NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.0858 8.4449 121.4583 56.1029 31.2438 175.3991 *4 T 3.9180 7.6093 113.2471 63.0032 70.5063 173.9664 5 K 5.0572 8.4138 123.5648 54.8573 35.0339 175.9063 6 V 4.8671 9.0612 118.1481 59.7008 35.7766 174.8436 7 T 5.4052 7.6137 111.3632 59.6040 72.2379 173.3396 8 G 3.9665 6.8451 106.7004 46.3914 0.0000 172.0015 9 K 5.0659 7.8777 115.8336 54.9801 34.4268 176.0499 10 F 5.4949 8.6309 116.9107 55.5462 41.4393 173.3546 11 D 5.1327 9.0840 119.6661 52.5125 43.7399 175.8107 12 V 4.8466 8.1358 120.5466 59.7769 34.8383 174.4858 13 K 4.5345 9.2680 124.6550 54.5979 35.0618 174.5688 14 L 5.1855 8.5666 126.6233 53.4054 44.1551 175.7784 15 T 4.5494 8.5198 121.9106 61.3230 69.4978 173.6982 16 P 4.4897 0.0000 0.0000 63.1490 32.1617 175.0882 17 E 4.8268 8.7870 120.6121 54.4601 33.9616 174.5408 18 N 4.5602 8.6455 119.0892 52.6840 39.7254 174.3682 19 A 4.3872 8.3634 128.6066 51.6839 19.7470 176.6306 20 Y 4.1911 8.8392 122.7587 60.2876 39.1319 176.2446 21 A 4.3716 7.7540 120.1307 50.9308 20.8286 175.8180 22 T 4.5903 7.9216 115.6073 61.3540 71.1394 175.0362 23 G 4.1594 8.4089 114.1271 45.0958 0.0000 172.9766 24 V 4.4252 7.6767 114.2816 59.8544 35.5105 175.5550 25 G 3.8046 9.6037 106.6423 46.8213 0.0000 175.0949 26 G 3.9325 8.5057 108.0163 44.3601 0.0000 174.6250 27 V 3.8842 7.4753 120.5689 62.5162 32.8709 174.1834 28 N 5.2237 8.6653 125.2287 51.8645 41.4687 172.9028 29 L 4.9482 8.6453 125.8174 53.4939 44.0926 175.9851 30 G 4.3659 8.7651 107.4404 43.8833 0.0000 171.1833 31 R 4.9374 8.2655 119.8328 54.1464 34.8316 173.3095 *33 A 4.5087 8.2939 121.3444 51.6968 20.4217 175.4286 34 L 5.1513 8.8685 121.2404 52.9831 45.1299 175.4124 35 D 5.2913 8.9854 122.5579 52.5636 44.5250 174.9464 36 K 4.9874 9.0557 121.9689 54.8069 37.0292 175.3585 37 T 4.7418 8.4470 118.4982 61.8260 71.9853 172.9684 38 F 5.0289 9.2378 125.9100 56.2223 40.3039 174.6663 39 Y 5.1223 9.4221 120.5892 56.1981 41.1286 175.6390 40 G 4.4193 9.2389 106.6338 44.2200 0.0000 175.6664 41 E 4.2068 9.3866 122.3130 58.4747 30.6171 175.1321 42 L 4.7078 8.2526 122.1465 53.8106 42.8500 176.1784 43 E 4.8975 9.2214 129.6246 55.0193 31.2277 174.3050 44 A 4.9986 8.7856 127.3729 51.1249 23.5296 174.6844 45 R 5.1897 8.8550 118.0917 54.4556 33.7232 175.4753 46 S 5.1865 9.1274 116.2541 56.8443 67.0596 172.8219 47 Q 4.8812 8.4827 119.4371 54.7269 33.0170 175.2394 48 G 3.8183 8.1957 106.8968 46.9306 0.0000 170.1063 49 E 4.3530 7.9290 119.5531 55.2819 34.1127 174.6006 *51 L 4.6793 8.4352 118.6805 55.6976 43.2653 176.2593 52 S 5.0210 8.7986 114.8788 56.9185 67.1346 172.5235 53 A 4.9394 8.6596 122.4979 49.7126 23.3304 174.8447 *55 T 4.1591 8.2718 108.3625 61.6211 69.6143 173.7318 56 A 4.2281 8.4005 121.9960 52.7431 18.8430 177.2244 57 V 4.3324 7.3901 117.0838 60.1848 33.1651 175.3376 58 K 4.0259 8.5188 126.4191 58.1883 32.8744 177.0670 59 G 3.8822 8.9843 109.1248 45.9499 0.0000 172.4787 60 S 4.8868 7.5519 116.3319 56.6523 64.4436 172.9969 61 A 4.4145 8.0280 125.1522 51.1526 21.9683 175.1354 62 G 4.0076 8.7246 105.9054 44.6475 0.0000 171.5768 63 Y 5.3651 8.6163 118.4625 56.2085 42.4992 174.8204 64 V 5.0994 8.9718 114.4384 60.2918 36.1846 174.4233 65 A 4.8214 8.5550 122.0550 51.3018 23.2896 175.3976 66 I 5.1650 8.5140 119.7040 59.5176 41.4185 174.6041 67 E 5.0287 9.1776 123.9285 54.5878 33.4087 174.0695 68 Q 4.4716 9.1498 124.6407 54.8943 30.7720 174.1145 69 V 4.5171 8.2236 127.3180 61.1250 33.8648 174.5887 70 V 4.5488 9.0998 127.3304 60.4653 34.2984 174.1070 71 G 4.2670 7.7109 117.6246 46.5785 0.0000 171.7653 72 K 5.0480 8.5225 122.7670 54.2574 35.1562 174.7747 73 L 5.0097 8.6324 124.7129 54.3241 43.7947 176.1590 74 C 4.8071 9.6265 125.5590 59.7672 26.2467 174.5914 75 G 3.9920 8.5174 106.8599 45.3240 0.0000 173.9479 76 R 4.4514 7.8955 120.0845 54.9700 31.2088 174.8757 77 Q 4.6973 9.3798 125.5774 55.4566 30.3956 174.1932 78 G 4.4627 9.0306 114.4770 46.7397 0.0000 171.9136 79 S 5.2985 8.2789 115.2030 57.6490 66.7550 173.2823 80 F 5.3871 8.2842 114.4584 57.1377 41.6097 172.5773 81 V 4.7275 8.7562 119.6106 61.1575 33.9276 174.0871 82 L 5.1874 8.6815 127.6022 53.1137 44.1259 175.0257 83 Q 5.1161 9.2844 124.9296 54.6285 32.0218 173.6956 84 H 5.5370 9.3378 123.2503 54.1163 32.3267 173.0331 85 F 5.1712 9.4616 124.3423 56.7655 42.8545 173.3728 86 G 4.5972 9.0505 113.0912 44.7629 0.0000 171.4512 87 I 5.0367 8.5927 123.5938 59.6685 42.2421 174.3494 *89 T 4.3031 8.6489 118.0788 64.4507 68.5907 173.8727 90 D 4.3309 8.4142 131.8373 55.3700 40.2043 174.8638 *93 N 4.7274 7.8446 114.0954 51.4277 39.1030 175.2571 94 R 4.8333 9.0904 122.1237 53.3790 33.8301 174.3163 95 L 5.1964 8.7171 125.1997 53.6130 45.2404 174.5811 96 H 5.0576 9.7355 126.7500 54.4287 32.5131 172.4099 97 L 5.0951 8.5304 125.2450 52.9583 44.9590 175.0831 98 E 4.9450 9.0405 124.9697 53.9160 33.3869 174.7986 99 V 4.3147 8.6668 127.2743 62.6758 32.4070 175.8485 100 V 3.7664 8.8978 129.3804 62.1658 32.4409 173.6822 101 P 4.3467 0.0000 0.0000 64.7124 31.5833 175.6445 102 H 4.1828 8.7474 117.8245 56.7004 25.9740 175.8882 103 S 4.3735 8.1975 115.8483 59.8422 63.5412 174.6572 104 G 3.8330 8.0444 111.3856 45.5615 0.0000 172.3595 105 A 4.7532 8.7217 125.6046 51.1281 23.5675 176.6476 106 G 3.9515 8.4365 106.0983 46.8868 0.0000 175.6633 107 E 4.2469 9.1308 123.6383 57.2836 29.7183 177.0526 108 L 4.7879 7.9818 119.0579 54.4602 42.1211 176.3239 109 T 4.2195 6.7656 115.9565 64.8855 68.8069 174.6053 110 G 4.0704 9.0866 113.7662 44.7414 0.0000 172.7199 111 L 4.0264 7.6238 122.2286 55.3886 42.7437 175.6690 *112 Y 4.5806 9.1076 125.8911 54.8682 42.5117 174.5975 113 G 4.4541 7.7055 111.9000 46.8917 0.0000 169.7881 114 T 5.3879 8.1732 108.0193 59.4085 72.3721 172.7697 *116 A 4.6676 8.4615 121.4219 52.5064 20.3249 175.8056 117 I 5.4451 8.1370 111.0683 60.1266 41.3718 173.6607 118 S 4.7103 8.9110 116.2775 57.8641 66.6292 173.0416 119 I 5.0369 8.2588 122.1290 59.5147 40.3594 175.0989 120 E 4.4166 9.5431 129.2624 55.9275 31.9931 176.6040 121 N 4.1021 9.7977 123.3647 53.3246 34.6772 171.9829 122 G 3.9363 7.9956 105.7292 45.9824 0.0000 172.8027 123 Q 4.2100 7.9067 122.4027 54.8315 30.2006 174.0495 124 H 4.7838 8.1840 122.4686 55.4358 30.2640 174.2503 125 F 5.5411 9.3067 121.0064 55.7956 43.0070 173.5928 126 Y 5.6600 9.1215 120.0658 55.3783 41.0180 173.9320 127 E 5.3856 9.4138 122.4841 54.5477 32.4901 174.8932 128 F 5.4586 9.7590 128.4309 56.8840 42.7988 173.4551 129 S 5.3070 9.4501 123.7087 56.9801 64.3867 173.4097 130 F 5.1653 8.4009 119.8331 55.8885 41.3900 172.8138 131 C 4.4476 8.4419 113.4196 57.6577 33.3764 172.1499 132 F 5.2734 8.5578 119.3112 56.0253 41.2980 176.1047 133 E 4.2635 9.1086 123.1972 55.7288 30.2366 172.5807 134 P 4.4363 0.0000 0.0000 62.1359 31.6544 176.1198 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 2 E 8.44 4.09 0.00 1.90 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 2.13 2.30 0.00 *4 T 7.61 3.92 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 0.96 0.00 0.00 5 K 8.41 5.06 0.00 1.55 1.70 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.32 7.81 6 V 9.06 4.87 2.31 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 0.99 0.00 0.00 1.38 0.00 0.00 7 T 7.61 5.41 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 1.23 0.00 0.00 8 G 6.85 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 9 K 7.88 5.07 0.00 1.80 1.59 0.00 1.53 0.00 0.00 1.48 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.44 1.19 7.81 10 F 8.63 5.49 0.00 2.49 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 11 D 9.08 5.13 0.00 2.62 2.58 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 0.00 0.00 0.00 0.00 12 V 8.14 4.85 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 0.52 0.00 0.00 0.95 0.00 0.00 13 K 9.27 4.53 0.00 1.74 1.62 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.29 1.36 7.81 14 L 8.57 5.19 0.00 1.50 1.55 0.89 0.89 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 15 T 8.52 4.55 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 1.21 0.00 0.00 16 P 0.00 4.49 0.00 2.08 2.06 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 17 E 8.79 4.83 0.00 1.94 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 2.23 2.39 0.00 18 N 8.65 4.56 0.00 2.67 2.74 0.00 0.00 6.93 7.96 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 19 A 8.36 4.39 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 20 Y 8.84 4.19 0.00 2.84 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 21 A 7.75 4.37 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 22 T 7.92 4.59 4.18 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 0.00 0.00 1.18 0.00 0.00 23 G 8.41 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 24 V 7.68 4.43 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 0.91 0.00 0.00 0.91 0.00 0.00 25 G 9.60 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 26 G 8.51 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 27 V 7.48 3.88 2.19 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 0.85 0.00 0.00 0.90 0.00 0.00 28 N 8.67 5.22 0.00 2.75 2.60 0.00 0.00 7.11 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 29 L 8.65 4.95 0.00 1.55 1.55 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.77 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 R 8.27 4.94 0.00 1.87 1.76 0.00 3.36 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.62 0.00 *33 A 8.29 4.51 1.26 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 0.00 0.00 34 L 8.87 5.15 0.00 1.49 1.49 0.82 0.76 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 35 D 8.99 5.29 0.00 2.51 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 36 K 9.06 4.99 0.00 1.33 0.97 0.00 1.52 0.00 0.00 0.96 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.24 7.81 37 T 8.45 4.74 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 0.75 0.00 0.00 38 F 9.24 5.03 0.00 2.78 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 39 Y 9.42 5.12 0.00 3.01 2.91 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 40 G 9.24 4.42 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 0.00 41 E 9.39 4.21 0.00 2.16 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 2.54 2.40 0.00 42 L 8.25 4.71 0.00 1.62 1.34 0.92 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.22 4.90 0.00 2.29 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 2.24 2.32 0.00 44 A 8.79 5.00 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 45 R 8.86 5.19 0.00 1.66 1.74 0.00 3.23 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 46 S 9.13 5.19 0.00 3.83 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 47 Q 8.48 4.88 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 48 G 8.20 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 49 E 7.93 4.35 0.00 1.88 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 0.00 2.20 2.25 0.00 *51 L 8.44 4.68 0.00 1.63 1.63 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.80 5.02 0.00 3.73 4.07 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 53 A 8.66 4.94 1.08 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 0.00 0.00 *55 T 8.27 4.16 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 1.20 0.00 0.00 56 A 8.40 4.23 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 57 V 7.39 4.33 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 1.00 0.00 0.00 0.93 0.00 0.00 58 K 8.52 4.03 0.00 2.17 1.81 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.01 7.81 59 G 8.98 3.88 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 0.00 0.00 0.00 60 S 7.55 4.89 0.00 3.97 3.75 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 61 A 8.03 4.41 1.06 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 0.00 0.00 62 G 8.72 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 63 Y 8.62 5.37 0.00 2.92 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 64 V 8.97 5.10 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 0.64 0.00 0.00 0.95 0.00 0.00 65 A 8.55 4.82 1.06 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 0.00 0.00 66 I 8.51 5.16 1.87 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 1.31 0.68 0.91 0.00 0.00 67 E 9.18 5.03 0.00 1.91 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 2.33 2.13 0.00 68 Q 9.15 4.47 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 69 V 8.22 4.52 0.68 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 0.31 0.00 0.00 0.31 0.00 0.00 70 V 9.10 4.55 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 1.00 0.00 0.00 0.86 0.00 0.00 71 G 7.71 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 0.00 0.00 0.00 0.00 72 K 8.52 5.05 0.00 1.91 1.71 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.02 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.20 7.81 73 L 8.63 5.01 0.00 1.65 1.44 0.74 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 74 C 9.63 4.81 0.00 3.22 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 75 G 8.52 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.90 4.45 0.00 1.98 1.82 0.00 2.99 0.00 0.00 3.04 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 77 Q 9.38 4.70 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 78 G 9.03 4.46 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 0.00 79 S 8.28 5.30 0.00 3.93 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 80 F 8.28 5.39 0.00 3.06 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 81 V 8.76 4.73 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 1.12 0.00 0.00 0.92 0.00 0.00 82 L 8.68 5.19 0.00 1.58 1.50 0.64 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 9.28 5.12 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 84 H 9.34 5.54 0.00 3.20 3.22 0.00 5.64 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 85 F 9.46 5.17 0.00 3.08 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 86 G 9.05 4.60 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 0.00 0.00 0.00 87 I 8.59 5.04 1.95 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 0.99 1.21 0.93 0.00 0.00 *89 T 8.65 4.30 4.26 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 1.22 0.00 0.00 90 D 8.41 4.33 0.00 3.00 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 *93 N 7.84 4.73 0.00 2.79 2.70 0.00 0.00 6.43 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 94 R 9.09 4.83 0.00 1.96 1.96 0.00 3.16 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 95 L 8.72 5.20 0.00 1.66 1.58 1.08 1.06 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 96 H 9.74 5.06 0.00 3.29 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.53 5.10 0.00 1.53 1.37 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 98 E 9.04 4.95 0.00 1.71 1.65 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 2.18 2.21 0.00 99 V 8.67 4.31 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 0.80 0.00 0.00 0.99 0.00 0.00 100 V 8.90 3.77 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 0.91 0.00 0.00 0.96 0.00 0.00 101 P 0.00 4.35 0.00 2.09 1.94 0.00 3.88 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 102 H 8.75 4.18 0.00 3.32 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.20 4.37 0.00 4.07 4.18 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 0.00 0.00 0.00 104 G 8.04 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 0.00 105 A 8.72 4.75 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 0.00 106 G 8.44 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 0.00 0.00 0.00 107 E 9.13 4.25 0.00 2.11 1.93 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 2.31 2.35 0.00 108 L 7.98 4.79 0.00 2.00 1.81 1.11 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 109 T 6.77 4.22 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 1.26 0.00 0.00 110 G 9.09 4.07 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 0.00 0.00 0.00 111 L 7.62 4.03 0.00 1.77 1.47 0.05 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 *112 Y 9.11 4.58 0.00 2.38 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 0.00 0.00 0.00 113 G 7.71 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 0.00 114 T 8.17 5.39 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 1.27 0.00 0.00 *116 A 8.46 4.67 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 0.00 117 I 8.14 5.45 2.23 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 1.14 0.00 0.00 118 S 8.91 4.71 0.00 3.98 3.79 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 0.00 119 I 8.26 5.04 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.74 0.79 0.00 0.00 120 E 9.54 4.42 0.00 2.20 1.90 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 2.19 2.18 0.00 121 N 9.80 4.10 0.00 2.87 2.70 0.00 0.00 6.95 7.51 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 0.00 122 G 8.00 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 0.00 0.00 0.00 123 Q 7.91 4.21 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.95 0.00 0.00 0.00 0.00 0.00 1.68 1.44 0.00 124 H 8.18 4.78 0.00 2.28 1.61 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.31 5.54 0.00 2.91 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 0.00 126 Y 9.12 5.66 0.00 3.22 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 0.00 127 E 9.41 5.39 0.00 2.04 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 2.47 2.43 0.00 128 F 9.76 5.46 0.00 3.16 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 0.00 129 S 9.45 5.31 0.00 3.84 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 0.00 130 F 8.40 5.17 0.00 2.25 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 0.00 0.00 0.00 131 C 8.44 4.45 0.00 2.88 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 0.00 132 F 8.56 5.27 0.00 2.94 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 0.00 133 E 9.11 4.26 0.00 1.73 1.75 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 2.26 2.13 0.00 134 P 0.00 4.44 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.