NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5829 8.3649 120.1951 54.6527 41.2478 174.9347 7 T 4.1227 8.2891 123.0009 62.7053 69.1989 174.0229 8 K 3.8387 8.7196 125.1579 56.5945 33.8434 175.8629 9 L 4.6097 8.1156 126.5427 53.7275 42.7506 176.0103 10 Y 4.4450 8.9154 122.9036 57.3157 40.3995 175.8168 11 C 3.9835 8.8334 123.0323 58.3363 32.2615 173.6057 12 I 3.9807 8.5815 113.5044 63.6504 37.3314 176.7622 13 C 4.2816 8.2473 113.5968 58.2629 30.3386 173.1944 14 K 3.9096 7.5310 119.6205 57.9213 29.4143 173.8638 15 T 4.8108 8.0224 108.9627 58.7420 72.4040 172.9450 16 P 4.9331 0.0000 0.0000 62.2334 32.0045 175.9520 17 Y 4.1661 8.8348 121.7337 58.0791 39.1690 174.6795 18 D 4.7173 8.6827 126.7660 52.0572 41.7700 176.0949 19 E 3.5490 8.2443 126.7833 58.1023 29.5248 178.6563 20 S 4.4010 8.1264 111.3330 58.7534 63.6770 174.0886 21 K 4.6402 7.8638 120.8246 54.4762 34.3739 175.3128 22 F 4.7982 8.5560 124.0371 58.3283 40.4563 173.8351 23 Y 4.9654 8.3728 122.4621 56.0196 41.7068 174.5538 24 I 4.5631 8.8957 121.9380 59.1894 41.4511 174.2574 25 G 3.3240 8.4777 115.7213 44.7352 0.0000 172.4394 26 C 4.8053 8.4304 125.1877 58.6172 32.3519 174.1358 27 D 4.5690 9.0093 126.4339 56.0699 40.9985 177.7817 28 R 4.0643 7.9342 119.3742 58.6574 30.3121 176.7273 29 C 4.3797 7.8864 110.3912 57.4909 30.6958 174.4888 30 Q 3.5628 8.0797 118.0625 56.7000 26.4599 172.7837 31 N 4.8422 7.3788 118.2903 52.7014 41.2546 173.4118 32 W 5.1807 8.5858 119.4569 54.9297 32.7833 174.5124 33 Y 5.1392 9.1688 120.8884 56.1124 41.6943 174.8191 34 H 3.9652 8.8595 120.5429 55.7803 29.5711 176.3148 35 G 3.9987 8.7088 112.3932 47.4486 0.0000 175.7176 36 R 4.0401 8.0391 120.5453 59.3703 29.9269 178.2280 37 C 4.3091 8.0268 115.0270 61.7150 28.1107 174.8498 38 V 4.2542 7.5607 111.0997 60.5704 31.8387 175.6635 39 G 3.9121 7.8396 107.4271 46.5133 0.0000 173.6303 40 I 4.4685 8.1382 120.9932 59.0939 39.1630 175.2386 41 L 4.4527 8.2202 125.0281 53.4480 43.8341 177.6002 42 Q 2.6800 8.1266 123.7073 59.1337 29.3139 178.9400 43 S 4.4215 7.7231 115.8496 60.8513 62.9326 175.9264 44 E 3.9886 7.9492 122.2524 58.9634 29.5128 178.2394 45 A 4.0363 8.1969 121.1063 55.4064 17.8350 179.4192 46 E 3.9921 7.8932 115.6093 59.1015 29.2821 178.6231 47 L 4.3785 7.8051 116.6593 54.2301 42.3637 176.4533 48 I 4.3604 7.1819 120.8677 59.7745 38.9913 173.0143 49 D 4.2505 8.6751 125.4103 55.6298 40.4079 176.1612 50 E 4.4248 8.7812 116.6729 56.0934 31.3817 175.2370 51 Y 4.8466 9.3785 128.1022 55.7064 41.8383 174.2005 52 V 4.1176 7.2030 125.5775 60.6278 33.9411 175.0490 53 C 4.1067 7.9432 121.7491 56.3935 30.6611 172.6164 54 P 4.1178 0.0000 0.0000 65.9958 30.7926 179.0256 55 Q 3.9439 7.7728 116.0578 59.1908 28.6530 178.4276 56 C 4.1221 7.8401 117.2747 62.7673 28.2228 175.7469 57 Q 3.8610 8.2518 121.5040 59.1561 28.4918 178.5750 58 S 4.0937 8.1936 116.2634 61.9170 62.6734 176.7615 59 T 3.8463 7.6934 117.1155 66.7133 68.2414 176.2652 60 E 4.0957 8.2127 119.7489 59.3942 29.5095 178.8861 61 D 4.5045 7.9385 117.9045 56.9922 41.1218 179.8392 62 A 4.2165 7.9695 121.3859 52.1400 18.5105 178.6832 *64 T 4.3506 7.8970 113.2124 63.2378 70.8996 175.3318 65 V 3.9388 7.6126 113.2188 62.0666 32.0763 177.0732 66 L 4.5260 7.6808 118.2788 55.0649 42.9174 176.9427 67 T 4.2313 7.6393 108.0888 60.2375 69.6683 172.4402 68 P 4.6603 0.0000 0.0000 62.9361 32.0981 176.0615 69 L 4.5992 8.4940 124.2578 54.9342 42.5780 177.1891 70 T 4.4619 9.3852 114.7583 60.4309 71.4371 175.7090 71 E 4.0786 8.7833 120.1967 59.4458 29.4254 179.7352 72 K 4.0115 8.0037 118.1770 59.4596 32.1285 178.7962 73 D 4.1704 8.0661 119.1708 57.7716 40.7757 178.6138 74 Y 3.7476 8.2799 117.0199 61.0060 37.8480 178.5840 75 E 4.2045 8.2868 119.4795 59.2671 29.5072 179.6115 76 G 3.7021 8.0192 105.7129 47.7050 0.0000 175.8103 77 L 3.6079 8.1815 121.5693 57.3369 41.4522 179.5604 78 K 4.0487 8.1756 119.6150 59.4533 32.1538 179.1490 79 R 3.9740 7.9698 118.3552 59.2296 30.0671 179.1906 80 V 3.7201 8.3396 118.4198 65.9116 31.5015 177.6045 81 L 4.0880 8.3769 120.3528 58.5782 41.9975 179.2379 82 R 4.4413 8.6610 119.5965 58.8042 29.7545 179.2334 83 S 4.3254 8.1955 113.3204 61.3699 63.2669 176.4089 84 L 4.2857 8.0998 122.5955 57.8924 41.3531 179.4144 85 Q 4.1247 8.5776 117.9266 58.4824 28.4197 177.8713 86 A 4.3985 7.7936 119.2856 51.9746 19.4426 177.0499 87 H 4.1677 7.5320 117.9428 55.4616 30.4160 177.1380 88 K 4.0803 8.2365 125.5471 56.3885 31.1865 177.8681 *90 A 4.5620 8.0957 122.4681 51.2991 20.4950 179.3260 91 W 4.3909 8.5199 112.3904 59.1963 27.8064 175.8297 92 P 3.8674 0.0000 0.0000 63.7203 30.8727 176.7054 93 F 4.8993 7.5518 116.1861 57.0018 39.5688 177.3515 94 L 4.0382 7.9112 123.0822 57.2045 41.6607 176.5690 95 E 4.8255 7.6433 114.9776 53.3743 33.6569 173.1854 96 P 4.3322 0.0000 0.0000 62.5588 31.8879 177.0097 97 V 3.3928 8.0121 121.1680 62.8944 32.1618 174.7653 98 D 4.7413 8.2781 125.5586 52.2241 42.1237 174.9676 99 P 4.4370 0.0000 0.0000 66.0321 31.4945 178.2340 100 N 4.5145 8.3692 113.9091 55.4487 38.5374 175.5453 101 D 4.5459 8.3746 116.9058 54.4758 42.1571 176.1352 102 A 4.5759 7.6068 120.9668 49.1259 20.1190 173.2966 103 P 4.4657 0.0000 0.0000 65.3228 31.8568 175.9865 104 D 4.5085 9.1837 121.2828 54.9896 40.2289 174.5914 105 Y 3.6605 8.0173 118.8908 60.5170 38.5250 177.8016 106 Y 4.0348 8.0284 113.3575 59.1270 38.1243 176.4476 107 G 4.1422 8.0348 108.0377 45.3544 0.0000 174.8577 108 V 4.0356 7.5641 118.1494 63.8155 32.8096 175.4331 109 I 4.0770 7.3756 121.9109 59.6736 36.9008 175.7539 110 K 4.2684 8.3640 125.1045 57.5205 32.7217 177.5029 111 E 4.5819 7.5091 117.4964 53.3536 29.6485 172.7680 112 P 4.3612 0.0000 0.0000 62.1255 32.6699 175.7348 *114 D 4.3803 8.1001 117.4848 52.8005 40.1641 175.6164 115 L 3.9977 8.5762 119.3120 57.6444 42.0152 179.1610 116 A 4.1615 8.1015 121.8257 55.5671 18.6213 180.3881 117 T 3.8210 8.2027 110.3881 64.1590 67.9983 175.9788 *119 E 4.3614 8.2929 124.6869 56.3084 31.5957 177.4263 120 E 4.0067 8.2977 119.0227 59.2999 29.6084 178.9874 121 R 3.8333 8.1022 118.2281 59.1318 30.0493 179.2369 122 V 4.1599 8.0347 117.7047 66.1423 31.4618 177.6339 123 Q 4.1127 8.2350 118.6418 58.7338 28.9147 177.5462 124 R 4.4327 7.8553 114.5704 55.1046 30.6652 176.3545 125 R 3.7472 7.8400 115.7313 57.9725 28.2498 177.0404 126 Y 4.0933 8.5711 119.7816 60.4557 39.3109 175.6270 127 Y 4.6787 7.8367 117.3039 57.7001 38.8374 175.0648 128 E 4.7218 9.8111 122.9904 56.4729 31.8231 176.1022 129 K 5.0671 7.8670 116.8066 53.3148 36.4038 176.7327 130 L 3.8843 8.6724 123.0664 58.7155 41.8675 179.2725 131 T 3.8343 8.0544 112.9639 65.2765 67.1484 175.8659 132 E 4.1000 8.2963 120.5477 59.1394 29.3070 178.9824 133 F 3.1268 7.9471 119.3253 61.0261 39.5811 176.8301 134 V 3.7799 7.9257 116.5340 65.8755 31.5786 177.4850 135 A 4.1632 8.1270 120.5288 55.1389 18.0724 180.1174 136 D 4.1072 7.6794 114.2454 55.4735 40.5754 178.5778 *138 T 4.2375 7.9059 118.8534 63.4758 70.7252 176.2745 139 K 3.7930 7.7196 121.9850 59.3740 32.1846 178.8294 140 I 3.4102 6.9013 119.8975 64.3868 36.9485 178.5097 141 F 4.2094 6.9431 117.8956 60.5919 38.8034 177.4701 142 D 4.3837 8.4495 119.0179 57.2674 40.5316 178.5951 143 N 4.3349 8.4496 117.4871 56.4076 38.5275 176.9607 144 C 4.2907 7.9718 119.5779 62.7738 31.5270 175.8900 145 R 3.7458 7.9390 117.9140 58.5719 29.5765 177.8022 146 Y 4.3565 7.5965 118.5275 60.1980 39.1284 176.3960 147 Y 4.1251 8.3190 119.6424 59.1997 39.4149 175.2740 148 N 4.8475 7.7949 116.0084 50.6026 40.6540 173.2631 149 P 4.4361 0.0000 0.0000 62.4559 32.0131 177.6416 150 S 2.7900 8.3506 114.5198 60.2249 62.8342 174.6637 151 D 4.6370 7.6852 118.4063 53.0163 39.7736 176.5857 152 S 4.5148 7.9159 115.5581 57.4161 64.3772 173.1473 153 P 4.3863 0.0000 0.0000 65.7661 31.0618 178.9067 154 F 4.0164 8.0792 117.6500 60.6031 38.9592 176.7747 155 Y 4.1299 8.3198 118.6954 61.0274 38.6383 178.1032 156 Q 4.2219 8.4645 118.9735 59.1359 28.7126 178.4240 157 C 4.1853 8.5256 118.0152 62.7769 28.1390 176.0367 158 A 3.8432 8.1304 121.9688 54.9417 18.0448 179.5488 159 E 3.7389 7.9159 116.8198 59.4584 29.5369 179.7946 160 V 3.5733 7.8693 118.1815 66.0927 31.6860 178.0976 161 L 3.8688 7.9089 118.8779 57.6404 41.3059 179.1767 162 E 3.3974 7.2685 119.2529 58.9229 29.3132 178.7816 163 S 4.0299 7.7680 112.8158 61.2485 62.4632 175.9262 164 F 4.0726 8.4174 123.4613 61.1777 39.2921 176.8326 165 F 4.3063 8.9279 120.6596 61.3993 39.0257 177.0570 166 V 3.2546 7.7843 116.7617 66.0519 31.5825 177.4830 167 Q 3.9539 7.6523 119.1998 59.1047 28.6975 178.2566 168 K 3.8038 7.4893 118.2702 58.9043 32.4135 178.3423 169 L 4.0667 7.4128 119.2113 55.0094 42.0788 176.6148 170 K 4.0390 7.1170 118.7539 58.1044 32.2954 176.7588 171 G 3.9064 8.8740 111.0191 46.5128 0.0000 174.6734 172 F 4.1846 8.3022 122.8315 60.3018 39.5506 175.3040 173 K 3.9967 7.9647 122.4078 56.3720 32.3284 175.9033 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 6 D 8.36 4.58 0.00 2.68 2.77 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 7 T 8.29 4.12 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 8 K 8.72 3.84 0.00 1.56 1.35 0.00 1.56 0.00 0.00 1.04 0.00 0.00 2.57 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.55 1.08 7.81 9 L 8.12 4.61 0.00 1.49 1.59 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.92 4.44 0.00 3.01 3.13 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 11 C 8.83 3.98 0.00 3.20 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 12 I 8.58 3.98 1.99 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 1.66 0.83 1.23 0.00 0.00 13 C 8.25 4.28 0.00 3.18 3.18 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 14 K 7.53 3.91 0.00 1.86 1.87 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.52 7.81 15 T 8.02 4.81 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 1.31 0.00 0.00 16 P 0.00 4.93 0.00 2.13 2.10 0.00 3.76 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 2.07 2.11 0.00 17 Y 8.83 4.17 0.00 2.76 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 18 D 8.68 4.72 0.00 2.74 2.61 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 19 E 8.24 3.55 0.00 1.74 1.89 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 2.35 2.19 0.00 20 S 8.13 4.40 0.00 3.98 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 21 K 7.86 4.64 0.00 1.87 1.64 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.32 7.81 22 F 8.56 4.80 0.00 3.27 2.96 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 0.00 0.00 0.00 23 Y 8.37 4.97 0.00 2.68 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 24 I 8.90 4.56 1.57 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.62 0.59 0.00 0.00 25 G 8.48 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.43 4.81 0.00 3.23 2.94 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 27 D 9.01 4.57 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 28 R 7.93 4.06 0.00 1.65 1.87 0.00 3.23 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 29 C 7.89 4.38 0.00 3.17 3.17 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 30 Q 8.08 3.56 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 31 N 7.38 4.84 0.00 2.79 2.57 0.00 0.00 7.00 7.83 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 32 W 8.59 5.18 0.00 2.97 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 33 Y 9.17 5.14 0.00 3.02 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 34 H 8.86 3.97 0.00 3.06 3.06 0.00 5.67 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 35 G 8.71 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 0.00 0.00 0.00 36 R 8.04 4.04 0.00 1.91 1.94 0.00 3.18 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 37 C 8.03 4.31 0.00 3.29 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 38 V 7.56 4.25 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 0.64 0.00 0.00 1.08 0.00 0.00 39 G 7.84 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 0.00 0.00 0.00 40 I 8.14 4.47 1.88 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 1.32 1.05 0.95 0.00 0.00 41 L 8.22 4.45 0.00 1.66 1.50 0.91 0.72 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 42 Q 8.13 2.68 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.08 0.00 0.00 0.00 0.00 0.00 1.96 1.50 0.00 43 S 7.72 4.42 0.00 4.03 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 44 E 7.95 3.99 0.00 2.04 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 2.39 2.38 0.00 45 A 8.20 4.04 1.54 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 46 E 7.89 3.99 0.00 2.20 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 2.33 2.50 0.00 47 L 7.81 4.38 0.00 1.77 1.72 0.92 0.71 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 48 I 7.18 4.36 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 1.05 0.00 0.00 49 D 8.68 4.25 0.00 2.63 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 50 E 8.78 4.42 0.00 2.03 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 2.26 2.42 0.00 51 Y 9.38 4.85 0.00 3.07 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 52 V 7.20 4.12 1.80 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 0.70 0.00 0.00 0.78 0.00 0.00 53 C 7.94 4.11 0.00 2.34 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 54 P 0.00 4.12 0.00 2.08 2.10 0.00 3.27 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 2.05 2.15 0.00 55 Q 7.77 3.94 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 56 C 7.84 4.12 0.00 2.96 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 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0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.64 4.23 4.25 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 1.22 0.00 0.00 68 P 0.00 4.66 0.00 1.99 2.06 0.00 3.69 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 2.04 2.14 0.00 69 L 8.49 4.60 0.00 1.82 1.75 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.39 4.46 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 1.23 0.00 0.00 71 E 8.78 4.08 0.00 2.02 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 2.40 2.34 0.00 72 K 8.00 4.01 0.00 1.72 1.78 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.44 7.81 73 D 8.07 4.17 0.00 3.07 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 74 Y 8.28 3.75 0.00 3.26 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.43 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.44 0.00 93 F 7.55 4.90 0.00 3.00 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 94 L 7.91 4.04 0.00 1.75 1.76 1.00 0.97 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 95 E 7.64 4.83 0.00 1.89 1.80 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 2.22 2.26 0.00 96 P 0.00 4.33 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.32 0.00 97 V 8.01 3.39 1.11 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 -0.01 0.00 0.00 0.04 0.00 0.00 98 D 8.28 4.74 0.00 2.69 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 99 P 0.00 4.44 0.00 2.27 2.25 0.00 3.69 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 100 N 8.37 4.51 0.00 2.82 2.90 0.00 0.00 7.01 8.15 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.68 4.11 0.00 2.68 2.50 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 *138 T 7.91 4.24 4.30 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 1.25 0.00 0.00 139 K 7.72 3.79 0.00 1.87 1.82 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.38 7.81 140 I 6.90 3.41 0.75 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.21 0.00 0.00 141 F 6.94 4.21 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.45 4.38 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 143 N 8.45 4.33 0.00 2.88 2.90 0.00 0.00 6.63 7.35 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 0.00 144 C 7.97 4.29 0.00 3.34 3.17 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 0.00 145 R 7.94 3.75 0.00 1.89 1.93 0.00 2.80 0.00 0.00 2.65 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 146 Y 7.60 4.36 0.00 3.05 3.15 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 0.00 0.00 0.00 0.00 147 Y 8.32 4.13 0.00 3.00 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 0.00 148 N 7.79 4.85 0.00 3.07 2.92 0.00 0.00 7.09 7.55 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 0.00 149 P 0.00 4.44 0.00 2.36 2.12 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 150 S 8.35 2.79 0.00 3.43 3.51 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 0.00 0.00 0.00 0.00 151 D 7.69 4.64 0.00 2.75 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 0.00 152 S 7.92 4.51 0.00 4.06 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 0.00 153 P 0.00 4.39 0.00 2.23 2.29 0.00 3.82 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 1.89 2.02 0.00 154 F 8.08 4.02 0.00 3.25 3.13 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 0.00 155 Y 8.32 4.13 0.00 3.24 3.15 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 0.00 0.00 0.00 0.00 156 Q 8.46 4.22 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 157 C 8.53 4.19 0.00 3.20 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 0.00 158 A 8.13 3.84 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.92 3.74 0.00 2.25 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 2.49 2.65 0.00 160 V 7.87 3.57 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 1.08 0.00 0.00 1.03 0.00 0.00 161 L 7.91 3.87 0.00 1.73 1.51 1.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.27 3.40 0.00 1.16 1.49 0.00 0.00 0.00 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 2.33 0.00 163 S 7.77 4.03 0.00 4.01 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 0.00 164 F 8.42 4.07 0.00 3.30 3.25 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 0.00 165 F 8.93 4.31 0.00 3.32 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 0.00 166 V 7.78 3.25 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 0.77 0.00 0.00 1.01 0.00 0.00 167 Q 7.65 3.95 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 168 K 7.49 3.80 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.59 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.07 1.52 7.81 169 L 7.41 4.07 0.00 1.31 1.30 0.39 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 170 K 7.12 4.04 0.00 1.88 1.70 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.50 7.81 171 G 8.87 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 0.00 0.00 0.00 172 F 8.30 4.18 0.00 3.12 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 0.00 173 K 7.96 4.00 0.00 1.78 1.63 0.00 2.00 0.00 0.00 2.03 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.70 7.81 * Residues marked with a * may have inaccurate shift predictions.