NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1877 8.1627 120.2793 54.6992 33.2494 174.0002 2 K 3.9685 8.5312 128.2663 56.2816 32.7164 175.0755 3 G 4.0119 8.6153 116.1731 44.8700 0.0000 171.3738 4 D 4.6740 8.4360 119.2490 54.0423 42.0351 177.2103 5 T 3.8578 8.9312 123.0789 66.9729 68.5497 176.5357 6 K 3.7885 8.1405 120.7100 59.0800 32.1872 178.8583 7 V 3.8660 8.4992 118.8633 66.2456 31.4491 177.9469 8 I 3.7816 7.7358 119.3263 64.5136 36.9231 178.0879 9 N 4.2337 8.3241 117.2581 56.4952 38.3856 177.0043 10 Y 4.1098 8.0103 117.9403 61.1356 38.0310 178.4645 11 L 3.8574 8.5768 120.1359 58.1445 41.6835 179.5480 12 N 4.3285 8.4612 116.4740 56.0156 38.4482 177.4568 13 K 3.8636 8.0044 121.0431 59.3947 32.3139 178.8377 14 L 3.8115 8.2348 119.5645 57.6843 41.4966 179.0349 15 L 4.0152 7.8095 120.6905 58.2759 41.8520 179.3168 16 G 3.6138 8.1896 105.6726 47.8714 0.0000 175.4106 17 N 4.3817 8.0273 118.9119 56.0727 38.5077 177.2985 18 E 4.1095 8.3227 120.2408 59.2759 29.1547 178.9981 19 L 4.3154 8.0713 118.6817 57.2075 40.8106 179.4161 20 V 3.6034 7.6950 120.5692 64.8255 31.4671 177.9896 21 A 3.9021 8.0558 121.7477 54.8628 18.2122 179.4025 22 I 3.7560 8.2031 118.5934 64.9540 37.1859 178.4567 23 N 4.4208 7.8912 116.1557 56.2678 38.3147 177.4495 24 Q 3.8329 8.3379 121.2140 59.3816 29.0916 177.8132 25 Y 4.2955 8.5198 118.2469 60.9651 37.9691 178.3319 26 F 3.9026 8.4748 121.7359 61.0240 39.6162 176.9310 27 L 3.9318 8.2603 120.0730 58.5664 41.8756 178.3194 28 H 3.7800 8.2626 116.0966 58.9382 28.6766 177.2847 29 A 4.1550 8.1035 122.2329 55.4869 18.2597 179.6580 30 R 3.9399 7.6042 114.9148 58.1590 30.2516 179.1684 31 M 3.4375 7.5021 119.2921 58.1023 31.9155 178.3793 32 F 4.6067 7.4373 117.9542 60.6524 39.1413 177.6662 33 K 3.9405 8.1748 119.0954 59.4680 31.7717 178.2208 34 N 4.2783 7.7285 116.0801 56.5729 39.0079 176.3867 35 W 4.7541 7.8300 117.1905 57.4280 29.0963 177.2246 36 G 3.9849 8.3183 108.1925 46.1849 0.0000 174.2887 37 L 4.6934 7.8842 121.8331 52.7236 38.1713 177.0537 38 K 3.8159 7.9733 122.8565 60.0190 32.6285 177.3860 39 R 3.9817 8.3772 118.9145 59.0807 29.9831 178.3892 40 L 4.1371 7.8656 118.7668 57.2566 41.5348 178.8457 41 N 4.5605 8.1610 116.7283 56.8328 39.0435 176.3168 42 D 4.3702 8.0415 120.2962 57.5687 40.9475 179.2435 43 V 3.3485 7.6290 118.1951 65.8686 31.5164 177.7508 44 E 3.8447 8.3644 119.1946 59.1422 29.5305 177.9757 45 Y 3.9821 8.4748 120.1940 61.0609 38.8963 177.7114 46 H 3.9764 8.1874 118.9969 59.2089 29.8424 177.0568 47 E 3.5483 7.7316 120.4759 58.6348 29.1263 178.8993 48 S 4.0424 7.6338 113.4070 61.5304 62.3986 176.3602 49 I 3.5141 7.1638 122.1117 64.3002 36.7874 177.9603 50 D 4.1743 7.6967 119.5779 57.6069 40.6271 178.8627 51 E 4.0064 8.1137 118.7607 59.6888 29.3703 179.4723 52 M 4.0447 7.9466 118.7141 58.3125 32.0221 178.8608 53 K 3.9485 7.9976 118.6317 59.6482 32.1801 179.0419 54 H 4.0782 8.2398 116.1730 58.7995 28.6036 177.4961 55 A 4.2176 8.2275 122.5727 55.4023 18.2560 178.9081 56 D 4.3016 8.4652 116.8047 57.7267 41.2122 178.8077 57 R 3.8616 7.9207 118.2017 59.4710 30.0614 178.5185 58 Y 4.3335 7.6914 116.3086 61.3144 37.9203 178.8712 59 I 3.7680 8.1513 120.7499 64.7032 37.2732 178.4707 60 E 4.0601 8.3734 119.2563 59.0889 29.1538 179.5337 61 R 4.0408 8.1007 118.9516 59.5130 30.1950 178.3618 62 I 3.7678 8.4429 119.9571 64.6409 37.1449 178.4269 63 L 4.0248 8.1634 119.6218 57.7554 41.2215 179.3721 64 F 4.3607 8.1445 119.7160 61.1399 39.6852 176.4265 65 L 4.3623 8.1423 117.9524 53.8580 41.2148 177.1248 66 E 3.8875 8.0048 117.6300 57.4220 27.0299 174.5134 67 G 3.9387 8.1537 108.1729 44.0442 0.0000 173.7426 68 L 4.5153 8.0137 119.0229 52.0378 42.0200 175.2368 69 P 4.4169 0.0000 0.0000 62.4876 31.7671 175.8310 70 N 4.7413 9.6480 122.4056 52.3509 39.0144 173.8749 71 L 4.6489 8.2747 124.2757 54.6508 42.5502 177.9857 72 Q 4.0888 8.5511 119.8600 58.7438 28.8308 176.4580 73 D 4.6597 8.0472 116.5676 53.0223 41.8793 175.4217 74 L 4.6130 8.2605 125.2676 52.6990 44.2749 176.3433 75 G 3.7978 8.4890 114.9490 44.6586 0.0000 172.3151 76 K 4.0219 8.3100 120.6669 55.9947 32.2970 176.2680 77 L 4.0732 8.4176 127.0616 54.3863 42.2210 176.0404 78 N 4.7798 8.7931 122.2386 51.9123 39.5338 173.2333 79 I 4.3482 8.1676 126.5728 59.6124 38.7278 176.6210 80 G 4.0415 8.6131 114.0798 44.9613 0.0000 172.7522 81 E 4.6676 8.7944 116.8867 56.4916 31.0195 176.5245 82 D 4.9641 7.6647 117.6253 50.2747 44.0268 175.9913 83 V 4.0341 8.5595 119.7021 66.7387 31.4000 177.6443 84 E 3.8133 8.2065 117.9052 59.4657 29.5855 178.0013 85 E 3.9840 8.5479 119.3935 59.6668 29.5813 178.8897 86 M 4.0886 8.5464 117.2300 58.3198 31.4270 178.5327 87 L 4.1280 8.5886 120.6223 57.6042 41.8911 179.5202 88 R 3.9066 8.6673 118.9183 59.3275 30.0711 178.5810 89 S 4.1130 8.2689 113.1622 61.3865 62.3312 175.8256 90 D 4.2265 8.1768 121.7049 57.0967 40.4542 178.4521 91 L 3.9889 8.1848 120.6351 58.3151 42.1683 178.9736 92 A 3.9848 7.9515 120.4239 54.9789 18.2237 179.4319 93 L 3.9348 7.8627 118.5952 58.1696 42.0957 178.9107 94 E 4.0598 8.5390 118.9272 59.5168 29.4769 179.2767 95 L 4.0252 8.1974 119.0807 58.0270 41.7627 179.4181 96 D 4.4831 8.3592 118.8564 57.3400 40.7862 179.0315 97 G 3.6878 8.3496 106.0485 47.7677 0.0000 175.5946 98 A 4.0520 8.3447 123.4259 54.6471 18.4811 179.4585 99 K 3.8230 8.0933 118.1921 59.9904 32.2570 178.6996 100 N 4.4125 8.1142 116.3861 56.2405 38.3438 177.4519 101 L 3.9710 8.0849 120.3435 57.8890 41.7555 179.5655 102 R 3.8912 8.1516 118.1217 59.2866 30.0609 178.7786 103 E 3.8495 8.0353 118.1160 59.3038 29.7331 178.7279 104 A 2.8038 7.7810 120.7982 54.7297 18.3311 179.7056 105 I 3.7324 7.9307 118.6543 64.4696 36.9672 178.9161 106 G 3.5941 7.6276 105.0272 47.8079 0.0000 174.9119 107 Y 4.0654 7.8326 121.5061 60.3459 38.8643 177.4374 108 A 3.8184 8.3519 122.1927 55.4822 18.5303 179.1289 109 D 4.0429 7.9190 116.3746 57.2302 41.0866 178.2788 110 S 4.1799 7.4583 113.1216 59.9226 63.3328 175.6879 111 V 3.9265 6.7780 114.2173 60.7531 31.5786 175.4988 112 H 2.9424 6.9015 113.4104 56.8073 26.9825 176.4392 113 D 4.5253 7.3549 121.4001 53.3342 37.8089 176.1642 114 Y 4.2985 7.4035 121.5347 60.5107 38.3706 178.1863 115 V 3.7236 7.8640 119.9456 64.6977 31.7667 178.3303 116 S 4.1626 8.2587 115.6144 61.4968 62.6452 176.6497 117 R 3.8812 8.1009 121.1393 59.4877 29.9080 178.0759 118 D 4.2935 8.3904 118.0613 57.4904 41.2723 177.6543 119 M 3.9795 8.3642 119.1180 59.2104 32.1153 178.1990 120 M 4.1484 8.3101 118.8438 58.3683 32.1043 178.8370 121 I 3.7405 8.1444 120.4287 64.2343 37.3382 178.3220 122 E 3.9572 8.0963 119.1474 59.4838 29.3392 179.4243 123 I 3.5775 7.6403 119.8029 64.2577 37.0500 178.2409 124 L 3.9778 8.2710 121.5578 58.0966 42.0090 178.9525 125 R 3.8920 8.0646 118.7182 59.5461 29.9836 178.2578 126 D 4.3475 7.9440 118.3458 57.2779 40.7939 178.6821 127 E 3.9124 8.1661 119.0744 59.4093 29.4526 178.6774 128 E 4.0975 8.5818 119.8990 59.4381 29.5274 179.1991 129 G 3.6578 7.9317 105.0420 48.2427 0.0000 175.2953 130 H 4.4352 8.1154 119.0940 58.6019 28.6591 177.8839 131 I 3.8185 8.4090 121.9179 64.5612 37.0126 177.7361 132 D 4.3810 8.4329 118.9904 57.2055 40.9214 178.1583 133 W 4.1406 8.5328 128.5741 60.5275 30.7347 177.5242 134 L 3.6912 8.2797 118.8376 58.0950 41.1810 179.4333 135 E 3.9027 8.3725 118.1940 59.8353 29.3262 179.7693 136 T 3.8021 7.8034 115.4918 66.5391 68.5114 176.5764 137 E 3.7733 7.7341 120.4927 59.4102 28.9080 179.4240 138 L 3.7607 7.8104 118.9926 57.9471 41.5805 179.4431 139 D 4.3312 8.1306 118.7309 57.2337 40.6112 178.8247 140 L 3.9746 8.0320 119.8597 57.7117 41.6609 179.4894 141 I 3.3775 7.5035 119.8517 64.3489 36.7217 178.2850 142 Q 3.9272 7.3938 118.4375 58.8941 28.9458 178.0180 143 K 4.1264 8.0517 119.2015 59.1300 32.3187 178.4722 144 M 4.3824 8.3190 114.4667 54.1585 32.3626 177.3298 145 G 4.0741 7.5402 104.9576 45.8052 0.0000 174.4368 146 L 3.9845 8.3407 120.5449 57.9726 42.1133 179.2128 147 Q 3.9949 8.0202 117.5119 59.2411 28.7942 178.5128 148 N 4.3462 8.1353 116.9066 56.2807 38.3892 176.6069 149 Y 3.9906 7.8482 120.1538 60.6766 39.1013 178.0378 150 L 4.0728 8.3182 120.0522 57.9623 41.6663 179.1700 151 Q 3.9025 8.2207 119.2340 59.1877 28.7054 177.9350 152 A 4.1348 7.7296 119.5526 53.5435 18.6327 178.2234 153 Q 4.3299 7.8625 116.0838 55.6162 29.2265 177.5272 154 I 3.9533 7.4271 121.1758 62.5980 37.4384 176.3377 155 R 4.5960 7.5431 119.6797 53.6726 32.2137 174.7806 156 E 4.0645 8.6210 123.4008 56.0122 30.3455 175.9480 157 E 3.9693 8.5870 123.3527 55.7062 30.4021 176.5923 *158 G 3.7299 8.6087 114.1112 45.8916 0.0000 172.2085 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 M 8.16 4.19 0.00 1.46 1.86 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.53 3.97 0.00 1.84 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.62 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 4 D 8.44 4.67 0.00 2.78 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 5 T 8.93 3.86 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 1.18 0.00 0.00 6 K 8.14 3.79 0.00 1.67 1.72 0.00 1.41 0.00 0.00 1.05 0.00 0.00 2.30 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.83 1.03 7.81 7 V 8.50 3.87 2.34 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 1.16 0.00 0.00 1.18 0.00 0.00 8 I 7.74 3.78 2.04 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 1.55 0.71 0.91 0.00 0.00 9 N 8.32 4.23 0.00 2.72 2.58 0.00 0.00 7.03 7.08 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 10 Y 8.01 4.11 0.00 3.31 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 11 L 8.58 3.86 0.00 2.00 1.78 1.09 0.80 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 12 N 8.46 4.33 0.00 2.77 2.82 0.00 0.00 6.70 8.31 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 13 K 8.00 3.86 0.00 1.77 1.95 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.23 3.81 0.00 1.07 1.17 0.91 0.48 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 15 L 7.81 4.02 0.00 1.68 1.85 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.19 3.61 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 0.00 0.00 0.00 17 N 8.03 4.38 0.00 2.98 2.92 0.00 0.00 7.04 7.69 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 18 E 8.32 4.11 0.00 2.31 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 0.00 2.80 2.85 0.00 19 L 8.07 4.32 0.00 1.90 1.94 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.69 3.60 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 0.86 0.00 0.00 0.91 0.00 0.00 21 A 8.06 3.90 1.55 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 0.00 0.00 22 I 8.20 3.76 2.05 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 1.55 0.85 0.89 0.00 0.00 23 N 7.89 4.42 0.00 2.92 2.87 0.00 0.00 6.73 7.87 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 24 Q 8.34 3.83 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 25 Y 8.52 4.30 0.00 3.25 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 26 F 8.47 3.90 0.00 3.45 3.14 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 0.00 27 L 8.26 3.93 0.00 1.95 1.58 0.88 0.90 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 28 H 8.26 3.78 0.00 3.44 3.22 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.10 4.16 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.60 3.94 0.00 1.72 1.85 0.00 3.19 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.56 0.00 31 M 7.50 3.44 0.00 0.94 1.56 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 32 F 7.44 4.61 0.00 3.34 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 33 K 8.17 3.94 0.00 1.95 1.81 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 34 N 7.73 4.28 0.00 2.71 2.68 0.00 0.00 7.32 7.94 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 35 W 7.83 4.75 0.00 3.74 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 36 G 8.32 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 0.00 0.00 0.00 37 L 7.88 4.69 0.00 2.15 1.65 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.82 0.00 2.02 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.38 3.98 0.00 2.08 1.99 0.00 3.49 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.87 4.14 0.00 1.73 1.09 1.09 0.04 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 41 N 8.16 4.56 0.00 3.15 3.01 0.00 0.00 7.22 8.49 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 42 D 8.04 4.37 0.00 2.73 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 43 V 7.63 3.35 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 0.66 0.00 0.00 44 E 8.36 3.84 0.00 2.56 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 2.81 2.76 0.00 45 Y 8.47 3.98 0.00 3.02 3.14 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 0.00 46 H 8.19 3.98 0.00 3.27 3.40 0.00 5.83 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 47 E 7.73 3.55 0.00 1.17 1.12 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 1.95 2.09 0.00 48 S 7.63 4.04 0.00 3.92 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 49 I 7.16 3.51 1.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.52 0.78 0.00 0.00 50 D 7.70 4.17 0.00 2.72 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 51 E 8.11 4.01 0.00 2.28 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 2.54 2.60 0.00 52 M 7.95 4.04 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.53 0.00 53 K 8.00 3.95 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.59 7.81 54 H 8.24 4.08 0.00 3.52 3.43 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.23 4.22 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 56 D 8.47 4.30 0.00 2.86 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 57 R 7.92 3.86 0.00 1.81 1.75 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 58 Y 7.69 4.33 0.00 3.23 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 59 I 8.15 3.77 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 1.58 0.89 0.95 0.00 0.00 60 E 8.37 4.06 0.00 2.04 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 2.35 2.63 0.00 61 R 8.10 4.04 0.00 2.11 2.24 0.00 3.37 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.44 3.77 2.07 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 1.59 0.86 0.97 0.00 0.00 63 L 8.16 4.02 0.00 2.10 1.79 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.14 4.36 0.00 3.02 3.35 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 65 L 8.14 4.36 0.00 1.81 1.62 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 3.89 0.00 2.07 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 2.15 2.26 0.00 67 G 8.15 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 68 L 8.01 4.52 0.00 1.62 1.63 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.42 0.00 2.06 2.02 0.00 3.65 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 2.06 2.11 0.00 70 N 9.65 4.74 0.00 2.60 2.81 0.00 0.00 7.10 8.42 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 71 L 8.27 4.65 0.00 1.63 1.65 0.94 1.01 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 72 Q 8.55 4.09 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 73 D 8.05 4.66 0.00 2.64 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 74 L 8.26 4.61 0.00 1.52 1.50 0.96 1.05 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 75 G 8.49 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 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 77 L 8.42 4.07 0.00 1.64 1.56 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.79 4.78 0.00 2.63 2.71 0.00 0.00 7.17 8.10 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 79 I 8.17 4.35 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.93 0.00 0.00 80 G 8.61 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 0.00 0.00 0.00 0.00 81 E 8.79 4.67 0.00 2.01 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 0.00 2.30 2.33 0.00 82 D 7.66 4.96 0.00 2.77 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 83 V 8.56 4.03 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 1.09 0.00 0.00 1.24 0.00 0.00 84 E 8.21 3.81 0.00 2.02 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 2.33 2.27 0.00 85 E 8.55 3.98 0.00 2.24 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 0.00 2.35 2.36 0.00 86 M 8.55 4.09 0.00 2.18 1.74 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.96 0.00 87 L 8.59 4.13 0.00 1.98 1.77 1.27 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.67 3.91 0.00 2.08 1.94 0.00 3.09 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 89 S 8.27 4.11 0.00 4.06 4.06 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 90 D 8.18 4.23 0.00 3.05 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 91 L 8.18 3.99 0.00 1.81 1.87 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.95 3.98 1.35 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 0.00 0.00 93 L 7.86 3.93 0.00 1.88 1.82 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.54 4.06 0.00 2.27 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 2.64 2.73 0.00 95 L 8.20 4.03 0.00 2.02 1.75 0.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.36 4.48 0.00 2.84 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 97 G 8.35 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 98 A 8.34 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.09 3.82 0.00 2.07 1.94 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 100 N 8.11 4.41 0.00 3.01 2.90 0.00 0.00 7.11 6.68 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 0.00 101 L 8.08 3.97 0.00 1.99 1.73 1.01 0.85 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 0.00 102 R 8.15 3.89 0.00 1.97 1.99 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.04 3.85 0.00 2.19 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 2.40 2.39 0.00 104 A 7.78 2.80 0.98 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 0.00 0.00 105 I 7.93 3.73 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.89 0.91 0.00 0.00 106 G 7.63 3.59 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 0.00 0.00 0.00 107 Y 7.83 4.07 0.00 3.19 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 0.00 108 A 8.35 3.82 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 0.00 0.00 0.00 0.00 0.00 109 D 7.92 4.04 0.00 2.75 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 0.00 110 S 7.46 4.18 0.00 3.95 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 0.00 111 V 6.78 3.93 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 0.56 0.00 0.00 0.66 0.00 0.00 112 H 6.90 2.94 0.00 3.21 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.35 4.53 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 0.00 114 Y 7.40 4.30 0.00 3.11 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 0.00 115 V 7.86 3.72 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 1.10 0.00 0.00 0.97 0.00 0.00 116 S 8.26 4.16 0.00 4.20 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 0.00 117 R 8.10 3.88 0.00 1.89 2.17 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 118 D 8.39 4.29 0.00 2.93 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 0.00 119 M 8.36 3.98 0.00 2.24 2.04 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 120 M 8.31 4.15 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.79 0.00 121 I 8.14 3.74 2.01 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 1.53 0.85 0.92 0.00 0.00 122 E 8.10 3.96 0.00 2.17 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 2.32 2.34 0.00 123 I 7.64 3.58 1.94 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.86 0.74 0.00 0.00 124 L 8.27 3.98 0.00 1.84 1.83 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.06 3.89 0.00 2.06 2.12 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.94 4.35 0.00 3.04 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 0.00 127 E 8.17 3.91 0.00 2.17 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 2.58 2.52 0.00 128 E 8.58 4.10 0.00 2.31 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 0.00 2.34 2.43 0.00 129 G 7.93 3.66 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 0.00 0.00 0.00 130 H 8.12 4.44 0.00 3.63 3.61 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 0.00 131 I 8.41 3.82 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 0.97 0.00 0.00 132 D 8.43 4.38 0.00 2.93 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 0.00 133 W 8.53 4.14 0.00 3.55 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.28 3.69 0.00 2.01 1.75 1.21 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.37 3.90 0.00 2.13 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 2.33 2.51 0.00 136 T 7.80 3.80 4.21 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 0.00 0.00 1.18 0.00 0.00 137 E 7.73 3.77 0.00 1.50 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.81 3.76 0.00 1.76 1.61 0.88 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.13 4.33 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.03 3.97 0.00 1.89 1.84 0.98 1.08 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 0.00 141 I 7.50 3.38 1.69 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.69 0.00 0.00 142 Q 7.39 3.93 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 8.05 4.13 0.00 1.75 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.66 7.81 144 M 8.32 4.38 0.00 2.18 2.20 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 2.61 2.83 0.00 145 G 7.54 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 0.00 146 L 8.34 3.98 0.00 1.74 1.66 0.95 0.68 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 0.00 147 Q 8.02 3.99 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.14 4.35 0.00 2.96 2.88 0.00 0.00 6.69 7.48 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 0.00 149 Y 7.85 3.99 0.00 3.06 3.21 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 0.00 0.00 0.00 150 L 8.32 4.07 0.00 2.07 1.70 1.05 0.96 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 0.00 151 Q 8.22 3.90 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.73 4.13 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 0.00 153 Q 7.86 4.33 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 154 I 7.43 3.95 2.01 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 1.17 0.86 0.91 0.00 0.00 155 R 7.54 4.60 0.00 1.70 1.75 0.00 3.23 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 156 E 8.62 4.06 0.00 2.13 2.03 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 2.26 2.28 0.00 157 E 8.59 3.97 0.00 1.95 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 2.29 2.30 0.00 *158 G 8.61 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 * Residues marked with a * may have inaccurate shift predictions.