NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.7300 8.4201 119.2004 53.5651 39.4690 173.0126 11 A 4.7975 8.8111 128.8787 49.8823 21.5683 173.8009 12 A 4.9651 8.9281 122.9378 50.1251 22.2388 174.4475 13 E 4.5829 8.8516 121.7213 55.9426 30.8929 175.7459 14 V 4.4374 7.8285 124.8949 60.7476 34.0876 174.8378 15 N 4.4709 8.6552 126.2364 53.5102 39.3496 175.5589 16 L 4.1461 8.5310 126.1373 57.4763 41.7470 179.0305 17 D 4.3456 8.1128 118.7835 57.2807 40.8651 178.3781 18 E 3.9655 8.4860 119.0726 59.3601 29.4648 179.2064 19 L 3.9392 8.0389 120.1204 58.0709 42.1654 178.6112 20 A 3.9444 8.3261 121.1255 55.3403 17.9941 179.4444 21 Q 3.8835 7.6446 117.2135 59.1362 29.2152 177.8167 22 E 4.0581 7.8039 119.1188 59.3370 30.0844 178.3618 23 L 4.3116 8.7086 117.9004 55.5794 41.6879 178.9379 24 G 3.8879 7.7684 106.2033 47.7801 0.0000 173.7631 25 P 4.4001 0.0000 0.0000 63.4368 32.7106 177.0223 26 I 4.1127 7.5521 113.1546 58.9893 36.6892 175.2420 *28 G 3.7336 7.4287 112.0424 45.7331 0.0000 171.8098 29 D 4.3652 8.7859 121.1056 56.5723 40.9462 177.4225 30 N 4.8452 8.0456 113.7596 52.2499 37.6299 173.6455 31 E 4.7703 7.7922 118.9177 55.2300 31.5644 175.0425 32 Q 4.6884 9.4700 122.8668 53.9493 33.4101 174.4516 33 L 4.4974 8.6040 121.8469 54.9726 42.0379 176.2507 34 A 4.6677 8.8239 124.8878 53.2692 21.1700 176.7688 35 L 4.4262 7.7954 113.1007 54.5118 45.6656 173.4942 36 A 5.2770 7.8860 125.1115 51.0872 22.6744 174.5633 37 Y 5.2957 9.0514 118.7430 56.1668 41.7258 175.1227 38 R 4.9574 9.3827 123.0823 54.5772 33.6618 174.4315 39 V 4.4628 8.5078 125.2772 62.2630 34.5670 176.7307 40 I 3.2272 8.9467 130.4149 62.8358 35.9059 174.8942 41 R 4.4949 9.0665 125.7815 56.7770 31.2971 175.6780 42 D 4.8664 7.8446 118.8440 52.6325 42.8243 174.2461 *44 F 4.5362 8.3236 121.4122 58.8148 40.7722 174.3858 45 V 4.6892 7.9865 126.8815 61.1324 33.9218 174.1240 46 F 4.9712 9.8585 127.9762 56.4652 40.5915 175.6676 47 T 4.9077 8.5754 115.2348 59.6304 71.0611 174.2764 48 N 3.1400 8.5916 117.7764 53.6570 37.5630 175.7944 49 K 4.5646 8.1166 118.4315 56.8538 34.6484 175.4695 50 R 3.8002 7.0421 112.8895 54.8665 32.6508 173.9003 51 L 4.3145 7.8283 120.1934 54.0548 43.4319 176.1389 52 I 4.7035 8.2872 123.8359 59.5181 40.1005 174.5287 53 L 4.6293 8.8928 128.5348 53.3660 43.2121 175.7239 54 I 4.6155 8.2087 125.4470 59.4316 39.5979 174.1454 55 D 5.0529 8.8614 127.4897 52.2807 43.6905 174.5608 56 K 5.0385 9.0981 125.7514 54.2625 35.4261 176.2391 57 Q 3.9077 8.3621 122.2614 56.6560 28.9859 175.9354 58 G 4.0166 8.6434 115.7540 46.1750 0.0000 173.1087 59 V 4.0945 8.3360 111.9531 62.5059 32.6071 176.4505 60 T 4.5321 7.7073 109.5177 60.6436 68.0703 173.5286 61 G 4.2031 8.2508 112.1167 46.6450 0.0000 175.4173 62 K 4.2652 8.6749 127.0222 56.8554 32.5003 174.1244 63 K 4.5432 7.4635 117.8638 57.1328 33.8566 176.8672 64 V 4.7943 8.1907 120.8056 60.2202 34.7955 173.9759 65 S 4.6758 8.9021 117.5506 56.8078 65.2140 172.2808 66 Y 4.7725 8.8520 124.7896 56.6988 39.1728 173.9587 67 H 4.7642 9.2989 125.8639 54.6848 31.5522 173.6114 68 S 4.9738 8.7006 122.5070 57.3315 64.3192 174.2138 69 V 4.1864 8.6114 125.4276 59.9819 33.0586 173.0204 70 P 4.5406 0.0000 0.0000 62.3855 32.2085 177.6119 71 Y 4.2032 8.1769 119.5315 61.0306 38.0098 178.7106 72 K 3.8696 8.3775 119.5572 59.1997 32.4221 176.9569 73 A 4.2360 8.1513 120.2215 52.9614 18.9115 176.7688 74 I 4.7844 7.7210 117.6806 60.7914 36.5164 175.6632 75 T 4.5115 8.8496 117.8155 64.2816 69.8596 174.4836 76 H 5.0317 8.3757 115.3675 55.1153 31.5300 172.5513 77 F 5.8218 8.1814 112.8773 56.3583 40.8404 172.9511 78 E 4.8422 9.7757 120.3530 54.8787 33.4419 173.7536 79 V 4.9441 8.6266 125.9564 61.0866 33.9575 173.9150 80 E 4.7774 9.0754 128.6524 54.6813 32.2492 174.4790 81 T 4.9971 8.3836 122.3345 61.6503 70.7572 174.3773 82 A 4.0650 8.7584 129.0355 54.9510 18.5960 177.4281 83 G 4.1603 7.6255 101.5344 44.7239 0.0000 172.7460 84 T 3.7823 8.3918 115.0498 65.8513 68.3643 175.9772 85 F 4.7685 7.6519 116.5448 57.4223 41.1156 175.1751 86 D 4.6218 7.7340 120.1217 53.0844 42.6766 174.0538 *88 D 4.7537 8.1619 119.7746 54.4121 42.5539 174.7031 89 A 5.1254 8.3003 121.6014 50.8741 23.5817 174.8612 90 E 4.9351 9.1468 118.7394 54.4299 33.2962 174.8394 91 L 5.0652 8.9273 126.9729 53.6822 44.0989 175.0639 92 K 4.9127 9.2226 125.8174 54.4572 35.2153 175.0100 93 L 5.0869 8.5534 124.3713 52.7812 45.0718 175.4303 94 W 4.8151 9.3630 124.6663 55.6263 30.9452 175.3722 95 I 4.8878 8.3319 125.5296 59.2386 38.9777 175.2501 96 S 4.2204 8.9985 121.9539 60.3537 62.4264 174.8164 97 G 3.9730 9.1220 115.3807 45.4186 0.0000 172.6684 98 Q 4.5578 7.8493 119.2317 53.7969 30.0062 175.4934 99 K 4.1649 8.9280 124.9211 59.3284 32.5527 176.6925 100 D 4.7715 7.8401 117.3605 52.6050 41.8606 174.4475 101 P 4.1794 0.0000 0.0000 62.1184 32.4907 175.5360 102 L 4.0592 8.4793 124.3978 54.9757 43.2355 175.5804 103 V 4.6113 8.2873 126.0169 61.0787 33.6309 174.4395 104 K 4.4775 8.8508 128.1897 54.3957 34.5490 175.4654 105 E 4.2930 8.7187 125.1730 56.1837 30.4621 176.6588 106 L 4.3485 9.3465 125.4406 53.1743 42.9641 175.2366 107 K 4.8962 7.8395 128.2426 54.7436 34.4925 175.7492 108 K 4.0004 8.5007 120.7278 59.3932 32.4034 177.5869 109 G 4.4484 9.3011 111.2113 46.4520 0.0000 173.6776 110 T 3.7525 7.0791 109.0144 60.7571 70.0430 175.0854 111 D 4.6753 8.4619 123.7861 52.8641 41.4259 177.2872 112 V 3.5627 8.0008 126.7904 65.5877 31.7362 177.5085 113 V 3.6768 7.8384 117.6992 66.1475 31.3489 178.1207 114 G 3.6120 8.3429 105.3370 47.6922 0.0000 175.6837 115 I 3.3928 7.8505 122.0337 64.3270 37.1362 178.5722 116 Q 3.9968 7.9522 118.4932 58.6854 28.4995 178.6665 117 K 3.8509 8.3770 121.0878 59.7225 32.2368 178.8871 118 T 3.5887 7.9404 116.1329 66.6919 68.2996 176.5709 119 I 3.5921 7.8103 121.4020 64.2541 36.6815 178.3526 120 A 4.0061 7.9846 121.4734 55.2850 18.0193 179.3350 121 N 4.0408 8.0154 114.0259 56.0372 38.6348 176.8703 122 F 4.7400 7.4056 116.4690 57.6992 39.7969 176.7915 123 S 4.6050 8.0033 112.0372 58.4797 64.1941 174.2385 124 L 4.3279 7.4055 124.2871 54.8365 41.4787 176.1194 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 10 N 8.42 4.73 0.00 2.69 2.84 0.00 0.00 6.87 7.08 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 11 A 8.81 4.80 1.17 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 0.00 0.00 12 A 8.93 4.97 1.29 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 0.00 0.00 0.00 13 E 8.85 4.58 0.00 2.08 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 0.00 2.11 2.06 0.00 14 V 7.83 4.44 2.15 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 0.80 0.00 0.00 0.97 0.00 0.00 15 N 8.66 4.47 0.00 2.76 2.69 0.00 0.00 7.24 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 16 L 8.53 4.15 0.00 1.73 1.69 1.01 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.11 4.35 0.00 2.82 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 18 E 8.49 3.97 0.00 2.19 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 2.48 0.00 19 L 8.04 3.94 0.00 1.89 1.66 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.33 3.94 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 21 Q 7.64 3.88 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 22 E 7.80 4.06 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 23 L 8.71 4.31 0.00 1.67 1.65 0.94 1.19 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 24 G 7.77 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 0.00 0.00 0.00 25 P 0.00 4.40 0.00 1.96 2.08 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 26 I 7.55 4.11 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.72 0.00 0.00 *28 G 7.43 3.73 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 0.00 0.00 0.00 29 D 8.79 4.37 0.00 2.66 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 30 N 8.05 4.85 0.00 2.80 2.87 0.00 0.00 5.86 7.66 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 31 E 7.79 4.77 0.00 1.93 1.96 0.00 0.00 0.00 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 2.31 0.00 32 Q 9.47 4.69 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 33 L 8.60 4.50 0.00 1.53 1.60 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.82 4.67 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 35 L 7.80 4.43 0.00 1.70 1.47 0.74 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.89 5.28 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 9.05 5.30 0.00 3.02 2.86 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 38 R 9.38 4.96 0.00 1.86 1.79 0.00 3.06 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 39 V 8.51 4.46 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 0.92 0.00 0.00 0.99 0.00 0.00 40 I 8.95 3.23 1.87 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 1.41 0.81 0.91 0.00 0.00 41 R 9.07 4.49 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 42 D 7.84 4.87 0.00 2.95 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 *44 F 8.32 4.54 0.00 3.18 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 45 V 7.99 4.69 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 0.95 0.00 0.00 0.91 0.00 0.00 46 F 9.86 4.97 0.00 3.18 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.58 4.91 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 1.21 0.00 0.00 48 N 8.59 3.14 0.00 2.32 2.53 0.00 0.00 6.82 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 49 K 8.12 4.56 0.00 1.83 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.44 7.81 50 R 7.04 3.80 0.00 1.58 1.76 0.00 2.83 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.41 0.00 51 L 7.83 4.31 0.00 1.16 0.84 0.73 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.29 4.70 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.68 0.96 0.00 0.00 53 L 8.89 4.63 0.00 1.47 1.56 0.78 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.21 4.62 1.75 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.69 0.37 0.00 0.00 55 D 8.86 5.05 0.00 2.69 2.41 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 56 K 9.10 5.04 0.00 1.58 1.62 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.39 7.81 57 Q 8.36 3.91 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.50 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 58 G 8.64 4.02 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 0.00 0.00 0.00 59 V 8.34 4.09 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 0.72 0.00 0.00 0.93 0.00 0.00 60 T 7.71 4.53 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 61 G 8.25 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.67 4.27 0.00 1.79 1.74 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.00 7.81 63 K 7.46 4.54 0.00 1.97 1.96 0.00 1.23 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.37 7.81 64 V 8.19 4.79 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 0.87 0.00 0.00 0.46 0.00 0.00 65 S 8.90 4.68 0.00 3.83 3.63 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 66 Y 8.85 4.77 0.00 2.79 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 67 H 9.30 4.76 0.00 3.14 3.09 0.00 5.59 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.70 4.97 0.00 3.76 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 69 V 8.61 4.19 1.85 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 0.99 0.00 0.00 0.71 0.00 0.00 70 P 0.00 4.54 0.00 2.21 1.92 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 71 Y 8.18 4.20 0.00 3.07 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 72 K 8.38 3.87 0.00 2.05 1.93 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.03 7.81 73 A 8.15 4.24 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 74 I 7.72 4.78 2.19 0.00 0.00 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 1.45 0.67 1.17 0.00 0.00 75 T 8.85 4.51 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 76 H 8.38 5.03 0.00 3.06 3.27 0.00 5.49 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.18 5.82 0.00 3.30 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.78 4.84 0.00 2.35 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 0.00 2.32 2.36 0.00 79 V 8.63 4.94 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.06 0.00 0.00 80 E 9.08 4.78 0.00 2.10 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 2.19 2.26 0.00 81 T 8.38 5.00 4.22 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 1.29 0.00 0.00 82 A 8.76 4.06 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 83 G 7.63 4.16 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 0.00 0.00 0.00 84 T 8.39 3.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 85 F 7.65 4.77 0.00 3.07 3.06 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 0.00 0.00 0.00 86 D 7.73 4.62 0.00 2.72 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *88 D 8.16 4.75 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.30 5.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.15 4.94 0.00 1.86 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 2.16 2.18 0.00 91 L 8.93 5.07 0.00 1.73 1.46 1.12 0.51 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 92 K 9.22 4.91 0.00 1.50 0.74 0.00 1.86 0.00 0.00 1.39 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.12 1.29 7.81 93 L 8.55 5.09 0.00 1.53 1.61 1.11 1.10 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 94 W 9.36 4.82 0.00 3.38 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 95 I 8.33 4.89 1.92 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 1.24 0.98 0.94 0.00 0.00 96 S 9.00 4.22 0.00 3.84 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 97 G 9.12 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 98 Q 7.85 4.56 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 99 K 8.93 4.16 0.00 1.77 1.89 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.55 7.81 100 D 7.84 4.77 0.00 2.70 2.54 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 0.00 101 P 0.00 4.18 0.00 1.07 0.49 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 0.00 102 L 8.48 4.06 0.00 1.72 1.64 0.90 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.29 4.61 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 0.79 0.00 0.00 0.83 0.00 0.00 104 K 8.85 4.48 0.00 1.38 1.31 0.00 1.29 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.16 0.82 7.81 105 E 8.72 4.29 0.00 1.77 1.82 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 2.26 2.27 0.00 106 L 9.35 4.35 0.00 1.54 1.49 0.88 0.59 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 0.00 107 K 7.84 4.90 0.00 1.72 1.60 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.35 7.81 108 K 8.50 4.00 0.00 1.89 1.75 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.03 7.81 109 G 9.30 4.45 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 0.00 110 T 7.08 3.75 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 111 D 8.46 4.68 0.00 2.92 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 0.00 112 V 8.00 3.56 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 1.02 0.00 0.00 0.89 0.00 0.00 113 V 7.84 3.68 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 1.05 0.00 0.00 0.93 0.00 0.00 114 G 8.34 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 0.00 115 I 7.85 3.39 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.71 1.04 0.00 0.00 116 Q 7.95 4.00 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 117 K 8.38 3.85 0.00 1.85 1.91 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.40 7.81 118 T 7.94 3.59 4.05 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 1.37 0.00 0.00 119 I 7.81 3.59 1.62 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.01 -0.05 0.00 0.00 120 A 7.98 4.01 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 0.00 121 N 8.02 4.04 0.00 2.20 1.83 0.00 0.00 7.04 7.16 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 0.00 122 F 7.41 4.74 0.00 1.98 2.25 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 0.00 123 S 8.00 4.61 0.00 4.08 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 0.00 124 L 7.41 4.33 0.00 1.83 1.66 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.