NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3406 8.2914 118.7955 55.8521 31.6571 177.2839 4 G 3.8694 7.8865 110.1396 44.2463 0.0000 171.8172 5 E 3.9674 9.5347 123.7181 59.1244 30.8139 176.2631 6 L 3.6608 7.9639 120.3385 56.6304 43.1939 178.3315 *8 R 4.1835 8.0367 117.8794 55.9509 31.9390 176.4632 9 L 4.3652 7.8360 118.9627 55.3109 42.0722 178.4560 *11 K 4.0598 8.1387 118.3005 56.2029 34.5883 177.5833 12 R 3.7237 7.6505 118.6997 59.0825 29.4625 178.7978 13 R 3.8473 7.9869 117.7024 59.1482 30.3511 178.7044 14 I 3.5808 7.2509 118.9958 64.3028 36.9278 178.2799 15 L 3.6067 7.3623 118.5792 57.5481 41.4755 178.6566 16 E 4.4535 7.6343 115.1344 55.8618 29.7794 176.7391 17 S 4.3213 7.8556 115.5448 58.4612 63.4110 174.4962 18 Y 4.2051 8.6784 123.5628 60.6971 38.7785 177.3286 19 R 3.7388 8.2900 116.5477 59.4807 29.0705 178.3353 20 W 3.6865 8.2260 118.8959 59.4002 29.4143 177.9667 21 Q 4.0165 8.0505 117.8622 59.5681 28.0713 179.5736 22 E 3.9614 8.0194 118.0702 58.2852 29.7123 177.8736 23 D 4.6597 7.6565 116.5981 54.8798 41.9880 176.1844 24 V 3.9794 8.2095 117.8262 63.6212 33.9444 177.1819 25 V 3.8912 8.0225 120.3202 66.1968 31.3918 177.7590 26 K 4.1355 8.1381 120.1580 58.9207 31.2367 176.7037 27 P 4.1114 0.0000 0.0000 65.8552 31.6722 178.7057 28 L 4.4306 7.8017 117.8689 54.6310 40.0883 177.7505 29 S 4.8780 7.4042 113.0294 58.1524 63.6474 176.7603 30 R 4.1896 7.2569 118.6474 57.6195 29.8728 176.7201 31 E 4.5408 7.7022 118.6303 56.2719 30.2068 176.8080 32 L 3.5079 7.8829 114.6962 55.7044 40.0763 174.9929 33 E 3.5320 9.1311 116.3130 57.8523 29.2587 177.0906 34 I 3.3641 8.8347 112.5110 63.3941 36.1736 174.7782 35 D 4.0737 7.8842 120.0157 56.4594 39.4399 175.9311 36 V 3.5485 8.2270 123.0605 66.3625 31.9746 177.0906 37 E 3.7791 8.0395 116.6633 59.6789 30.0125 178.2048 38 E 4.6577 8.7302 119.5854 58.9729 29.7500 179.2669 39 F 4.3608 8.2076 119.7576 61.7373 39.3744 176.9507 40 Q 3.8154 8.1223 117.5979 59.6932 29.0802 178.2745 41 D 4.4667 8.5550 119.8684 57.1370 40.6903 178.9011 42 I 3.7576 7.5633 119.9745 64.2498 37.3305 179.2833 43 L 3.9865 7.9004 117.5407 55.4602 41.2769 178.5986 *45 D 4.4814 8.0326 120.2782 54.1306 42.3589 176.3065 46 K 4.2166 8.0763 118.1962 58.3262 32.8128 176.9320 47 L 4.2613 7.8689 120.1823 55.0511 43.8941 174.7454 48 D 4.7816 8.3611 124.7319 53.6574 37.7448 178.0796 *50 S 4.3727 9.1020 113.5336 58.6605 64.9441 175.4852 51 S 4.0610 8.1447 115.6122 61.8453 62.8826 176.5757 52 L 4.0297 7.8966 118.6792 58.0511 41.9396 178.7211 53 E 4.4296 7.3093 117.3785 54.0026 28.0181 174.9393 54 A 4.5009 7.4362 124.6948 51.8851 24.8702 178.8151 55 L 3.9567 7.9850 116.7245 58.4964 41.6855 178.5690 56 H 3.5945 8.5258 116.8915 59.2251 29.6670 174.6749 57 P 4.2698 0.0000 0.0000 66.0190 30.9761 178.4585 58 R 3.9233 7.5875 116.7066 59.4762 29.9188 178.3295 59 F 4.0371 8.8076 120.8398 61.2485 39.1782 177.1228 60 E 4.1368 8.6664 117.8030 59.0415 29.3520 178.6568 61 S 4.3798 8.0052 111.6806 59.2741 63.7860 174.8597 62 A 4.5022 7.1332 123.8063 51.8659 20.2651 177.9394 63 R 3.5054 7.5082 118.1088 59.0127 29.9879 176.4357 64 P 4.1301 0.0000 0.0000 65.9786 31.4462 177.9870 65 R 3.8288 7.9498 118.9619 59.2375 30.0266 178.0904 66 C 4.1475 8.4130 116.3077 62.4547 28.0023 176.1916 67 I 3.7112 7.3844 121.5396 64.0198 36.6944 178.3585 68 R 3.9153 8.0276 118.9328 59.3397 29.9391 178.5634 69 E 3.9539 7.9495 118.0760 59.5042 29.5470 179.2896 70 K 3.8348 7.7868 118.7026 59.6145 32.1902 178.4713 71 L 4.0681 8.4744 119.2824 58.2509 41.5871 178.6929 72 H 3.9995 8.8919 118.4326 59.8730 29.6159 176.6734 73 S 4.1189 8.3215 114.5752 61.4462 62.0778 175.5188 74 D 4.4866 8.7062 122.0102 57.1817 40.6772 177.9263 75 L 4.4857 8.2215 118.0015 54.0994 42.9511 176.5156 76 Q 3.4540 8.3225 116.2861 56.7575 27.1978 176.1252 77 L 4.1217 7.9455 118.3506 56.8993 41.9584 178.1164 78 C 4.0308 7.9972 118.9436 62.1193 31.1737 175.2506 79 W 4.1428 7.9308 118.8349 59.6055 29.4454 178.1834 80 L 4.1896 8.3062 118.8501 57.9325 41.0787 177.3174 81 V 4.3231 8.0757 115.0519 63.3105 33.5532 176.6609 82 D 4.4297 8.0335 120.8130 57.2844 41.2111 178.2839 83 V 3.9092 7.4005 115.1695 63.6088 30.8249 175.9283 *85 E 4.4632 7.7554 117.5649 56.8935 30.7266 177.8583 86 I 3.9721 7.9028 122.4057 63.3093 37.3770 176.6533 87 I 4.5802 6.9530 118.4049 58.4049 39.9222 176.1787 88 S 4.2846 8.5269 120.1320 58.3507 64.7992 175.5804 89 V 3.5759 8.3210 123.0562 66.2510 31.3832 177.9093 90 D 4.3584 8.1236 118.0982 57.6494 40.6322 178.2704 91 D 4.3378 8.3192 118.9472 57.4587 40.8390 178.5480 92 A 3.9934 8.2551 121.3063 55.4151 18.2736 179.1933 93 E 3.8246 8.7932 117.3388 59.3613 29.7360 178.5072 94 A 4.1078 7.9440 120.7151 55.4019 18.4137 179.1541 95 L 4.1630 8.0888 120.0077 57.8349 42.1154 179.4843 96 K 4.0606 8.3339 118.2879 59.5259 31.8110 178.7778 97 D 4.3700 8.3859 119.9491 57.3017 40.2977 178.3886 98 E 3.8784 8.3381 117.7852 59.8006 29.4717 179.4052 99 I 3.7508 7.7804 120.5757 64.3620 37.1291 178.4977 100 T 3.8994 8.0717 116.6354 66.5181 68.0358 175.9511 101 E 3.9272 8.5354 120.8842 59.7606 29.8301 178.5801 102 L 4.0855 7.8679 118.8934 57.8388 41.8034 179.6757 103 V 4.2009 8.0786 120.1732 64.5435 30.9761 178.3202 104 L 4.1624 8.3270 118.2948 56.4398 41.4102 178.0253 105 A 4.6385 8.0670 120.0344 52.0364 19.3463 177.5609 106 G 4.0117 8.1732 109.8627 46.5122 0.0000 175.2418 107 R 3.8302 8.0585 119.9864 56.5297 30.5389 174.9192 108 E 4.2854 8.8482 125.3771 56.3428 30.5524 176.1237 109 Y 4.4167 8.9062 127.6089 61.8703 38.7267 178.0233 110 S 4.0136 8.2938 113.8656 62.3505 62.8792 176.5043 111 E 3.8881 8.1150 119.6496 59.6770 29.4707 179.3510 112 A 3.9272 8.6360 121.6722 55.0830 18.3111 179.3919 113 L 3.6486 8.3150 119.7071 58.1638 42.0033 179.2933 114 S 4.0498 7.6478 115.0843 61.7328 62.7611 176.3836 115 E 4.0128 7.9652 122.0898 59.2079 29.3300 179.1194 116 G 3.5373 7.9858 105.9486 47.3819 0.0000 175.7701 117 R 3.8443 8.1721 121.3633 59.5295 30.1488 178.4093 118 R 3.9471 8.1036 117.7973 59.6777 30.1493 179.0143 119 R 4.1003 8.3704 118.2401 59.2226 29.9548 178.3585 120 L 3.8808 7.9058 120.5093 58.3152 42.0867 178.1714 121 H 4.0170 8.3534 116.3009 59.3132 28.5243 176.6464 122 E 3.8980 8.0708 119.2609 59.6428 29.4273 178.4423 123 I 3.8463 7.6242 118.9789 64.6862 37.4362 177.8255 124 L 4.1197 7.9878 118.2909 57.5819 42.7044 179.3831 125 R 4.4368 8.0274 118.2009 55.2229 27.4440 176.8215 126 S 4.2138 7.4518 118.2699 58.8729 64.0605 174.7319 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 3 E 8.29 4.34 0.00 2.20 2.26 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 2.25 2.37 0.00 4 G 7.89 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 5 E 9.53 3.97 0.00 1.75 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 2.31 2.39 0.00 6 L 7.96 3.66 0.00 1.74 1.63 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *8 R 8.04 4.18 0.00 2.26 1.97 0.00 3.30 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 9 L 7.84 4.37 0.00 1.83 1.75 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 *11 K 8.14 4.06 0.00 1.82 1.97 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.33 7.81 12 R 7.65 3.72 0.00 2.24 2.00 0.00 3.07 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 13 R 7.99 3.85 0.00 1.70 1.90 0.00 3.18 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 14 I 7.25 3.58 1.47 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 -0.12 0.00 0.00 15 L 7.36 3.61 0.00 1.42 1.61 0.79 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.63 4.45 0.00 2.20 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 2.34 2.29 0.00 17 S 7.86 4.32 0.00 3.76 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 18 Y 8.68 4.21 0.00 3.10 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 19 R 8.29 3.74 0.00 1.95 2.23 0.00 2.80 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.74 0.00 20 W 8.23 3.69 0.00 3.36 3.29 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 21 Q 8.05 4.02 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.73 2.66 0.00 22 E 8.02 3.96 0.00 1.48 1.71 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 1.83 1.47 0.00 23 D 7.66 4.66 0.00 2.41 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 0.00 0.00 0.00 0.00 24 V 8.21 3.98 1.69 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 0.66 0.00 0.00 -0.56 0.00 0.00 25 V 8.02 3.89 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 0.92 0.00 0.00 1.24 0.00 0.00 26 K 8.14 4.14 0.00 1.98 1.86 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.43 7.81 27 P 0.00 4.11 0.00 2.23 2.13 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 28 L 7.80 4.43 0.00 1.82 1.28 1.34 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.40 4.88 0.00 3.68 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 30 R 7.26 4.19 0.00 1.83 1.92 0.00 3.28 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 31 E 7.70 4.54 0.00 1.85 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 2.12 2.20 0.00 32 L 7.88 3.51 0.00 1.83 1.71 0.91 0.86 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 33 E 9.13 3.53 0.00 2.07 2.10 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 2.22 2.32 0.00 34 I 8.83 3.36 2.21 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 1.30 0.48 0.91 0.00 0.00 35 D 7.88 4.07 0.00 3.06 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 36 V 8.23 3.55 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 1.19 0.00 0.00 1.05 0.00 0.00 37 E 8.04 3.78 0.00 2.03 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 2.33 2.48 0.00 38 E 8.73 4.66 0.00 2.20 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 0.00 2.37 2.49 0.00 39 F 8.21 4.36 0.00 3.01 3.31 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 0.00 40 Q 8.12 3.82 0.00 2.11 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 41 D 8.55 4.47 0.00 2.79 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 42 I 7.56 3.76 2.19 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.96 1.00 0.00 0.00 43 L 7.90 3.99 0.00 1.62 1.57 0.64 0.60 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 *45 D 8.03 4.48 0.00 2.71 2.92 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 46 K 8.08 4.22 0.00 1.75 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.63 1.58 7.81 47 L 7.87 4.26 0.00 1.67 1.64 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 48 D 8.36 4.78 0.00 2.81 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 0.00 0.00 0.00 *50 S 9.10 4.37 0.00 4.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.06 0.00 4.16 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 52 L 7.90 4.03 0.00 1.56 1.54 0.73 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.31 4.43 0.00 1.81 1.94 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 2.29 2.21 0.00 54 A 7.44 4.50 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 55 L 7.98 3.96 0.00 2.16 1.81 1.22 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 56 H 8.53 3.59 0.00 3.27 3.37 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.27 0.00 2.24 2.16 0.00 3.90 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 2.19 2.25 0.00 58 R 7.59 3.92 0.00 1.88 2.14 0.00 3.10 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 59 F 8.81 4.04 0.00 3.07 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 60 E 8.67 4.14 0.00 2.13 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 2.36 2.53 0.00 61 S 8.01 4.38 0.00 4.02 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 62 A 7.13 4.50 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 63 R 7.51 3.51 0.00 1.90 2.05 0.00 3.11 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 64 P 0.00 4.13 0.00 2.27 2.26 0.00 3.68 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 2.01 1.98 0.00 65 R 7.95 3.83 0.00 1.84 2.08 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 66 C 8.41 4.15 0.00 2.98 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 67 I 7.38 3.71 1.99 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 1.42 0.72 0.98 0.00 0.00 68 R 8.03 3.92 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 69 E 7.95 3.95 0.00 2.19 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 2.29 2.47 0.00 70 K 7.79 3.83 0.00 1.86 1.77 0.00 1.30 0.00 0.00 0.74 0.00 0.00 2.46 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.47 1.37 7.81 71 L 8.47 4.07 0.00 1.93 1.78 1.00 1.17 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 72 H 8.89 4.00 0.00 3.33 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.32 4.12 0.00 3.97 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 74 D 8.71 4.49 0.00 2.79 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 75 L 8.22 4.49 0.00 1.64 1.66 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.32 3.45 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 77 L 7.95 4.12 0.00 1.31 1.41 0.90 0.66 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 78 C 8.00 4.03 0.00 2.91 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 79 W 7.93 4.14 0.00 3.47 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 80 L 8.31 4.19 0.00 1.92 1.77 0.99 0.66 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 81 V 8.08 4.32 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 1.15 0.00 0.00 0.97 0.00 0.00 82 D 8.03 4.43 0.00 2.80 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 83 V 7.40 3.91 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 0.82 0.00 0.00 0.49 0.00 0.00 *85 E 7.76 4.46 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 2.42 2.48 0.00 86 I 7.90 3.97 2.00 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 1.32 0.51 0.92 0.00 0.00 87 I 6.95 4.58 1.88 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 1.36 0.62 0.92 0.00 0.00 88 S 8.53 4.28 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.58 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 1.06 0.00 0.00 0.93 0.00 0.00 90 D 8.12 4.36 0.00 2.76 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 91 D 8.32 4.34 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 92 A 8.26 3.99 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 93 E 8.79 3.82 0.00 2.20 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 2.30 2.38 0.00 94 A 7.94 4.11 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 95 L 8.09 4.16 0.00 1.75 1.88 0.98 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.33 4.06 0.00 2.01 1.87 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.55 7.81 97 D 8.39 4.37 0.00 2.93 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 98 E 8.34 3.88 0.00 2.21 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 0.00 2.59 2.52 0.00 99 I 7.78 3.75 1.89 0.00 0.00 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 1.85 0.97 0.90 0.00 0.00 100 T 8.07 3.90 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 1.22 0.00 0.00 101 E 8.54 3.93 0.00 2.08 2.20 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 2.34 2.38 0.00 102 L 7.87 4.09 0.00 2.04 1.68 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.08 4.20 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 1.35 0.00 0.00 1.02 0.00 0.00 104 L 8.33 4.16 0.00 1.95 1.79 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.07 4.64 1.31 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 0.00 0.00 0.00 106 G 8.17 4.01 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 0.00 0.00 0.00 107 R 8.06 3.83 0.00 1.95 1.90 0.00 3.40 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 108 E 8.85 4.29 0.00 2.14 1.91 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 2.47 2.55 0.00 109 Y 8.91 4.42 0.00 3.10 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 0.00 110 S 8.29 4.01 0.00 3.89 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 0.00 111 E 8.11 3.89 0.00 2.11 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 2.39 2.38 0.00 112 A 8.64 3.93 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 0.00 113 L 8.32 3.65 0.00 0.99 1.46 0.90 -0.16 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 0.00 114 S 7.65 4.05 0.00 3.98 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 0.00 115 E 7.97 4.01 0.00 1.98 1.92 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 2.29 2.46 0.00 116 G 7.99 3.54 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 0.00 0.00 0.00 117 R 8.17 3.84 0.00 2.03 2.13 0.00 3.17 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 118 R 8.10 3.95 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 119 R 8.37 4.10 0.00 1.87 1.93 0.00 3.34 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 120 L 7.91 3.88 0.00 1.87 1.73 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 H 8.35 4.02 0.00 3.38 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.07 3.90 0.00 2.12 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 2.34 2.38 0.00 123 I 7.62 3.85 2.03 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 1.52 0.84 0.95 0.00 0.00 124 L 7.99 4.12 0.00 1.77 1.76 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.03 4.44 0.00 1.86 1.91 0.00 3.20 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 126 S 7.45 4.21 0.00 3.93 3.68 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 * Residues marked with a * may have inaccurate shift predictions.