NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -6 E 4.3188 8.4449 116.7533 55.8683 31.4147 173.6742 -5 N 4.9059 8.1917 112.2666 52.0799 41.5566 172.3768 -4 L 4.2078 8.4424 121.1951 55.5731 43.5490 176.7695 *-3 Y 3.8093 8.3288 122.4384 56.1157 35.9088 174.3696 *-2 F 3.7379 8.7757 117.1245 58.2829 36.3487 180.4445 -1 Q 4.0602 8.3490 122.5640 57.3417 29.7082 182.6388 0 G 3.8168 8.0293 105.4287 46.2025 0.0000 174.6336 -4 K 4.1878 8.5724 119.7951 56.6731 34.2490 175.7695 *-3 I 3.4293 8.2088 122.0384 59.3157 36.9088 174.8696 *-2 P 3.5379 0.0000 0.0000 63.8829 28.8487 181.9445 -1 K 4.0402 8.3190 123.1640 57.8417 33.4082 183.2388 0 I 4.0268 7.6993 116.5287 62.2025 36.4032 176.1336 7 Y 5.1392 9.3841 126.9387 56.1761 41.0542 174.8055 8 V 4.7337 8.8822 123.3619 60.4959 35.0427 174.2590 9 E 4.3534 8.8217 129.3101 57.8831 29.5728 177.3247 10 G 4.0341 9.1620 115.1694 45.7419 0.0000 173.8701 11 E 4.2097 7.8003 120.6428 54.2018 28.0904 175.9859 12 L 2.4400 7.1202 120.2215 55.0837 42.8678 175.6251 13 N 4.7552 7.5363 122.3939 52.6865 39.3156 173.8076 14 D 4.9102 8.6235 117.7554 53.5505 39.8672 176.5220 15 G 4.0387 8.5198 110.4918 45.0555 0.0000 173.8135 16 D 4.7471 8.4228 118.0847 54.6464 42.1948 176.1906 17 R 5.1115 8.5859 118.6208 54.4332 34.6903 174.3781 18 V 4.3874 8.1714 120.9385 60.8814 34.6410 174.1754 19 A 4.6522 8.6846 129.5842 50.6015 21.3121 175.7519 20 I 4.6159 8.2810 121.7096 59.5956 39.9972 174.8672 21 E 4.7497 8.9025 125.9206 53.5998 34.3839 175.5305 22 K 3.9112 9.3635 119.0819 59.0714 29.4807 175.6559 23 D 4.4585 9.2383 109.0503 54.4859 37.5109 176.7117 24 G 4.1081 8.2358 107.7348 46.3358 0.0000 174.9577 25 N 4.5979 7.8745 115.5784 53.5692 39.0922 174.7906 26 A 4.6224 7.5315 120.7702 50.2381 22.5461 174.9695 27 I 4.5715 8.3851 123.0923 59.4157 40.1916 175.2238 28 I 4.4057 8.4914 127.8364 59.2504 40.4106 174.8017 29 F 4.4252 8.8278 126.9061 57.1634 39.2253 175.6182 30 L 4.7198 8.4060 124.2517 53.4965 43.4236 176.8009 31 E 4.2241 9.5810 123.4958 56.4702 29.9459 178.5046 32 K 3.9466 8.0518 120.6310 57.8559 31.9793 178.1891 33 D 4.9272 7.7309 116.5902 53.5655 41.2950 176.2255 34 E 3.9541 7.8861 121.1553 55.8926 29.7557 176.2605 35 E 3.9765 8.7501 127.8746 56.0272 30.0287 175.3439 36 Y 4.3344 8.7475 128.2289 58.0710 38.7711 175.2120 37 S 4.2904 8.4573 121.4123 58.0309 63.8528 174.1334 38 G 3.8341 5.8829 109.9923 43.8555 0.0000 173.3055 39 N 4.7913 8.5438 114.7539 52.4651 37.6905 174.8960 40 G 4.3466 8.3257 107.9484 45.4146 0.0000 173.5504 41 K 4.5632 8.3890 118.9523 55.7045 34.3047 176.0653 42 L 4.6244 8.2943 122.8192 52.9558 44.2443 175.1231 43 L 5.1250 8.3752 123.8837 53.1815 44.3771 175.0192 44 Y 5.1056 8.8620 121.7108 56.0063 40.6720 175.0392 45 Q 4.7783 9.1583 125.5307 56.3919 29.6956 175.4933 46 V 4.6435 7.9788 117.9887 59.0048 35.6979 175.3303 47 I 3.8519 8.2802 122.5751 61.7506 37.3867 176.7319 48 Y 4.4949 8.4489 126.4725 56.4696 36.5747 173.0222 49 D 4.8775 7.9216 119.9090 53.0840 42.6717 175.9394 50 D 4.5493 9.1047 121.2024 51.7089 44.8386 175.4334 51 L 3.7942 7.3069 125.6494 55.9466 42.4942 178.3636 52 A 3.9052 7.9199 120.7446 55.1032 18.4194 178.8076 53 K 3.8265 7.5648 113.7937 59.2056 33.2784 177.0272 54 Y 4.4813 7.1943 119.6976 57.0401 37.5146 176.5363 *56 S 4.3991 7.6390 114.1674 58.6215 64.4182 174.5137 57 L 3.5148 8.2931 130.6058 56.3072 40.6597 175.2298 58 D 4.8711 8.9692 127.4487 54.0701 39.5807 175.0129 59 T 5.1075 7.7803 116.2209 61.6457 71.5212 174.0294 60 L 4.3254 8.7780 126.7846 55.2379 42.2936 177.7935 61 K 4.5143 9.1461 122.7954 57.0769 33.5213 176.6230 62 K 4.7775 7.7232 119.3736 54.4104 35.9526 175.8610 63 D 4.7516 9.2149 123.3836 54.6769 42.3423 175.6440 64 V 4.9031 8.9940 121.4161 61.1475 35.5012 173.7325 65 L 5.4737 9.1682 128.7630 53.4107 45.3550 174.8459 66 I 5.7606 9.1264 126.9922 59.8215 40.0389 174.2106 67 Q 5.0582 8.9559 128.7753 55.1538 30.1630 175.0108 68 Y 4.4723 9.7517 124.3643 57.2817 38.8152 175.3321 69 P 4.1892 0.0000 0.0000 65.4717 31.5530 177.6080 70 D 4.4021 8.1883 116.0193 54.0556 39.5243 177.2001 71 K 4.0988 8.3450 118.4152 57.1732 30.1486 175.9605 72 H 4.9064 9.0130 114.6715 55.2641 31.1029 173.5099 73 T 4.6158 8.0782 116.5934 61.9177 70.1579 173.8019 74 L 5.5754 8.2862 124.3875 54.4488 44.2141 175.2784 75 T 4.7959 9.2631 114.5467 60.5499 70.6864 171.7151 76 Y 5.2677 8.9052 129.4583 56.0083 40.8925 174.5350 77 L 4.4614 8.8768 127.7705 52.5387 44.1974 176.5777 78 K 4.3474 7.9950 123.3936 55.5046 33.4754 176.8307 79 A 4.1553 9.2378 126.2582 54.3571 18.6524 178.4776 80 G 3.9915 9.0957 110.6216 45.1856 0.0000 174.0553 81 T 4.0546 7.7247 118.0069 63.2456 69.4025 173.7590 82 K 4.6651 8.6832 128.5635 56.1616 32.9647 175.8324 83 L 4.9684 8.9065 127.1375 53.0278 45.1736 175.9883 84 I 4.3586 8.3519 122.7518 60.0069 38.9605 174.4035 85 S 4.6160 8.6747 122.7357 56.9722 63.6461 173.3029 86 V 4.4631 8.8942 127.3186 60.5444 33.9411 172.8744 87 P 5.1577 0.0000 0.0000 62.4507 33.3379 176.2322 88 A 4.5845 8.9721 122.7764 50.7818 21.1387 174.2856 89 E 5.1113 8.5358 121.0088 54.9813 32.6909 175.0910 90 G 3.9169 8.1183 111.3357 46.4604 0.0000 173.1369 91 Y 4.3967 9.0282 120.5473 60.0906 39.2461 176.6358 92 K 4.3039 8.3975 117.9109 54.2116 36.0881 175.4904 93 V 4.4414 7.9591 123.3563 61.3078 34.4134 174.4811 94 Y 4.6927 8.9786 126.0498 55.3903 39.4757 173.0424 95 P 4.9576 0.0000 0.0000 61.4926 32.4811 176.8469 96 I 4.2208 8.1446 116.9688 60.3368 37.9313 174.1367 *98 D 4.2005 7.6557 119.4968 54.3199 42.3036 173.2089 99 F 4.1038 8.6526 121.6161 59.9945 39.3470 175.3244 100 G 3.3755 7.9989 115.0981 45.4787 0.0000 173.4990 101 F 4.6196 7.9317 118.7389 56.8366 40.3784 175.0585 102 R 4.7299 8.4919 118.7560 55.9187 30.7026 175.8511 103 V 4.5623 8.7715 120.9442 61.2091 35.5109 173.8896 104 L 4.7619 6.5530 124.9762 51.9403 45.2138 175.8537 105 K 3.9966 8.2651 123.0920 58.5843 32.3761 176.8975 106 G 4.0885 9.1581 115.3120 45.3235 0.0000 173.4642 107 Y 4.3944 8.0263 117.9781 58.1147 39.1477 175.8814 108 R 4.7502 8.3657 123.7743 56.3229 30.2359 176.0015 109 L 4.1644 9.3212 127.2466 57.0838 43.1431 176.7130 110 A 5.0659 7.6849 117.5681 51.1804 22.9498 175.1091 111 T 5.0972 8.7772 116.7902 61.9876 71.0825 173.7956 112 L 5.1826 8.9677 126.0030 52.8707 44.9444 175.0381 113 E 5.2631 9.1029 123.9440 54.4766 33.1005 175.8378 114 S 4.8991 8.7819 123.7925 57.3080 64.9927 175.8442 115 K 2.8535 8.4572 123.9816 58.0266 31.1555 177.5570 116 K 4.0359 7.7530 119.5425 55.8735 31.7686 179.5498 117 G 4.1973 7.9073 104.3909 45.6108 0.0000 173.5182 118 D 4.5203 8.1658 120.3230 54.0199 41.4749 175.0571 119 L 5.0998 8.2230 122.7327 53.4203 43.6178 175.8551 120 R 4.5157 8.6172 120.9340 54.6398 35.0202 173.5794 121 Y 5.2453 8.2532 116.3382 56.3805 42.3167 175.1405 122 V 4.3781 8.6823 122.4451 61.4363 34.0248 174.3630 123 N 5.3697 8.6090 124.8053 51.4289 41.9177 174.0103 124 S 4.6266 9.1009 117.0309 57.6743 63.1708 173.2577 125 P 4.5522 0.0000 0.0000 64.0953 31.8342 175.9068 126 V 4.5257 7.3773 110.8398 59.8499 35.8667 174.5016 127 S 4.7968 8.7555 116.8657 56.2482 65.1222 174.9469 128 G 4.2498 7.2878 111.1707 46.6202 0.0000 171.2934 129 T 5.0986 8.3365 120.3647 61.5567 72.5463 174.3038 130 V 4.1941 8.8924 126.5662 62.9979 32.0458 176.0666 131 I 4.4781 8.4658 121.5540 61.0183 38.6804 174.6272 132 F 4.8041 8.1376 124.1330 58.0772 43.1843 171.8092 *134 N 4.6908 8.3942 118.8713 52.9938 39.5524 172.1870 135 E 3.9266 8.4101 122.9706 55.5940 30.1565 175.4806 136 I 4.4102 7.8068 128.2092 58.7642 38.8901 173.9825 137 P 4.2680 0.0000 0.0000 63.0110 30.9469 175.5305 138 S 4.5855 8.0810 119.6004 59.2409 65.7038 178.7183 139 E 3.9585 8.6450 116.6216 57.8697 29.6401 174.4889 140 R 4.6518 7.0800 114.1200 54.9044 34.4056 173.8558 141 A 4.1087 7.9242 119.3676 52.3138 19.4389 176.6145 142 N 5.3209 8.6611 120.1127 52.2009 42.5214 172.8383 143 Y 5.2374 9.0965 122.9692 56.0435 42.5245 174.7693 144 V 4.8038 8.2168 120.3151 60.0723 34.2298 174.7218 145 F 4.9675 9.2339 124.1995 56.0964 41.2136 174.8338 146 Y 5.2579 9.1173 120.7032 55.1582 41.9363 174.4250 *148 L 4.1813 8.1516 120.8829 54.8762 43.3473 175.5269 149 E 4.4989 8.8330 128.0480 55.7985 30.4450 176.1714 150 E 4.1701 8.8381 123.2373 56.6515 29.7718 176.4376 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 E 8.44 4.32 0.00 2.01 1.86 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 2.13 1.91 0.00 -5 N 8.19 4.91 0.00 2.72 2.74 0.00 0.00 6.82 6.97 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 -4 L 8.44 4.21 0.00 1.63 1.63 0.92 0.78 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 *-3 Y 8.33 3.81 0.00 2.33 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 0.00 0.00 0.00 *-2 F 8.78 3.74 0.00 2.38 2.41 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 -1 Q 8.35 4.06 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.71 0.00 0.00 0.00 0.00 0.00 2.37 1.95 0.00 0 G 8.03 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 -4 K 8.57 4.19 0.00 1.85 1.76 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 *-3 I 8.21 3.43 1.87 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 1.27 0.63 0.91 0.00 0.00 *-2 P 0.00 3.54 0.00 1.53 1.31 0.00 2.20 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.57 0.00 -1 K 8.32 4.04 0.00 1.69 1.92 0.00 1.06 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.03 7.81 0 I 7.70 4.03 1.87 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 1.30 0.41 0.91 0.00 0.00 7 Y 9.38 5.14 0.00 2.88 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 8 V 8.88 4.73 1.72 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 0.54 0.00 0.00 0.33 0.00 0.00 9 E 8.82 4.35 0.00 2.13 1.88 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 2.37 2.31 0.00 10 G 9.16 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 0.00 0.00 0.00 11 E 7.80 4.21 0.00 2.02 1.95 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 2.30 2.20 0.00 12 L 7.12 2.44 0.00 1.18 1.35 0.78 0.93 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 13 N 7.54 4.76 0.00 2.79 2.71 0.00 0.00 6.16 8.06 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 14 D 8.62 4.91 0.00 2.80 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 15 G 8.52 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 16 D 8.42 4.75 0.00 2.93 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 17 R 8.59 5.11 0.00 1.57 1.40 0.00 2.80 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.67 0.00 18 V 8.17 4.39 1.41 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 0.14 0.00 0.00 -0.62 0.00 0.00 19 A 8.68 4.65 0.77 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 0.00 0.00 20 I 8.28 4.62 1.70 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.96 0.49 0.00 0.00 21 E 8.90 4.75 0.00 1.82 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 2.36 2.28 0.00 22 K 9.36 3.91 0.00 1.87 1.78 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.40 7.81 23 D 9.24 4.46 0.00 2.84 2.59 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 24 G 8.24 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 25 N 7.87 4.60 0.00 2.85 2.86 0.00 0.00 6.63 6.65 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 26 A 7.53 4.62 1.14 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 0.00 0.00 27 I 8.39 4.57 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.51 0.48 0.00 0.00 28 I 8.49 4.41 1.81 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 1.23 0.72 0.92 0.00 0.00 29 F 8.83 4.43 0.00 2.88 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 30 L 8.41 4.72 0.00 1.50 1.60 0.70 0.88 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 31 E 9.58 4.22 0.00 2.05 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 2.41 0.00 32 K 8.05 3.95 0.00 1.77 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.09 7.81 33 D 7.73 4.93 0.00 2.66 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 34 E 7.89 3.95 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 35 E 8.75 3.98 0.00 1.98 1.88 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 2.30 2.38 0.00 36 Y 8.75 4.33 0.00 2.83 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 37 S 8.46 4.29 0.00 3.89 3.86 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 38 G 5.88 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 39 N 8.54 4.79 0.00 2.81 2.85 0.00 0.00 5.79 7.00 0.00 0.00 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 8.33 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 0.00 0.00 0.00 0.00 41 K 8.39 4.56 0.00 1.69 1.70 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.43 7.81 42 L 8.29 4.62 0.00 1.49 0.95 0.89 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.38 5.13 0.00 1.59 1.56 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.86 5.11 0.00 3.05 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 45 Q 9.16 4.78 0.00 1.54 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 46 V 7.98 4.64 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 0.81 0.00 0.00 0.96 0.00 0.00 47 I 8.28 3.85 1.93 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 1.32 0.49 0.96 0.00 0.00 48 Y 8.45 4.49 0.00 2.80 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 49 D 7.92 4.88 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 50 D 9.10 4.55 0.00 2.52 2.41 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 51 L 7.31 3.79 0.00 0.27 0.13 0.68 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.92 3.91 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 53 K 7.56 3.83 0.00 1.48 1.64 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.76 0.21 7.81 54 Y 7.19 4.48 0.00 3.04 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 *56 S 7.64 4.40 0.00 3.88 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 57 L 8.29 3.51 0.00 1.82 0.84 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.97 4.87 0.00 3.03 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 59 T 7.78 5.11 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 60 L 8.78 4.33 0.00 1.58 1.76 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.15 4.51 0.00 1.74 1.93 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 62 K 7.72 4.78 0.00 1.59 1.68 0.00 1.95 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 D 9.21 4.75 0.00 2.78 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 64 V 8.99 4.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.91 0.00 0.00 65 L 9.17 5.47 0.00 1.85 1.52 0.67 0.77 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 66 I 9.13 5.76 2.19 0.00 0.00 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 1.32 0.78 0.86 0.00 0.00 67 Q 8.96 5.06 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 68 Y 9.75 4.47 0.00 3.18 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 69 P 0.00 4.19 0.00 2.09 2.10 0.00 3.87 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 70 D 8.19 4.40 0.00 2.81 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 71 K 8.35 4.10 0.00 1.72 1.80 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.28 1.49 7.81 72 H 9.01 4.91 0.00 3.04 3.25 0.00 5.64 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.08 4.62 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 0.31 0.00 0.00 74 L 8.29 5.58 0.00 1.77 1.76 1.01 0.75 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 75 T 9.26 4.80 4.61 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 1.62 0.00 0.00 76 Y 8.91 5.27 0.00 2.90 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 77 L 8.88 4.46 0.00 1.50 1.50 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.00 4.35 0.00 1.55 1.62 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.03 7.81 79 A 9.24 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 9.10 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 81 T 7.72 4.05 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 1.21 0.00 0.00 82 K 8.68 4.67 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.63 7.81 83 L 8.91 4.97 0.00 1.61 1.68 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.35 4.36 1.92 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 0.68 0.93 0.00 0.00 85 S 8.67 4.62 0.00 3.93 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 86 V 8.89 4.46 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 1.02 0.00 0.00 0.93 0.00 0.00 87 P 0.00 5.16 0.00 2.13 2.02 0.00 3.81 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 1.97 1.96 0.00 88 A 8.97 4.58 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 89 E 8.54 5.11 0.00 1.96 1.81 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 2.35 2.38 0.00 90 G 8.12 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 0.00 0.00 0.00 91 Y 9.03 4.40 0.00 2.91 3.16 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 92 K 8.40 4.30 0.00 1.74 0.90 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.34 1.22 7.81 93 V 7.96 4.44 2.29 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 0.83 0.00 0.00 1.02 0.00 0.00 94 Y 8.98 4.69 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.96 0.00 1.79 2.02 0.00 3.42 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.00 96 I 8.14 4.22 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 1.20 0.74 0.93 0.00 0.00 *98 D 7.66 4.20 0.00 2.38 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 0.00 0.00 0.00 0.00 99 F 8.65 4.10 0.00 3.04 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 0.00 100 G 8.00 3.38 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 0.00 101 F 7.93 4.62 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.49 4.73 0.00 1.82 1.94 0.00 2.98 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 103 V 8.77 4.56 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 1.03 0.00 0.00 1.00 0.00 0.00 104 L 6.55 4.76 0.00 0.36 1.12 0.84 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.27 4.00 0.00 1.65 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.42 7.81 106 G 9.16 4.09 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 0.00 0.00 0.00 107 Y 8.03 4.39 0.00 2.95 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 0.00 108 R 8.37 4.75 0.00 1.73 1.77 0.00 2.97 0.00 0.00 3.97 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 109 L 9.32 4.16 0.00 1.32 0.47 0.50 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.68 5.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.78 5.10 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 1.30 0.00 0.00 112 L 8.97 5.18 0.00 1.45 1.51 0.97 0.84 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 0.00 113 E 9.10 5.26 0.00 2.22 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 2.35 2.33 0.00 114 S 8.78 4.90 0.00 4.04 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 0.00 115 K 8.46 2.85 0.00 1.80 1.78 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.02 7.81 116 K 7.75 4.04 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.01 7.81 117 G 7.91 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 0.00 0.00 0.00 0.00 118 D 8.17 4.52 0.00 2.75 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 0.00 119 L 8.22 5.10 0.00 1.45 1.30 0.99 0.94 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 0.00 120 R 8.62 4.52 0.00 1.55 1.66 0.00 3.04 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 121 Y 8.25 5.25 0.00 2.85 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 0.00 122 V 8.68 4.38 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 0.79 0.00 0.00 0.97 0.00 0.00 123 N 8.61 5.37 0.00 2.68 2.88 0.00 0.00 6.76 7.09 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 0.00 124 S 9.10 4.63 0.00 3.79 3.70 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 0.00 125 P 0.00 4.55 0.00 2.21 2.15 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 126 V 7.38 4.53 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 0.77 0.00 0.00 0.93 0.00 0.00 127 S 8.76 4.80 0.00 3.82 3.67 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 0.00 128 G 7.29 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 0.00 0.00 0.00 0.00 129 T 8.34 5.10 4.29 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 1.28 0.00 0.00 130 V 8.89 4.19 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 1.14 0.00 0.00 1.07 0.00 0.00 131 I 8.47 4.48 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 1.02 0.00 0.00 132 F 8.14 4.80 0.00 3.32 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 *134 N 8.39 4.69 0.00 2.54 2.89 0.00 0.00 6.51 7.65 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 0.00 135 E 8.41 3.93 0.00 1.44 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 1.47 1.70 0.00 136 I 7.81 4.41 1.80 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 1.18 0.99 0.87 0.00 0.00 137 P 0.00 4.27 0.00 1.88 1.97 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 138 S 8.08 4.59 0.00 3.94 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.65 3.96 0.00 1.99 1.86 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 2.23 1.90 0.00 140 R 7.08 4.65 0.00 2.00 2.00 0.00 3.24 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 141 A 7.92 4.11 1.22 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 0.00 0.00 0.00 142 N 8.66 5.32 0.00 2.77 2.72 0.00 0.00 6.54 7.44 0.00 0.00 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 Y 9.10 5.24 0.00 2.78 2.43 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 0.00 144 V 8.22 4.80 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 0.94 0.00 0.00 0.35 0.00 0.00 145 F 9.23 4.97 0.00 3.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Y 9.12 5.26 0.00 3.04 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 *148 L 8.15 4.18 0.00 1.88 1.67 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.83 4.50 0.00 1.99 1.85 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 2.29 2.45 0.00 150 E 8.84 4.17 0.00 2.11 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 2.42 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.