NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8281 8.3544 109.7354 45.7800 0.0000 172.9507 0 D 4.3674 8.1369 125.7740 53.8190 43.2293 172.1440 2 T 3.8088 9.2617 120.7651 63.6100 68.7252 171.0011 3 L 4.9485 8.2108 125.7156 54.4455 42.8253 176.0108 4 E 4.7879 9.2004 120.0491 54.4399 33.5104 174.6047 5 K 4.7860 8.5180 120.3568 56.2970 33.4809 175.8355 6 H 5.0710 9.5057 123.7552 54.4274 33.0678 171.9485 7 A 5.3672 8.5323 125.9884 50.4831 23.0035 174.1728 8 F 5.3872 8.3697 113.2417 55.9247 42.0531 172.8302 9 K 5.4964 9.1436 118.5486 53.9304 36.3073 174.6417 *11 Q 4.3695 8.4079 120.4131 55.9472 29.6563 173.7304 12 L 4.5107 8.3572 128.9555 53.4951 43.3579 176.0373 13 N 4.5589 8.9119 123.7581 52.4243 39.3495 173.3955 14 P 4.0673 0.0000 0.0000 64.4486 32.4257 176.2802 15 G 3.4486 8.4161 108.6476 46.1243 0.0000 172.7897 *17 E 4.3022 7.8584 121.7081 56.2080 32.0659 177.4099 18 A 4.0315 7.9365 119.8374 55.1549 18.4161 179.0283 19 E 3.8699 8.1635 117.4352 59.4423 29.8704 178.1448 20 Y 3.9622 8.0461 119.1566 60.6504 38.8297 177.8990 21 R 3.9371 8.2998 119.5740 59.3213 30.2515 178.2355 22 K 3.8978 8.2940 119.5518 59.8312 31.9915 178.9220 23 R 3.9819 7.9373 116.9123 59.5845 30.3196 178.4728 24 H 4.3376 8.1799 115.6942 58.5128 28.4982 177.4496 25 D 4.4859 8.3295 120.4669 56.4590 40.5909 177.4502 26 E 4.6775 7.5363 117.0458 54.8880 31.0761 175.9184 27 I 3.4896 6.9460 118.8469 60.9702 38.6766 176.2098 28 W 4.5058 7.9247 127.0527 56.0926 30.4174 175.5049 29 P 4.2720 0.0000 0.0000 65.9041 30.8309 178.7008 30 E 3.9560 8.2017 115.7712 59.1098 29.4798 178.9325 31 L 3.7948 7.8742 120.9776 57.7932 42.1632 178.6333 32 V 3.3868 7.5226 118.2242 66.1475 31.3131 177.6252 33 D 4.3387 8.1861 118.5360 57.3020 40.6729 178.5915 34 L 3.8431 7.7825 120.6432 58.0818 42.0731 178.9049 35 L 3.8965 8.0812 119.2117 58.1579 41.5811 179.2075 36 H 4.5226 8.2621 117.5967 58.6419 28.4704 177.8932 37 Q 4.0694 8.1340 118.7914 58.8089 28.7927 178.5510 38 S 4.7385 7.5340 115.4991 58.1966 63.4759 175.3638 39 G 4.0970 7.9464 110.2193 45.1988 0.0000 173.3422 40 A 4.6087 8.3399 124.5191 51.6126 19.3344 177.0431 41 S 4.5170 8.6951 115.8636 57.2517 66.5338 172.8963 42 D 4.3422 8.5662 117.7322 55.5234 39.1150 172.5004 43 Y 5.5382 7.8550 119.1803 56.4220 40.4529 175.4214 44 S 4.8264 9.3840 120.9007 56.5966 67.0048 172.9704 45 I 5.0757 7.9782 120.4065 60.0140 40.8325 174.5285 46 H 4.9559 9.3143 122.4615 53.9519 33.0288 171.9083 47 L 4.8986 8.5570 124.0905 53.5237 43.9319 175.1668 48 D 4.7173 9.1569 127.1530 53.1451 41.2247 177.2128 49 R 3.9860 8.7049 126.3572 58.8689 30.5623 178.2009 50 E 4.0809 8.5427 118.4045 58.5184 29.7122 177.1701 51 T 4.3798 7.2171 106.0611 60.4677 70.2361 174.0534 52 N 4.2132 8.2881 119.0234 54.5429 36.7918 173.3129 53 T 4.2131 7.4532 115.6044 63.1504 69.9814 173.7163 54 L 4.8070 8.0926 125.8574 53.2636 44.0028 175.2020 55 F 4.8842 9.4172 123.3765 55.7678 41.1721 174.8813 56 G 4.1319 8.5088 112.1367 44.2333 0.0000 172.4964 57 V 5.2596 8.8182 122.1673 59.9308 35.1963 174.0723 58 L 5.2495 9.0065 122.3791 55.3644 44.5781 174.0775 59 T 5.1986 8.7752 116.7202 62.2557 70.7904 174.2247 60 R 5.6959 8.9019 120.4349 54.5606 33.3629 172.7921 61 P 4.8417 0.0000 0.0000 62.7677 32.3076 176.9876 62 K 3.9290 8.6725 121.1915 58.7913 32.6240 177.9175 63 D 4.7986 7.6606 119.1701 53.9777 41.1591 176.3055 64 H 4.3411 7.7511 114.0261 55.6768 29.4575 174.9686 65 T 4.1892 8.5433 110.1785 59.9388 68.9037 174.6688 *67 A 4.3243 8.3837 129.5710 51.8739 20.6432 177.8014 68 S 4.4810 7.9443 111.1059 59.8282 63.0875 176.2798 69 L 3.9579 7.8704 122.1241 57.3744 41.1562 177.3225 70 P 4.3200 0.0000 0.0000 65.1698 31.3864 177.3578 71 D 4.6610 7.9374 115.5875 53.9933 41.2824 175.5357 72 H 4.5315 7.5625 120.7251 54.0819 30.9690 172.7953 73 P 4.3726 0.0000 0.0000 66.0595 31.4392 179.1802 74 V 4.0053 7.9125 114.6108 63.4189 31.0641 177.5064 *76 K 4.3223 8.1846 119.4058 55.9654 34.0224 178.4758 77 K 4.1842 8.5688 118.5999 59.1640 31.6881 179.2140 78 W 3.9263 8.4547 127.9063 60.2494 30.6661 177.6758 79 W 4.6201 8.2299 117.1067 59.8729 28.6221 177.7908 80 A 4.2836 8.2392 119.7272 55.3191 17.8467 179.5386 81 H 4.1833 8.1370 111.9542 57.2613 29.6501 175.8992 *83 A 4.3346 8.0207 124.2616 51.5629 20.2378 179.2520 84 D 4.4493 8.1389 114.1396 55.2147 39.8832 176.6558 85 I 4.2827 7.0787 114.8149 60.1750 38.1651 174.9030 *87 A 4.3000 7.9346 123.1453 53.3189 19.5258 176.6396 88 T 4.9028 8.0652 111.9383 59.5427 72.1380 173.4713 89 N 4.6447 8.9226 120.8481 51.7971 39.5594 174.5183 90 P 4.2078 0.0000 0.0000 66.0251 31.3020 177.1965 91 D 4.6789 7.9650 114.5356 53.2764 39.3215 177.0499 92 N 4.5477 8.2836 116.8263 53.6651 37.8183 175.0538 93 S 2.7900 7.7037 113.8295 56.2769 63.6134 172.0808 94 P 4.4465 0.0000 0.0000 62.4660 31.5552 176.2048 95 V 3.6169 8.0460 121.9202 63.6088 31.7249 175.0230 96 Q 5.5432 8.6978 127.8162 54.3836 32.3742 173.6064 97 S 4.8491 8.5416 118.5494 56.6032 66.8134 172.8049 98 D 5.0304 8.8388 121.4163 54.4137 41.5815 175.6976 99 L 4.8164 8.7405 121.7665 53.2349 44.4732 175.9789 100 V 4.2683 8.1400 120.1908 61.4184 32.9011 175.4753 101 T 4.2365 8.5310 124.3210 63.4344 68.7254 174.3493 102 L 4.6253 8.3231 125.4883 54.8805 43.3683 176.3248 103 F 4.8703 7.7530 117.5627 57.7488 41.9584 172.0177 104 H 4.1847 7.8524 125.1693 54.3413 32.9252 171.2322 *106 P 4.0756 0.0000 0.0000 62.7810 31.5511 176.6550 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 G 8.35 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 0 D 8.14 4.37 0.00 2.76 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 2 T 9.26 3.81 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 3 L 8.21 4.95 0.00 1.52 1.57 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.20 4.79 0.00 1.95 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 2.40 2.26 0.00 5 K 8.52 4.79 0.00 1.62 1.76 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.64 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.20 7.81 6 H 9.51 5.07 0.00 3.16 3.12 0.00 5.72 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 7 A 8.53 5.37 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 8 F 8.37 5.39 0.00 3.27 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 9 K 9.14 5.50 0.00 1.26 1.69 0.00 1.46 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.11 7.81 *11 Q 8.41 4.37 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 12 L 8.36 4.51 0.00 1.39 1.37 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.91 4.56 0.00 2.66 2.72 0.00 0.00 7.01 7.68 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 14 P 0.00 4.07 0.00 2.02 1.98 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 15 G 8.42 3.45 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 *17 E 7.86 4.30 0.00 2.02 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 2.30 2.32 0.00 18 A 7.94 4.03 1.34 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 0.00 0.00 19 E 8.16 3.87 0.00 2.11 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 2.37 2.41 0.00 20 Y 8.05 3.96 0.00 3.10 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 21 R 8.30 3.94 0.00 2.10 2.16 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 22 K 8.29 3.90 0.00 1.96 1.97 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.51 7.81 23 R 7.94 3.98 0.00 1.73 1.72 0.00 2.90 0.00 0.00 2.75 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 24 H 8.18 4.34 0.00 3.27 3.30 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.33 4.49 0.00 2.85 2.76 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 26 E 7.54 4.68 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 2.32 2.44 0.00 27 I 6.95 3.49 1.79 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.36 0.84 0.00 0.00 28 W 7.92 4.51 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 29 P 0.00 4.27 0.00 2.16 2.13 0.00 3.68 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 30 E 8.20 3.96 0.00 2.17 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 2.52 2.35 0.00 31 L 7.87 3.79 0.00 1.60 1.43 0.63 -0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.52 3.39 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 0.91 0.00 0.00 0.79 0.00 0.00 33 D 8.19 4.34 0.00 2.85 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 34 L 7.78 3.84 0.00 1.71 1.69 0.65 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.08 3.90 0.00 1.75 1.68 0.92 0.93 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 36 H 8.26 4.52 0.00 3.32 3.30 0.00 5.65 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 37 Q 8.13 4.07 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 38 S 7.53 4.74 0.00 4.05 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 39 G 7.95 4.10 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 0.00 0.00 0.00 40 A 8.34 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 41 S 8.70 4.52 0.00 3.99 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 42 D 8.57 4.34 0.00 2.93 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 43 Y 7.86 5.54 0.00 2.95 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 44 S 9.38 4.83 0.00 3.79 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 0.00 45 I 7.98 5.08 1.84 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 1.39 0.44 0.93 0.00 0.00 46 H 9.31 4.96 0.00 3.09 3.16 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.56 4.90 0.00 1.53 1.53 0.86 1.17 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 48 D 9.16 4.72 0.00 3.09 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 49 R 8.70 3.99 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 50 E 8.54 4.08 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 2.30 2.30 0.00 51 T 7.22 4.38 4.23 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 1.23 0.00 0.00 52 N 8.29 4.21 0.00 2.93 3.07 0.00 0.00 6.88 6.58 0.00 0.00 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 T 7.45 4.21 4.04 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 0.26 0.00 0.00 54 L 8.09 4.81 0.00 1.40 1.41 0.45 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 55 F 9.42 4.88 0.00 2.88 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 56 G 8.51 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 57 V 8.82 5.26 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 0.85 0.00 0.00 1.01 0.00 0.00 58 L 9.01 5.25 0.00 1.82 1.63 0.88 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.78 5.20 4.36 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 1.20 0.00 0.00 60 R 8.90 5.70 0.00 1.79 1.90 0.00 2.56 0.00 0.00 3.11 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 61 P 0.00 4.84 0.00 2.14 2.22 0.00 3.82 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 2.09 2.01 0.00 62 K 8.67 3.93 0.00 1.84 1.94 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.62 7.81 63 D 7.66 4.80 0.00 2.77 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 64 H 7.75 4.34 0.00 3.43 3.47 0.00 5.51 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.54 4.19 4.23 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 1.19 0.00 0.00 *67 A 8.38 4.32 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 68 S 7.94 4.48 0.00 4.10 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 69 L 7.87 3.96 0.00 1.68 1.60 0.87 1.00 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 70 P 0.00 4.32 0.00 2.17 2.51 0.00 3.82 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 2.18 2.57 0.00 71 D 7.94 4.66 0.00 2.81 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 72 H 7.56 4.53 0.00 3.04 3.18 0.00 5.98 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.37 0.00 2.19 2.10 0.00 3.31 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 2.04 2.06 0.00 74 V 7.91 4.01 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 1.22 0.00 0.00 1.01 0.00 0.00 *76 K 8.18 4.32 0.00 2.06 1.99 0.00 1.77 0.00 0.00 1.91 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.52 1.63 7.81 77 K 8.57 4.18 0.00 2.26 2.18 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.68 7.81 78 W 8.45 3.93 0.00 3.01 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 79 W 8.23 4.62 0.00 3.65 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 80 A 8.24 4.28 1.46 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 81 H 8.14 4.18 0.00 3.30 3.32 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 A 8.02 4.33 1.39 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 84 D 8.14 4.45 0.00 2.77 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 85 I 7.08 4.28 1.89 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 1.19 1.34 0.89 0.00 0.00 *87 A 7.93 4.30 1.25 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 0.00 0.00 88 T 8.07 4.90 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 1.16 0.00 0.00 89 N 8.92 4.64 0.00 2.83 2.72 0.00 0.00 7.23 8.59 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 90 P 0.00 4.21 0.00 2.02 2.14 0.00 3.63 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 2.02 2.09 0.00 91 D 7.97 4.68 0.00 2.85 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 92 N 8.28 4.55 0.00 3.10 3.21 0.00 0.00 6.90 6.87 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 93 S 7.70 2.79 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.13 2.02 0.00 2.33 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 95 V 8.05 3.62 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 0.67 0.00 0.00 0.86 0.00 0.00 96 Q 8.70 5.54 0.00 2.14 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 97 S 8.54 4.85 0.00 3.91 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 98 D 8.84 5.03 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 99 L 8.74 4.82 0.00 1.57 1.64 1.15 1.26 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 0.00 100 V 8.14 4.27 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 0.86 0.00 0.00 0.97 0.00 0.00 101 T 8.53 4.24 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 1.24 0.00 0.00 102 L 8.32 4.63 0.00 1.68 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.75 4.87 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 0.00 104 H 7.85 4.18 0.00 2.95 3.00 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.08 0.00 2.05 1.95 0.00 3.61 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.