NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0937 8.0544 120.3178 61.5571 32.7868 173.5526 9 R 4.3665 8.2025 119.3373 53.8421 31.8120 173.4186 10 I 4.0545 8.4849 127.3460 61.6766 38.3098 175.5736 11 T 4.6720 8.3205 116.9677 61.5171 69.4365 174.9481 12 Q 4.1313 7.9896 120.4421 57.8209 29.5945 176.6854 13 G 4.1033 8.6207 107.6247 45.5597 0.0000 174.1867 14 T 3.7794 8.4993 117.9506 65.5060 68.6704 175.6423 15 F 5.1257 7.8016 118.8004 57.4146 39.9259 176.4836 16 S 4.5396 8.4177 115.9016 60.0027 62.8596 174.9570 17 F 4.2600 8.3421 118.0752 57.8910 39.2650 175.5308 18 L 4.6499 7.6965 120.8777 52.2232 43.1447 174.5728 19 P 4.3809 0.0000 0.0000 62.5868 31.7711 176.3735 20 D 4.4598 8.5511 120.5411 54.3688 41.0893 176.8123 21 L 4.2568 8.5183 124.8799 54.9556 42.3787 177.8352 22 T 4.2295 8.9318 114.1744 61.3269 70.9839 175.4439 23 D 4.3715 8.7776 122.0237 57.8041 40.7538 179.1388 24 E 3.9096 8.1024 119.1081 59.4753 29.9031 178.7915 25 Q 3.9479 7.6681 117.3792 58.8579 28.6349 178.7623 26 I 3.7670 8.0522 121.1515 64.1889 37.1457 178.1443 27 K 3.9002 8.2926 120.6669 59.7890 32.1158 178.9093 28 K 4.1788 7.9129 117.9958 59.5792 31.8886 179.4354 29 Q 4.0698 7.9518 118.1149 58.9147 28.4978 178.6988 30 I 3.9114 8.2634 121.2512 64.4125 37.0537 178.0671 31 D 4.3991 8.4190 119.9599 57.4755 40.7517 178.2419 32 Y 4.1943 7.9183 120.7555 60.5727 38.8647 178.0757 33 M 3.9690 8.3519 119.5353 58.5056 32.0661 178.9124 34 I 3.7749 8.1627 120.4942 64.3141 36.9873 178.6558 35 S 4.2236 8.3928 115.1023 60.5674 62.5446 175.5777 36 K 4.2849 7.4170 119.6990 54.6704 32.4132 176.3522 37 K 3.8411 7.7622 117.4606 57.3729 30.2270 175.1406 38 L 4.7629 7.6838 116.3788 53.8955 43.3369 177.5258 39 A 4.3669 8.8328 124.1928 51.7564 20.0053 176.4019 40 I 4.8032 8.6148 123.3916 59.4362 39.8357 175.1608 41 G 4.4597 9.1855 113.8300 44.3330 0.0000 171.5060 42 I 5.1358 8.3509 121.7263 59.3456 40.3625 174.4953 43 E 5.5880 9.2674 125.7675 54.9602 33.9656 174.3144 44 Y 6.3000 9.1647 118.9392 56.3143 42.0261 173.7285 45 T 4.9841 8.3189 109.1330 60.8628 72.0911 172.8679 46 N 5.1926 8.6531 117.6563 52.5961 37.6823 174.4662 47 D 4.5976 7.6307 119.0659 53.1281 41.6206 175.0405 48 I 4.0117 7.5919 124.4204 60.2322 38.1448 176.7029 49 H 4.6461 7.4920 120.0671 56.1736 30.6399 172.7526 50 P 4.3365 0.0000 0.0000 66.2182 31.0824 177.1665 51 R 4.0971 7.8639 115.1274 56.6518 30.0771 175.2651 *64 N 5.1069 8.0277 115.8856 53.3665 38.6011 173.4270 65 A 3.8400 8.2093 126.5835 53.6416 18.8070 177.1217 66 Y 4.7517 7.6609 112.3710 55.9509 38.7322 175.3155 67 W 4.6345 8.6676 124.3251 55.8873 30.7036 175.9698 68 E 4.1203 8.7617 121.6260 56.4326 29.9674 176.4774 69 I 4.3276 8.2294 124.7072 60.6235 38.5170 175.9043 70 W 4.5843 9.4332 135.0000 56.3145 29.7342 177.7169 71 G 3.6791 8.4995 119.0285 45.9243 0.0000 171.1693 72 L 4.7403 8.1492 125.0857 51.7382 44.7354 174.4235 73 P 4.1581 0.0000 0.0000 63.1092 31.4407 175.7734 74 L 4.1348 8.6158 122.7800 54.5396 41.4038 177.4057 75 F 4.1572 8.6695 123.4847 59.1774 39.5076 176.3886 76 D 4.7560 7.9894 128.4739 52.8296 40.5189 175.5824 77 V 4.3460 8.1627 123.7739 61.4135 33.0719 175.3941 78 T 4.3165 8.6187 122.9761 64.0095 70.4931 173.9794 79 D 4.8548 7.7919 121.6071 51.5194 42.5278 174.5540 80 P 4.3158 0.0000 0.0000 66.2746 30.8381 178.0948 81 A 4.0758 8.3168 119.5143 54.8461 18.3484 179.2680 82 A 3.9998 7.9908 119.2970 55.3277 18.4025 180.0951 83 V 3.6326 7.7829 116.2805 66.1123 31.6954 177.9091 84 L 4.0065 8.0808 118.8015 57.8439 41.3851 179.2308 85 F 4.1695 8.5782 120.5789 61.6317 39.2721 177.1554 86 E 4.0055 8.3144 117.6093 59.2279 29.1318 179.4492 87 I 3.5361 7.9488 120.1036 64.5188 37.2128 178.2891 88 N 4.1896 8.3944 117.3883 55.9793 38.2895 177.4323 89 A 3.7314 7.8627 122.6500 54.9988 18.4177 179.2570 90 C 2.0000 7.4892 117.2210 62.0324 31.2564 175.8978 91 R 3.7509 7.4999 118.5254 59.0746 29.6335 178.7242 92 K 3.9508 7.6766 118.2953 59.3658 32.3346 178.4767 93 A 4.1654 7.5857 119.3954 53.3158 19.7209 177.6253 94 R 4.4100 7.8120 115.8810 54.9502 30.4628 176.6571 95 S 4.1723 8.0407 115.1411 60.7401 63.9704 175.5960 96 N 4.9084 7.5184 114.7003 52.2218 36.9243 173.6210 97 F 4.7608 7.5368 114.4884 56.7204 44.1242 175.2269 98 Y 4.5094 8.9658 118.6730 57.4365 39.2960 174.9687 99 I 5.5581 8.9054 124.5704 59.4752 41.1437 174.7023 100 K 5.0077 9.3986 124.4044 55.1476 36.5975 174.9201 101 V 4.6335 7.9248 121.3348 61.0763 33.9109 174.5000 102 V 4.7618 8.8513 127.4769 60.9372 34.8342 174.2057 103 G 4.4680 8.9711 113.9998 44.4277 0.0000 171.3053 104 F 5.3425 9.3076 128.2384 56.3872 42.4162 173.9667 105 S 5.0246 8.0268 120.0892 56.6126 64.3937 174.4382 106 S 4.7028 8.9544 122.0502 58.7606 63.2184 174.5565 107 V 3.6759 7.3082 121.4072 62.5727 31.9144 176.3680 107A R 4.1043 8.4456 127.5130 59.0005 29.7766 177.7839 107B G 3.6689 8.0376 103.8123 47.4076 0.0000 173.1585 108 I 3.9077 7.2562 120.0717 59.1654 39.0825 175.5078 109 E 3.7537 7.7113 117.7102 55.4678 27.4174 172.9874 110 S 4.3593 6.1456 111.4120 57.4942 66.7535 173.4627 111 T 4.6402 8.4282 118.4633 63.4917 68.4411 175.0443 112 I 4.4572 8.6961 118.6587 60.6843 39.0120 175.2022 113 I 4.5845 7.5112 122.2799 60.3772 41.7568 173.3310 114 S 5.1208 8.6978 123.6105 57.4035 65.7621 172.8279 115 F 5.3136 8.5453 121.9285 55.1101 41.6497 173.7998 116 I 4.4949 8.6919 121.9529 61.6166 37.4291 176.1357 117 V 4.5125 8.7467 119.2711 61.1048 33.0906 175.2261 118 N 4.8281 7.7645 118.1232 52.6504 42.2109 173.1772 119 R 4.4175 8.2646 123.7597 53.1187 32.6522 173.4919 120 P 4.1855 0.0000 0.0000 62.3153 31.8338 177.4475 121 K 4.1702 8.3795 118.6566 59.4418 32.1770 177.3564 122 H 4.6710 7.6597 117.1296 54.5984 32.7451 171.8322 123 E 4.6650 8.5038 127.9038 53.8713 30.1429 173.3557 124 P 4.3145 0.0000 0.0000 66.0160 32.2818 175.1188 125 G 4.0301 7.9701 103.0731 43.7773 0.0000 172.0615 126 F 5.0632 8.7362 117.8487 55.6471 42.9783 174.1585 127 N 4.8842 8.6268 120.3925 51.3833 40.9783 173.3798 128 L 5.1553 8.5493 126.5869 53.7033 44.6333 175.0291 129 M 4.6043 9.1628 126.7101 53.9799 34.2913 175.5324 130 R 4.1105 8.5774 122.1344 54.3491 32.1981 174.1477 131 Q 4.3384 8.4984 126.1614 54.7642 30.6474 174.3932 132 E 4.3555 8.7151 126.4642 55.5752 30.0262 175.6029 133 D 4.9276 8.6672 124.8999 53.8676 41.9191 176.4172 134 K 4.1873 8.6134 116.5669 57.4195 34.2016 177.0040 135 S 3.5490 8.6548 119.1271 60.1861 62.2106 173.2851 136 R 4.5274 8.9516 124.3786 56.7368 30.6051 175.8025 137 S 4.4617 8.2113 116.1520 58.5376 63.9256 173.3615 138 I 4.8385 8.2275 123.4569 59.3603 40.6437 174.7551 139 K 4.5521 8.5561 124.7727 54.9655 34.1985 174.8790 140 Y 5.7101 8.6171 122.0030 55.8921 40.5761 175.2372 141 T 4.7099 8.5105 118.4365 61.9404 72.1679 172.6364 142 I 4.9487 8.5615 127.0405 59.9574 39.4445 174.7670 143 H 4.9556 9.0191 126.1327 54.3308 33.6225 172.8338 144 S 4.0787 8.5088 120.4928 57.9912 63.8979 174.6552 145 Y 4.4469 8.3122 121.7967 61.4570 38.0209 178.8513 146 E 3.9140 8.0738 118.6533 59.3611 29.6192 178.3716 147 S 4.6023 7.5016 112.6981 59.0999 62.3430 174.3914 148 Y 4.5222 7.8083 118.1399 58.2224 38.3115 175.8209 149 K 4.6043 7.6937 119.9171 53.4795 34.1596 174.6660 150 P 4.3485 0.0000 0.0000 62.7212 31.6128 176.6167 151 E 3.8498 9.1130 121.6478 59.6966 29.3838 178.7381 152 D 4.5881 8.0999 114.9030 54.9852 39.7132 176.2676 153 E 4.5842 8.3222 118.8057 56.0737 30.1955 175.5845 154 R 4.1987 7.4844 118.3308 56.0533 31.2618 176.2532 155 Y 3.9556 8.2377 119.1451 58.6579 38.4147 169.6300 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 8 V 8.05 4.09 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 1.01 0.00 0.00 1.01 0.00 0.00 9 R 8.20 4.37 0.00 1.80 1.75 0.00 3.19 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 10 I 8.48 4.05 1.93 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 1.57 0.69 0.92 0.00 0.00 11 T 8.32 4.67 4.49 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 0.00 0.00 0.95 0.00 0.00 12 Q 7.99 4.13 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.66 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 13 G 8.62 4.10 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 0.00 0.00 0.00 14 T 8.50 3.78 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 15 F 7.80 5.13 0.00 3.07 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 16 S 8.42 4.54 0.00 4.00 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 17 F 8.34 4.26 0.00 3.00 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 18 L 7.70 4.65 0.00 1.88 1.63 0.94 1.06 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 19 P 0.00 4.38 0.00 2.04 2.01 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 20 D 8.55 4.46 0.00 2.68 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 21 L 8.52 4.26 0.00 1.69 1.59 0.78 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.93 4.23 4.24 0.00 0.00 0.00 0.00 0.00 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 23 D 8.78 4.37 0.00 2.72 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 24 E 8.10 3.91 0.00 1.99 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 2.38 2.34 0.00 25 Q 7.67 3.95 0.00 2.27 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 26 I 8.05 3.77 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.88 1.09 0.00 0.00 27 K 8.29 3.90 0.00 1.99 2.05 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.67 7.81 28 K 7.91 4.18 0.00 1.94 1.81 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 29 Q 7.95 4.07 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.26 1.83 0.00 30 I 8.26 3.91 2.12 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.06 0.99 0.00 0.00 31 D 8.42 4.40 0.00 2.95 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 32 Y 7.92 4.19 0.00 3.10 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.35 3.97 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.06 2.77 0.00 34 I 8.16 3.77 2.05 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 1.61 1.08 0.99 0.00 0.00 35 S 8.39 4.22 0.00 4.00 4.12 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 36 K 7.42 4.28 0.00 1.44 1.69 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 0.95 7.81 37 K 7.76 3.84 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.68 4.76 0.00 1.57 1.74 0.93 0.74 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 39 A 8.83 4.37 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 40 I 8.61 4.80 1.86 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.96 0.93 0.00 0.00 41 G 9.19 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 42 I 8.35 5.14 2.10 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 1.34 0.88 0.89 0.00 0.00 43 E 9.27 5.59 0.00 1.90 2.01 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 2.28 2.24 0.00 44 Y 9.16 6.30 0.00 3.13 3.05 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 0.00 0.00 0.00 45 T 8.32 4.98 3.96 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 0.98 0.00 0.00 46 N 8.65 5.19 0.00 2.81 2.35 0.00 0.00 5.74 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 47 D 7.63 4.60 0.00 2.49 2.45 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 48 I 7.59 4.01 1.69 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.36 0.17 0.00 0.00 49 H 7.49 4.65 0.00 3.34 3.25 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.34 0.00 2.09 2.05 0.00 3.38 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 51 R 7.86 4.10 0.00 1.98 2.01 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 *64 N 8.03 5.11 0.00 2.73 3.00 0.00 0.00 7.31 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 65 A 8.21 3.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.66 4.75 0.00 3.05 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 67 W 8.67 4.63 0.00 3.29 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.76 4.12 0.00 1.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 69 I 8.23 4.33 2.01 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 1.26 0.50 0.95 0.00 0.00 70 W 9.43 4.58 0.00 3.62 3.27 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 71 G 8.50 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.15 4.74 0.00 1.54 1.54 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.16 0.00 1.42 1.80 0.00 3.81 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 1.86 1.88 0.00 74 L 8.62 4.13 0.00 1.71 1.65 1.00 1.20 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 F 8.67 4.16 0.00 3.12 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 76 D 7.99 4.76 0.00 2.72 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 77 V 8.16 4.35 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 0.86 0.00 0.00 0.96 0.00 0.00 78 T 8.62 4.32 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 1.23 0.00 0.00 79 D 7.79 4.85 0.00 2.74 2.54 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 80 P 0.00 4.32 0.00 2.34 2.36 0.00 3.78 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 2.11 2.24 0.00 81 A 8.32 4.08 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.99 4.00 1.45 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 83 V 7.78 3.63 2.27 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 1.19 0.00 0.00 0.99 0.00 0.00 84 L 8.08 4.01 0.00 1.97 1.80 0.97 0.88 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 85 F 8.58 4.17 0.00 3.22 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 86 E 8.31 4.01 0.00 2.33 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 2.72 2.67 0.00 87 I 7.95 3.54 2.00 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 1.48 0.87 0.86 0.00 0.00 88 N 8.39 4.19 0.00 2.81 2.74 0.00 0.00 6.97 7.07 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 89 A 7.86 3.73 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 90 C 7.49 2.00 0.00 1.62 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.50 3.75 0.00 1.80 1.85 0.00 3.12 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 92 K 7.68 3.95 0.00 1.82 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.53 7.81 93 A 7.59 4.17 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 94 R 7.81 4.41 0.00 1.23 0.98 0.00 2.21 0.00 0.00 2.49 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.50 0.00 95 S 8.04 4.17 0.00 3.85 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 96 N 7.52 4.91 0.00 2.98 2.85 0.00 0.00 6.77 7.31 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 97 F 7.54 4.76 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.97 4.51 0.00 2.78 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.91 5.56 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.95 0.00 0.00 100 K 9.40 5.01 0.00 1.63 1.70 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.88 1.01 7.81 101 V 7.92 4.63 0.91 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 0.81 0.00 0.00 0.71 0.00 0.00 102 V 8.85 4.76 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 0.77 0.00 0.00 103 G 8.97 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.31 5.34 0.00 3.05 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 0.00 105 S 8.03 5.02 0.00 3.79 3.46 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 0.00 106 S 8.95 4.70 0.00 4.01 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 0.00 107 V 7.31 3.68 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 107A R 8.45 4.10 0.00 1.80 1.98 0.00 3.11 0.00 0.00 3.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 107B G 8.04 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 0.00 0.00 0.00 108 I 7.26 3.91 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.74 0.00 0.00 109 E 7.71 3.75 0.00 2.11 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 2.38 2.44 0.00 110 S 6.15 4.36 0.00 3.86 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.43 4.64 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 112 I 8.70 4.46 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 1.09 0.71 0.84 0.00 0.00 113 I 7.51 4.58 2.07 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.19 1.14 0.00 0.00 114 S 8.70 5.12 0.00 3.77 3.56 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 0.00 115 F 8.55 5.31 0.00 3.24 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 0.00 116 I 8.69 4.49 2.06 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.03 1.24 0.00 0.00 117 V 8.75 4.51 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 0.69 0.00 0.00 0.94 0.00 0.00 118 N 7.76 4.83 0.00 2.68 2.57 0.00 0.00 6.91 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 0.00 119 R 8.26 4.42 0.00 1.51 1.43 0.00 3.34 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 120 P 0.00 4.19 0.00 1.81 1.56 0.00 2.20 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 121 K 8.38 4.17 0.00 1.76 1.92 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.39 7.81 122 H 7.66 4.67 0.00 3.10 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.50 4.67 0.00 2.03 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 2.34 2.42 0.00 124 P 0.00 4.31 0.00 2.15 2.10 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 125 G 7.97 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 0.00 126 F 8.74 5.06 0.00 2.80 2.84 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 0.00 0.00 0.00 127 N 8.63 4.88 0.00 2.01 2.66 0.00 0.00 6.50 6.22 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 0.00 128 L 8.55 5.16 0.00 1.71 1.61 1.00 0.99 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 0.00 129 M 9.16 4.60 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 130 R 8.58 4.11 0.00 1.61 1.71 0.00 3.24 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 131 Q 8.50 4.34 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 7.02 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 132 E 8.72 4.36 0.00 1.86 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 2.26 0.00 133 D 8.67 4.93 0.00 2.51 2.36 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 0.00 134 K 8.61 4.19 0.00 1.85 1.71 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.65 3.55 0.00 3.96 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 0.00 136 R 8.95 4.53 0.00 1.78 1.93 0.00 3.37 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 1.54 1.56 0.00 137 S 8.21 4.46 0.00 3.89 3.77 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 0.00 138 I 8.23 4.84 1.44 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.67 0.13 0.00 0.00 139 K 8.56 4.55 0.00 1.58 1.68 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.50 7.81 140 Y 8.62 5.71 0.00 2.80 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 0.00 141 T 8.51 4.71 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 1.26 0.00 0.00 142 I 8.56 4.95 1.82 0.00 0.00 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 1.18 0.56 0.65 0.00 0.00 143 H 9.02 4.96 0.00 3.10 2.93 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.51 4.08 0.00 3.64 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 0.00 145 Y 8.31 4.45 0.00 3.08 3.05 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 0.00 0.00 0.00 146 E 8.07 3.91 0.00 1.56 1.34 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 2.08 1.47 0.00 147 S 7.50 4.60 0.00 3.60 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 0.00 148 Y 7.81 4.52 0.00 3.22 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 0.00 149 K 7.69 4.60 0.00 1.78 1.68 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.36 7.81 150 P 0.00 4.35 0.00 2.39 2.20 0.00 3.73 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 2.16 1.97 0.00 151 E 9.11 3.85 0.00 2.04 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 2.49 2.47 0.00 152 D 8.10 4.59 0.00 2.86 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 0.00 153 E 8.32 4.58 0.00 2.02 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 2.22 2.23 0.00 154 R 7.48 4.20 0.00 1.61 1.34 0.00 3.16 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 155 Y 8.24 3.96 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.