NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6605 8.1933 115.3951 57.6861 64.6154 174.4569 2 L 4.2119 8.4047 121.3505 56.2482 41.3744 175.1265 3 V 3.7682 8.6831 120.2976 64.9167 31.7619 178.1091 4 Q 4.0875 7.8152 117.7052 58.5379 28.5303 178.2489 5 F 4.5765 8.4558 121.8587 61.5190 39.4499 176.7479 6 E 3.7714 8.4019 118.8735 59.5460 29.3592 178.9864 7 T 3.9002 7.8390 115.5428 66.6686 68.4896 176.7324 8 L 3.9486 8.3526 121.2962 57.6837 41.4973 179.6652 9 I 3.6445 7.7258 119.8503 64.6103 37.0258 178.2066 10 M 4.3661 7.8695 120.3446 57.8282 31.7678 178.5524 11 K 3.9418 7.9477 118.1148 59.3087 32.3871 179.2486 12 V 3.7297 7.8695 117.0346 65.7430 31.7845 177.0131 13 A 4.1394 8.0706 119.4154 52.2954 19.1067 177.2888 14 K 4.5356 7.5187 113.6043 57.0079 29.4485 175.4343 *16 K 4.0352 7.6330 115.2238 56.0737 33.3638 175.0329 17 S 4.6329 7.6273 114.8962 57.4227 63.4364 175.1603 18 G 3.6891 8.9532 116.8523 48.1496 0.0000 175.1795 19 M 4.1706 8.0589 119.5286 58.5236 32.3492 177.7283 20 Q 4.2398 8.1578 118.4173 57.8738 29.4452 176.8454 21 W 4.7095 8.4977 117.6651 56.5868 30.5558 176.1274 22 Y 4.9291 8.2620 114.7065 57.5741 38.2746 176.3031 23 S 4.5794 8.4848 115.1549 59.6006 64.6350 173.7753 24 N 4.8103 6.9045 118.2067 53.0687 39.7890 172.4816 25 Y 4.6431 8.0974 121.5676 56.4252 42.1583 175.7655 26 G 3.6863 8.2023 116.7476 46.2927 0.0000 172.7226 27 C 4.4062 8.9391 114.4281 58.5595 40.8395 174.5233 28 Y 4.2151 8.6221 115.0563 57.8969 39.6453 175.2213 29 C 4.5688 8.4390 117.9701 59.5469 39.3939 173.2777 30 G 4.3678 8.5286 110.8482 43.4010 0.0000 171.1242 31 W 3.9392 8.5748 130.7124 58.1640 31.3805 177.6592 32 G 3.8489 7.8069 114.3575 47.2822 0.0000 172.7080 33 G 3.9291 7.9397 110.7172 45.6572 0.0000 171.2371 34 Q 4.4652 7.3048 116.1856 56.1816 31.4475 175.7509 35 G 3.8278 8.8936 107.0329 45.0929 0.0000 172.5860 36 R 4.6000 8.2694 117.7625 54.0766 31.5505 174.5936 37 P 4.6470 0.0000 0.0000 62.8513 31.8528 176.8602 38 Q 4.0654 9.6655 123.5125 58.3141 29.1595 175.2140 39 D 4.4741 7.2436 114.5934 51.2275 42.1613 174.8029 40 A 3.9797 8.8758 119.6623 56.2147 18.1552 179.9123 41 T 3.9744 7.9590 113.5102 66.9526 68.5850 176.1422 42 D 4.5055 8.9132 120.3268 57.5149 41.1485 178.3550 43 R 3.9725 8.3565 119.2528 59.3167 29.9976 177.8174 44 C 4.2063 8.1499 116.6861 60.2490 40.5389 175.4653 45 C 4.3750 8.2840 117.8071 59.7547 40.6241 175.8119 46 F 3.8134 8.3129 122.3803 61.3239 38.8885 177.3589 47 V 3.2342 8.0030 118.0026 66.0873 31.2785 177.4218 48 H 3.8145 7.9500 117.9783 59.1482 29.6597 176.9895 49 D 4.0661 8.0580 120.8630 57.4872 40.4099 178.1582 50 C 4.0589 7.4862 115.7659 59.8714 34.6090 174.9760 51 C 4.2398 8.2335 120.4342 60.0077 38.5940 175.3259 52 Y 4.1591 7.9375 118.3722 61.0183 37.1954 178.7860 53 G 3.7307 8.0938 107.9189 47.3726 0.0000 175.4487 54 K 4.4627 7.3543 123.2200 55.5867 32.3472 181.5655 55 V 3.9853 7.0712 119.5191 63.3843 32.0920 175.2650 56 T 4.4245 8.2457 117.0178 59.8568 71.0797 174.8526 *59 G 4.2766 8.8251 113.1626 45.4255 0.0000 170.9172 *61 C 4.7764 7.6085 113.0182 55.2327 42.9460 171.9631 *67 D 4.7523 8.0620 116.5876 53.4821 40.6495 173.8624 68 P 3.8916 0.0000 0.0000 65.0222 31.8517 178.1149 69 K 4.2773 8.5769 119.6152 58.7812 32.3337 178.0791 70 M 4.5123 7.5796 114.6147 55.7336 33.7887 176.3710 71 D 4.4656 8.1711 119.0471 54.0222 41.5114 175.6763 72 V 4.1956 8.2158 123.1480 61.4117 32.7213 174.6537 73 Y 4.9092 7.9508 125.0997 55.1875 40.6254 174.6097 74 S 5.1509 8.5217 114.2633 56.8360 66.0059 172.8548 75 F 5.5779 8.1127 115.6079 56.1161 41.0805 172.6406 76 S 4.7731 9.4791 113.7124 56.9899 67.2151 172.3573 77 E 5.4789 8.8232 121.3881 54.5491 31.5458 176.4296 78 E 4.6936 8.5806 119.2101 55.4269 33.8052 170.8354 79 N 4.3226 9.8127 115.6882 54.1841 36.3977 174.3659 80 G 3.8165 8.6678 102.2327 46.3330 0.0000 173.1962 81 D 4.6252 7.9455 116.8509 52.7638 44.8896 172.9763 82 I 4.6542 8.1392 121.9257 59.7534 38.4923 175.7018 83 V 4.2900 9.0989 128.4590 61.2139 33.1442 174.0862 84 C 4.7870 8.8799 126.4862 56.7544 40.5259 173.3339 85 G 3.7705 9.2968 114.0165 47.7239 0.0000 172.3622 86 G 3.9704 8.8810 109.4704 45.3233 0.0000 173.1142 *88 D 4.8584 8.0978 114.9677 52.5409 40.9827 175.2116 89 D 4.7930 7.6318 120.0843 52.0839 42.9213 174.3645 90 P 4.2713 0.0000 0.0000 66.0515 31.0998 178.9075 91 C 4.2461 8.4837 118.2801 59.5478 42.4807 175.7480 92 K 3.9305 8.2468 119.6342 59.1997 31.6735 179.1373 93 K 3.9423 8.1297 120.1972 59.2845 32.1050 178.5361 94 E 3.8690 7.9589 119.4005 59.0668 29.4901 178.9161 95 I 3.5811 7.4010 119.7563 64.4040 37.1690 177.4569 96 C 2.9169 7.6845 119.2344 59.3434 44.0243 175.5003 97 E 3.7901 8.0821 120.0728 59.3791 29.0963 178.6832 98 C 4.1408 7.9430 116.4255 60.1746 41.5158 175.9843 99 D 3.9641 7.8842 120.3519 57.0687 40.4090 178.7262 100 R 3.7614 8.2450 119.3954 59.4712 30.1040 178.3064 101 A 3.8804 8.0557 120.3578 55.1685 18.2221 179.5115 102 A 3.4473 7.7725 118.5005 54.8767 18.3940 179.6888 103 A 3.8715 8.0261 119.3084 55.4178 18.4564 179.9800 104 I 3.6055 7.6410 118.2804 64.5249 36.9168 177.8039 105 C 4.1638 7.7981 118.3096 59.6582 39.3233 175.3658 106 F 4.5285 7.7899 119.5230 60.5571 37.9135 177.5912 107 R 3.9398 8.0376 118.2913 59.6739 29.7591 178.2162 108 D 4.6103 8.4667 116.8623 55.9942 41.1015 176.7882 109 N 5.8487 7.4918 116.1149 52.1701 39.3130 176.5750 110 L 4.3008 7.8037 121.2344 57.5308 42.1059 179.2657 111 N 4.4409 8.4875 116.3732 55.2392 37.1585 176.0612 112 T 4.5373 7.7280 105.7170 60.8478 69.5208 173.6463 113 Y 4.1848 7.7796 124.0274 58.6459 39.2444 176.0397 114 N 4.9692 9.1171 125.5768 51.5700 39.6951 173.9898 115 D 4.4397 8.3123 123.6818 55.5402 40.1909 179.6835 116 K 3.8621 8.0898 118.4600 58.6563 32.2732 177.5871 117 K 3.9815 7.7215 118.3611 57.6124 32.7283 176.5939 118 Y 4.2287 7.2091 114.3752 57.1795 38.6594 175.2610 119 W 4.1556 8.1600 131.1157 58.1278 31.7297 175.6968 120 A 3.5636 7.5962 128.3738 53.1335 15.8450 177.2077 121 F 4.3230 7.9113 123.6941 59.3189 40.4260 176.1750 122 G 3.8670 8.1907 106.2589 45.4572 0.0000 174.1237 123 A 4.0202 8.6336 127.0047 55.3593 18.8237 180.6678 *124 K 4.0502 8.0466 116.2402 57.8677 31.6931 179.8822 125 N 4.5199 7.4724 112.6713 54.7203 39.1172 174.5486 126 C 5.1085 8.1136 115.1132 54.3878 41.0177 172.4158 127 P 4.4404 0.0000 0.0000 62.7376 32.4078 178.3998 128 Q 4.0928 8.7365 120.9998 59.0318 28.8624 178.4234 129 E 4.1577 8.1725 115.6590 58.2440 29.7024 177.1052 130 E 4.4917 7.8489 117.1427 55.9216 29.7531 175.7920 131 S 4.8663 7.7442 115.8303 58.1013 63.1061 173.9122 132 E 4.2311 8.8037 127.4091 55.4226 29.9566 174.6156 133 P 4.6971 0.0000 0.0000 62.2742 32.8786 176.9466 134 C 4.4233 8.6760 117.7646 57.4881 41.1330 173.6953 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 S 8.19 4.66 0.00 4.05 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 2 L 8.40 4.21 0.00 1.90 2.03 1.31 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.68 3.77 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 0.85 0.00 0.00 0.97 0.00 0.00 4 Q 7.82 4.09 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 5 F 8.46 4.58 0.00 3.41 3.40 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 6 E 8.40 3.77 0.00 2.16 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 0.00 2.33 2.40 0.00 7 T 7.84 3.90 4.54 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 1.35 0.00 0.00 8 L 8.35 3.95 0.00 1.89 1.68 0.79 0.00 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 9 I 7.73 3.64 1.83 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.36 0.87 0.00 0.00 10 M 7.87 4.37 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.64 0.00 11 K 7.95 3.94 0.00 1.98 1.86 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.47 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.57 7.81 12 V 7.87 3.73 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 0.78 0.00 0.00 0.91 0.00 0.00 13 A 8.07 4.14 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 14 K 7.52 4.54 0.00 1.88 1.81 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.35 7.81 *16 K 7.63 4.04 0.00 1.47 0.74 0.00 0.61 0.00 0.00 1.00 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 0.65 7.81 17 S 7.63 4.63 0.00 3.85 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 18 G 8.95 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 0.00 0.00 0.00 19 M 8.06 4.17 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 20 Q 8.16 4.24 0.00 2.29 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 21 W 8.50 4.71 0.00 2.61 2.35 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 22 Y 8.26 4.93 0.00 2.84 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 23 S 8.48 4.58 0.00 4.18 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 0.00 24 N 6.90 4.81 0.00 2.49 1.42 0.00 0.00 6.60 7.56 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 25 Y 8.10 4.64 0.00 2.99 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 26 G 8.20 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 0.00 0.00 0.00 27 C 8.94 4.41 0.00 2.91 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 28 Y 8.62 4.22 0.00 3.34 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 29 C 8.44 4.57 0.00 3.43 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 31 W 8.57 3.94 0.00 3.51 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 32 G 7.81 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 33 G 7.94 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 34 Q 7.30 4.47 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.10 2.40 0.00 35 G 8.89 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 0.00 0.00 0.00 36 R 8.27 4.60 0.00 1.84 1.83 0.00 3.24 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 37 P 0.00 4.65 0.00 1.83 1.85 0.00 3.43 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.12 0.00 38 Q 9.67 4.07 0.00 1.27 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.46 1.74 0.00 39 D 7.24 4.47 0.00 2.76 2.46 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 40 A 8.88 3.98 1.44 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 41 T 7.96 3.97 4.14 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 0.00 0.00 0.00 1.11 0.00 0.00 42 D 8.91 4.51 0.00 2.90 2.83 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 43 R 8.36 3.97 0.00 1.88 2.06 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 44 C 8.15 4.21 0.00 3.39 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 45 C 8.28 4.37 0.00 3.36 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 46 F 8.31 3.81 0.00 2.56 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 47 V 8.00 3.23 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 0.85 0.00 0.00 1.01 0.00 0.00 48 H 7.95 3.81 0.00 3.12 3.25 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 49 D 8.06 4.07 0.00 2.69 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 0.00 0.00 0.00 0.00 50 C 7.49 4.06 0.00 2.74 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 51 C 8.23 4.24 0.00 2.95 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 52 Y 7.94 4.16 0.00 2.92 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 53 G 8.09 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 54 K 7.35 4.46 0.00 1.85 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 1.30 7.81 55 V 7.07 3.99 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 0.84 0.00 0.00 0.91 0.00 0.00 56 T 8.25 4.42 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 1.19 0.00 0.00 *59 G 8.83 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 0.00 0.00 0.00 0.00 *61 C 7.61 4.78 0.00 3.39 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 *67 D 8.06 4.75 0.00 2.79 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 68 P 0.00 3.89 0.00 1.07 0.49 0.00 3.54 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 69 K 8.58 4.28 0.00 2.02 2.01 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.72 7.81 70 M 7.58 4.51 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 71 D 8.17 4.47 0.00 2.81 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 72 V 8.22 4.20 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 0.77 0.00 0.00 0.89 0.00 0.00 73 Y 7.95 4.91 0.00 3.10 3.08 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 74 S 8.52 5.15 0.00 3.89 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 75 F 8.11 5.58 0.00 3.20 3.12 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 76 S 9.48 4.77 0.00 3.85 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 77 E 8.82 5.48 0.00 1.89 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 2.17 0.00 78 E 8.58 4.69 0.00 1.83 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 2.21 1.90 0.00 79 N 9.81 4.32 0.00 2.83 2.90 0.00 0.00 6.96 7.65 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 80 G 8.67 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 81 D 7.95 4.63 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 4.65 1.81 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.76 0.00 0.00 83 V 9.10 4.29 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 1.08 0.00 0.00 0.96 0.00 0.00 84 C 8.88 4.79 0.00 3.02 2.95 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 85 G 9.30 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 86 G 8.88 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 *88 D 8.10 4.86 0.00 2.83 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 89 D 7.63 4.79 0.00 2.71 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 90 P 0.00 4.27 0.00 2.28 2.29 0.00 3.75 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 2.06 2.02 0.00 91 C 8.48 4.25 0.00 3.01 3.23 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 92 K 8.25 3.93 0.00 2.02 1.97 0.00 1.76 0.00 0.00 2.02 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.79 7.81 93 K 8.13 3.94 0.00 1.83 1.93 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 94 E 7.96 3.87 0.00 2.17 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 0.00 2.24 2.28 0.00 95 I 7.40 3.58 2.07 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.54 0.96 0.00 0.00 96 C 7.68 2.92 0.00 1.85 2.88 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 97 E 8.08 3.79 0.00 2.07 1.88 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 2.50 2.42 0.00 98 C 7.94 4.14 0.00 3.22 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 99 D 7.88 3.96 0.00 2.80 2.95 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 0.00 100 R 8.24 3.76 0.00 1.72 2.00 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 101 A 8.06 3.88 1.27 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 0.00 0.00 102 A 7.77 3.45 1.16 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 0.00 103 A 8.03 3.87 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 0.00 0.00 0.00 0.00 0.00 104 I 7.64 3.61 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.63 0.89 0.00 0.00 105 C 7.80 4.16 0.00 2.93 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 0.00 106 F 7.79 4.53 0.00 3.00 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 0.00 107 R 8.04 3.94 0.00 1.89 2.10 0.00 3.08 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 108 D 8.47 4.61 0.00 2.65 2.72 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 0.00 109 N 7.49 5.85 0.00 2.89 2.88 0.00 0.00 7.26 6.59 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 0.00 110 L 7.80 4.30 0.00 1.81 1.81 0.94 0.56 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 0.00 111 N 8.49 4.44 0.00 2.93 3.15 0.00 0.00 5.85 7.22 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 0.00 112 T 7.73 4.54 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 1.28 0.00 0.00 113 Y 7.78 4.18 0.00 3.09 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 0.00 114 N 9.12 4.97 0.00 2.91 2.75 0.00 0.00 6.58 8.61 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 0.00 115 D 8.31 4.44 0.00 2.94 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 0.00 116 K 8.09 3.86 0.00 1.86 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.33 7.81 117 K 7.72 3.98 0.00 1.34 0.98 0.00 1.47 0.00 0.00 0.94 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.54 1.09 7.81 118 Y 7.21 4.23 0.00 1.61 1.84 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 0.00 119 W 8.16 4.16 0.00 3.47 3.01 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 0.00 0.00 0.00 0.00 120 A 7.60 3.56 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 0.00 0.00 0.00 0.00 0.00 121 F 7.91 4.32 0.00 2.96 3.08 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 0.00 122 G 8.19 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 0.00 123 A 8.63 4.02 1.28 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 0.00 0.00 0.00 *124 K 8.05 4.05 0.00 1.79 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.05 7.81 125 N 7.47 4.52 0.00 2.31 2.37 0.00 0.00 6.82 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 C 8.11 5.11 0.00 2.82 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 0.00 127 P 0.00 4.44 0.00 2.18 1.98 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 128 Q 8.74 4.09 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 129 E 8.17 4.16 0.00 1.95 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 2.32 2.40 0.00 130 E 7.85 4.49 0.00 2.10 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 2.27 2.26 0.00 131 S 7.74 4.87 0.00 3.94 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 0.00 132 E 8.80 4.23 0.00 1.77 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 2.28 2.23 0.00 133 P 0.00 4.70 0.00 2.16 2.07 0.00 3.85 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 134 C 8.68 4.42 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 * Residues marked with a * may have inaccurate shift predictions.