 0.00 0.00 0.00 0.00 94 I 8.19 4.42 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.72 0.98 0.00 0.00 95 Y 8.16 4.41 0.00 2.61 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 96 V 8.20 4.23 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 0.91 0.00 0.00 0.80 0.00 0.00 97 L 8.02 4.89 0.00 2.03 1.73 1.02 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 G 9.05 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 0.00 124 R 7.51 4.72 0.00 2.40 2.25 0.00 2.37 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 *126 L 8.12 4.42 0.00 1.44 1.28 0.86 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.28 4.62 1.87 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 0.37 0.00 0.00 0.32 0.00 0.00 128 W 8.74 5.07 0.00 3.20 3.36 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 0.00 129 V 8.93 4.77 2.39 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 1.35 0.00 0.00 1.23 0.00 0.00 130 L 8.74 4.76 0.00 1.77 1.85 0.71 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 131 K 9.37 4.24 0.00 1.99 1.97 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.68 7.81 132 E 8.28 4.37 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 133 N 7.97 4.84 0.00 3.00 3.01 0.00 0.00 7.23 7.27 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 0.00 134 P 0.00 4.26 0.00 2.15 2.07 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 135 K 8.08 3.99 0.00 1.65 1.72 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 136 G 8.07 3.53 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 0.00 0.00 0.00 137 R 8.30 4.09 0.00 1.94 2.18 0.00 3.28 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 138 G 8.46 3.49 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 0.00 139 F 8.21 4.06 0.00 2.81 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 0.00 140 Y 7.19 3.87 0.00 2.23 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 0.00 141 E 7.45 3.80 0.00 2.09 1.87 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 2.36 2.30 0.00 142 H 7.84 4.14 0.00 3.18 3.27 0.00 5.86 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.31 4.15 0.00 1.77 1.65 -1.06 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.83 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.61 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 0.00 0.00 0.00 146 V 8.17 4.40 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 0.68 0.00 0.00 0.85 0.00 0.00 147 L 8.21 3.56 0.00 1.32 1.34 0.18 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.80 4.19 0.00 0.66 0.13 0.57 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 149 G 6.58 4.35 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 0.00 150 E 8.99 6.30 0.00 2.13 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 2.21 2.23 0.00 151 R 8.57 4.75 0.00 1.91 2.19 0.00 2.51 0.00 0.00 2.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.33 0.00 152 E 8.91 4.28 0.00 1.16 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 1.72 1.47 0.00 153 I 8.51 4.65 1.74 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 1.22 0.56 0.78 0.00 0.00 154 E 8.43 4.97 0.00 1.70 1.73 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 2.05 2.13 0.00 155 L 8.18 4.01 0.00 1.29 0.82 1.02 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.30 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.50 3.80 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 0.00 0.00 0.00 158 A 7.34 4.61 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.46 4.83 0.00 1.53 1.46 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.35 7.81 160 L 8.36 4.83 0.00 1.42 1.62 0.98 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 161 W 8.38 5.24 0.00 3.19 3.15 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 0.00 0.00 0.00 0.00 162 E 9.93 5.29 0.00 2.09 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 0.00 2.95 2.84 0.00 163 V 9.12 4.81 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 0.69 0.00 0.00 1.10 0.00 0.00 164 A 8.05 4.05 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 Y 8.39 4.38 0.00 2.68 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 0.00 166 G 8.76 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 0.00 167 F 9.04 5.46 0.00 3.05 3.30 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 0.00 168 D 9.02 4.84 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 9.16 4.82 0.00 2.05 2.00 0.99 1.01 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 0.00 170 G 8.25 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 0.00 171 G 7.99 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 0.00 172 H 6.76 4.31 0.00 2.99 3.10 0.00 5.72 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.35 4.18 0.00 1.70 1.73 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.48 7.81 174 W 8.62 4.45 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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.