NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4519 8.3349 115.2931 57.7540 64.0773 173.7021 6 D 4.6415 7.9038 116.9117 53.3688 42.6509 174.2436 7 L 3.8327 8.0008 121.5129 54.9967 43.0094 176.1388 8 I 3.7677 8.4496 120.0838 60.2774 37.6478 174.1131 9 P 4.3506 0.0000 0.0000 62.2048 31.6423 175.9500 10 A 3.2909 8.4609 123.9589 51.3393 18.7342 175.9957 11 P 4.2709 0.0000 0.0000 61.3786 32.3134 174.2575 12 P 4.2990 0.0000 0.0000 62.1949 32.0812 177.2120 13 L 3.4627 8.5667 122.4279 57.9984 41.6367 179.3888 14 S 3.6998 7.9585 113.0020 60.6239 62.8380 175.0211 15 K 4.1534 8.2273 118.3125 56.2860 32.9087 176.5528 16 V 4.0835 7.9094 119.7665 60.2969 30.7422 173.7115 17 P 4.2905 0.0000 0.0000 62.4142 31.8503 175.5118 18 L 4.8323 7.9381 121.8645 52.8147 43.9957 175.8258 19 Q 3.8235 8.1310 126.7306 57.0358 29.9263 177.8214 20 Q 4.1396 8.3209 125.0305 54.6823 27.7482 176.6175 *22 F 4.5621 7.5603 118.1706 58.3900 40.3490 174.5496 23 Q 4.1529 8.4528 129.6872 53.8568 27.2256 176.3331 24 D 4.8395 8.3138 120.6104 54.2057 39.5425 177.2952 25 N 4.7527 7.7621 116.0782 52.6638 37.6629 175.0668 26 Q 4.3358 8.1335 117.9803 56.5535 31.1063 176.4554 27 F 4.8751 8.3265 118.2343 59.8845 39.8516 174.7547 28 H 4.6460 8.2236 115.4282 55.9810 29.1768 173.6256 29 G 3.4580 9.0425 104.8573 43.8136 0.0000 171.6664 30 K 4.5843 7.7041 119.3983 54.7508 33.4921 176.7831 31 W 4.9631 8.6916 126.3808 55.0728 33.0837 173.7906 32 Y 4.8754 9.0412 121.5341 56.6509 39.8154 175.5295 33 V 4.1314 8.3392 124.3231 62.4430 30.4202 175.5143 34 V 3.9657 8.5416 129.8051 64.7314 32.9883 175.9803 35 G 3.5494 7.4395 105.8171 44.0307 0.0000 171.4827 36 L 5.4643 8.8495 124.3792 53.2485 45.7912 174.8549 37 A 5.1743 9.4914 127.3835 50.2916 23.0769 174.8785 38 G 3.9777 8.0658 106.0595 45.7736 0.0000 174.3216 39 N 4.3212 7.8488 117.7874 54.5076 37.4350 176.2156 40 R 4.4702 7.7528 116.0378 55.8069 31.1038 175.1894 41 I 4.2702 7.5139 120.7748 59.7156 38.3769 174.5307 42 L 4.9624 8.1356 124.2711 52.5469 44.4771 176.3506 43 R 4.0129 9.3069 126.8469 56.5326 30.9282 175.9683 44 D 4.6086 8.5984 125.3253 52.8238 42.9023 175.1720 45 D 4.4973 8.8622 125.6656 56.3644 41.1375 177.9832 46 Q 4.1965 8.4991 117.9358 57.9469 29.3954 176.0669 47 H 4.8959 8.2143 114.4126 52.9339 29.2112 171.3049 48 P 4.3970 0.0000 0.0000 62.9106 32.5248 176.3347 49 M 4.4321 8.3742 120.0200 54.8697 33.6696 175.0302 50 N 4.9040 8.6759 123.0999 53.0879 39.7129 174.7005 51 M 4.5560 8.8918 123.1480 56.0010 33.3793 174.5845 52 Y 5.1611 8.5603 121.0935 55.3845 42.6312 173.2652 53 A 5.2417 8.8861 119.9972 50.4352 23.0071 175.2795 54 T 4.8813 8.6447 115.3877 61.7519 72.7770 173.1318 55 I 4.6192 8.6770 126.9890 59.6183 40.2603 174.1205 56 Y 4.7995 9.0823 125.6272 56.5819 39.7289 174.7673 57 E 5.0344 9.0736 125.6993 54.0737 31.7804 175.6772 58 L 4.0945 8.8228 127.8941 55.3424 42.7074 176.9170 59 K 4.4188 8.8646 126.7600 55.1473 34.1547 176.8498 60 E 4.0722 8.9157 119.6565 60.1650 29.3320 179.7264 61 D 4.3730 7.9684 112.7078 53.7621 38.7914 177.5190 62 K 3.9572 8.0903 118.1611 57.1608 31.2719 176.1936 63 S 4.7685 7.9936 114.0100 58.3999 64.2887 171.9437 64 Y 5.3553 9.1922 120.0318 56.2895 41.1531 174.9761 65 N 4.9224 9.2956 121.3242 52.1563 40.4060 174.3355 66 V 4.3262 8.8808 125.7381 61.4733 33.4058 174.3526 67 T 4.9402 8.4644 125.7333 61.9568 70.9399 173.7714 68 S 5.0437 8.8493 122.7543 56.7276 65.6854 173.2045 69 V 4.1634 8.7969 124.9757 61.0769 33.4283 174.3398 70 I 4.9406 8.4966 128.3626 59.4814 41.2393 174.3439 71 S 5.1911 8.5620 119.7747 56.9013 63.8316 173.7537 72 S 4.3581 9.5486 123.7050 58.7307 67.1751 174.0827 73 H 3.8831 9.4126 122.6331 57.1816 25.7827 175.3085 74 K 3.9770 8.3014 112.6838 56.8921 29.9333 176.1177 75 K 4.7444 7.8138 117.7604 54.7959 35.8827 174.1227 76 C 5.3230 8.6571 117.7312 55.6185 43.1434 173.0793 77 E 4.8280 9.6566 123.9249 54.8405 31.8984 174.3829 78 Y 5.0652 8.9008 122.7007 56.4684 39.8120 175.3176 79 T 4.8362 8.7052 113.7488 59.9452 72.5865 172.9079 80 I 5.1568 8.3277 122.2076 59.7582 41.0503 174.4943 81 A 4.7478 8.8379 125.5247 50.7396 23.4660 174.9467 82 T 4.9706 8.5185 115.7308 61.9538 71.3389 173.5448 83 F 5.4789 9.2001 126.4269 56.5546 40.4996 175.3316 84 V 4.6580 9.1097 118.9652 59.3831 33.1378 174.2914 85 P 4.3873 0.0000 0.0000 63.6926 31.6087 176.7998 86 G 4.1695 8.6618 113.8285 45.6995 0.0000 174.2873 87 S 4.3292 8.7850 114.5371 60.4313 63.7643 174.1731 88 Q 4.4828 7.3668 118.1750 52.7189 32.2615 172.5618 89 P 4.1677 0.0000 0.0000 66.0841 31.0767 176.6684 90 G 2.2352 7.8954 111.6174 43.8965 0.0000 171.1507 91 E 4.7155 7.0142 120.5118 54.0775 32.5627 174.8660 92 F 5.4766 8.8223 124.0556 56.5084 44.5128 172.6319 93 T 5.0424 8.9417 113.3068 61.0044 71.3588 171.7452 94 L 5.1726 8.9879 122.1939 54.3444 43.5421 176.1015 95 G 4.1317 8.6030 117.1261 46.6437 0.0000 170.2942 *104 T 4.2134 7.5543 119.4152 62.0470 68.8151 173.0412 105 S 4.7037 8.5486 122.6586 57.7141 67.5451 172.5054 106 Y 5.3945 8.8948 125.6811 55.7684 41.9494 174.0242 107 L 5.0634 8.3978 125.5121 52.9000 45.8426 175.6275 108 V 4.5670 8.6503 122.9818 61.1537 35.3819 174.7498 109 R 4.6007 8.2053 126.9501 55.1350 33.3453 174.1427 110 V 3.7831 8.4358 128.7029 63.4003 31.9381 176.6459 111 V 4.3289 9.0035 129.3018 64.6112 32.4104 176.2873 112 S 4.5660 7.6346 111.9211 57.8701 65.5546 173.7506 113 T 3.8664 8.1871 119.6574 61.0049 70.0123 172.5042 114 D 4.5413 7.1349 125.0596 52.5315 39.7536 178.2669 115 Y 4.1660 7.9624 116.3112 59.2825 37.2568 169.9554 116 N 4.9854 8.4060 113.6275 52.0713 38.7882 173.5984 117 Q 4.7039 8.3813 117.7120 57.2561 30.8543 174.5433 118 Y 5.8179 9.3481 114.6804 54.3456 42.4714 173.1311 119 A 4.3532 8.0298 115.9768 51.0620 22.4681 175.3517 120 V 4.7789 8.8341 122.7518 61.0643 34.2605 174.5670 121 V 4.7012 8.4702 127.3152 60.9302 35.1058 173.6480 122 F 5.3547 8.4685 128.0922 56.4094 42.0964 174.0840 123 F 4.8856 8.8013 123.7965 55.5203 42.8291 174.0362 124 K 4.3758 7.8914 122.4898 54.8795 35.8677 174.5671 125 L 5.1599 8.4294 128.8129 52.9883 43.6783 174.6702 126 A 4.1066 8.9015 128.0072 51.5805 19.7359 176.7046 127 E 3.5703 8.3612 119.1885 57.2569 26.4005 173.1443 *131 E 4.3839 7.6270 115.5658 55.8416 31.3606 174.6928 132 F 4.7979 7.5908 112.7693 57.5324 41.9713 172.2276 133 F 4.9120 8.4954 111.9684 55.9021 41.1701 173.2910 134 A 4.8601 9.1460 122.4988 50.8623 23.3756 174.8179 135 I 5.5452 9.3937 119.3566 60.0808 41.8629 174.9652 136 T 4.9993 9.0848 114.1740 60.1875 72.8234 172.7601 137 I 4.2562 7.6399 123.2523 59.0601 39.5727 174.2102 138 Y 4.8611 8.8420 127.6747 57.8769 39.2553 175.2607 139 G 4.6683 9.6647 109.2476 44.5439 0.0000 173.8193 140 R 3.8469 9.7265 125.2575 58.5513 31.1838 176.1177 141 T 4.9078 7.9082 108.0094 59.7549 71.4371 174.2901 142 K 4.2139 8.3550 119.1580 56.6513 31.8988 176.6965 143 E 4.8229 7.6833 116.4036 55.0356 33.6385 174.4445 144 L 4.9048 8.1898 120.3735 52.2106 45.6573 176.3970 145 A 4.0292 8.5989 123.2725 52.6565 18.9987 178.6148 146 S 4.0468 9.0150 117.4799 61.9516 62.3481 176.6152 147 E 4.0137 8.1336 120.5322 59.3445 29.3492 179.0615 148 L 3.9382 8.2176 119.4487 57.4982 41.5638 179.8483 149 K 4.2219 8.0034 117.9694 59.7211 32.1738 178.8073 150 E 4.0730 8.0501 118.3259 59.9216 29.3335 179.4169 151 N 4.3830 8.2371 116.0301 56.2305 38.4620 177.2673 152 F 4.3447 8.2803 122.1564 61.3266 39.4055 177.3626 153 I 3.6005 8.4133 120.0073 64.2790 36.9249 178.5802 154 R 3.9143 8.2461 119.0785 59.2750 29.4177 178.8651 155 F 4.2234 8.4981 120.5988 61.3557 39.3683 177.2332 156 S 3.8787 8.0851 115.0770 61.5470 62.6219 176.9514 157 K 4.7093 8.5333 123.0100 58.9486 31.6147 179.5004 158 S 4.4103 8.2896 113.4826 60.4100 62.8021 175.3989 159 L 4.3630 7.0032 120.3926 54.1719 41.6477 176.9655 160 G 3.8576 8.4546 107.6007 45.2197 0.0000 173.3750 161 L 4.4590 7.7875 120.8311 51.9553 42.4981 174.9424 162 P 4.7535 0.0000 0.0000 61.7123 32.6504 176.8522 163 E 3.9903 8.7539 119.1658 59.2196 29.6237 177.8340 164 N 4.6686 8.2298 114.1856 54.3782 37.9730 175.3389 165 H 5.6479 8.3205 115.9289 54.9289 29.1366 173.4628 166 I 5.1268 7.6408 119.5650 59.7172 40.0087 175.4234 167 V 4.6858 9.1306 119.3111 59.6638 36.2382 174.9385 168 F 4.8744 8.8035 121.1802 53.7922 40.3497 173.0234 169 P 4.5337 0.0000 0.0000 63.0796 32.1187 176.2924 170 V 3.8916 9.0535 124.3874 61.9124 32.6034 173.5831 171 P 4.7003 0.0000 0.0000 62.7126 31.6155 175.8209 172 I 4.5890 8.2903 116.7896 59.4005 40.3629 174.8323 173 D 4.9140 8.6048 119.9923 54.1641 41.2780 176.2548 174 Q 4.6618 7.5675 118.5212 55.1840 31.4382 178.1739 175 C 4.1811 8.9190 116.2364 58.0144 39.4392 174.1301 176 I 4.4127 7.8861 110.7086 60.3795 37.5358 175.4065 177 D 4.6735 8.0841 126.2042 54.8803 41.1590 175.8258 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 5 S 8.33 4.45 0.00 3.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.90 4.64 0.00 2.74 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 7 L 8.00 3.83 0.00 1.61 1.67 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.45 3.77 2.00 0.00 0.00 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 1.42 0.90 0.91 0.00 0.00 9 P 0.00 4.35 0.00 2.18 2.12 0.00 3.82 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 10 A 8.46 3.29 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.27 0.00 1.91 1.92 0.00 2.60 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 12 P 0.00 4.30 0.00 2.14 2.13 0.00 3.57 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 1.94 1.89 0.00 13 L 8.57 3.46 0.00 1.62 1.60 0.80 0.82 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 14 S 7.96 3.70 0.00 3.77 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 15 K 8.23 4.15 0.00 1.62 1.70 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.23 7.81 16 V 7.91 4.08 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.05 0.00 0.00 17 P 0.00 4.29 0.00 2.08 1.89 0.00 3.69 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 18 L 7.94 4.83 0.00 1.39 1.41 0.73 0.57 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 19 Q 8.13 3.82 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.26 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 20 Q 8.32 4.14 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.39 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 *22 F 7.56 4.56 0.00 3.02 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 23 Q 8.45 4.15 0.00 1.30 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.62 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 24 D 8.31 4.84 0.00 3.00 3.24 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 0.00 25 N 7.76 4.75 0.00 2.67 2.83 0.00 0.00 5.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.13 4.34 0.00 1.18 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.03 1.88 0.00 27 F 8.33 4.88 0.00 3.34 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.22 4.65 0.00 3.61 3.57 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.04 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 0.00 0.00 0.00 30 K 7.70 4.58 0.00 1.49 1.34 0.00 1.36 0.00 0.00 1.04 0.00 0.00 2.63 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.65 1.02 7.81 31 W 8.69 4.96 0.00 2.48 2.48 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 0.00 0.00 0.00 0.00 32 Y 9.04 4.88 0.00 3.24 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 33 V 8.34 4.13 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 0.61 0.00 0.00 0.35 0.00 0.00 34 V 8.54 3.97 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 1.00 0.00 0.00 1.11 0.00 0.00 35 G 7.44 3.55 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 0.00 36 L 8.85 5.46 0.00 1.66 1.47 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.49 5.17 1.15 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 0.00 0.00 38 G 8.07 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 39 N 7.85 4.32 0.00 2.74 2.71 0.00 0.00 6.81 7.54 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 40 R 7.75 4.47 0.00 1.66 1.85 0.00 3.08 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 41 I 7.51 4.27 2.18 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.95 0.90 0.00 0.00 42 L 8.14 4.96 0.00 1.41 1.48 0.88 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 43 R 9.31 4.01 0.00 1.96 1.90 0.00 3.45 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 44 D 8.60 4.61 0.00 2.70 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 45 D 8.86 4.50 0.00 2.72 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 46 Q 8.50 4.20 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.24 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 47 H 8.21 4.90 0.00 3.02 3.19 0.00 5.86 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.40 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 49 M 8.37 4.43 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 50 N 8.68 4.90 0.00 2.67 2.76 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.89 4.56 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.57 0.00 52 Y 8.56 5.16 0.00 3.22 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 53 A 8.89 5.24 1.15 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 0.00 0.00 54 T 8.64 4.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 55 I 8.68 4.62 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.60 0.81 0.00 0.00 56 Y 9.08 4.80 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 5.03 0.00 1.98 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 2.24 2.23 0.00 58 L 8.82 4.09 0.00 1.70 1.57 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.86 4.42 0.00 1.88 1.78 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.47 7.81 60 E 8.92 4.07 0.00 2.04 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 2.41 2.32 0.00 61 D 7.97 4.37 0.00 2.80 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 62 K 8.09 3.96 0.00 2.03 2.11 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 63 S 7.99 4.77 0.00 4.08 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 64 Y 9.19 5.36 0.00 3.13 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 65 N 9.30 4.92 0.00 2.87 2.77 0.00 0.00 6.38 8.26 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 66 V 8.88 4.33 1.51 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 0.25 0.00 0.00 0.20 0.00 0.00 67 T 8.46 4.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 68 S 8.85 5.04 0.00 3.69 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 69 V 8.80 4.16 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 0.48 0.00 0.00 0.40 0.00 0.00 70 I 8.50 4.94 1.77 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 0.99 0.84 0.80 0.00 0.00 71 S 8.56 5.19 0.00 3.88 3.76 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 72 S 9.55 4.36 0.00 3.88 3.49 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 0.00 73 H 9.41 3.88 0.00 3.29 3.32 0.00 5.82 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.30 3.98 0.00 1.94 1.95 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.46 7.81 75 K 7.81 4.74 0.00 1.95 1.67 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.55 7.81 76 C 8.66 5.32 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 77 E 9.66 4.83 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 78 Y 8.90 5.07 0.00 2.77 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 79 T 8.71 4.84 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 1.19 0.00 0.00 80 I 8.33 5.16 1.86 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 1.29 0.69 0.94 0.00 0.00 81 A 8.84 4.75 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.52 4.97 4.36 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 1.37 0.00 0.00 83 F 9.20 5.48 0.00 3.06 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 84 V 9.11 4.66 2.23 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 0.86 0.00 0.00 1.13 0.00 0.00 85 P 0.00 4.39 0.00 1.99 2.02 0.00 3.83 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.46 0.00 86 G 8.66 4.17 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 0.00 0.00 0.00 87 S 8.79 4.33 0.00 3.93 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 0.00 88 Q 7.37 4.48 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.11 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 89 P 0.00 4.17 0.00 2.07 2.13 0.00 3.57 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 90 G 7.90 2.24 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 0.00 0.00 0.00 0.00 91 E 7.01 4.72 0.00 1.68 1.60 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 1.64 1.01 1.43 0.00 0.00 136 T 9.08 5.00 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 1.28 0.00 0.00 137 I 7.64 4.26 1.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.41 0.04 0.00 0.00 138 Y 8.84 4.86 0.00 2.30 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 0.00 139 G 9.66 4.67 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 0.00 140 R 9.73 3.85 0.00 2.05 2.00 0.00 2.78 0.00 0.00 2.92 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 141 T 7.91 4.91 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 1.27 0.00 0.00 142 K 8.35 4.21 0.00 1.56 1.64 0.00 1.41 0.00 0.00 1.17 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.59 7.81 143 E 7.68 4.82 0.00 2.00 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 2.26 2.27 0.00 144 L 8.19 4.90 0.00 1.67 1.60 1.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.60 4.03 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 0.00 146 S 9.01 4.05 0.00 3.88 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 0.00 147 E 8.13 4.01 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 148 L 8.22 3.94 0.00 1.79 1.57 1.05 0.16 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 0.00 149 K 8.00 4.22 0.00 2.00 2.12 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.79 1.78 7.81 150 E 8.05 4.07 0.00 2.20 2.06 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 2.35 2.55 0.00 151 N 8.24 4.38 0.00 2.95 2.87 0.00 0.00 6.68 8.02 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 0.00 152 F 8.28 4.34 0.00 3.18 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 0.00 153 I 8.41 3.60 2.11 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.14 0.96 0.00 0.00 154 R 8.25 3.91 0.00 2.04 2.02 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.96 0.00 155 F 8.50 4.22 0.00 3.17 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.09 3.88 0.00 3.83 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 0.00 157 K 8.53 4.71 0.00 1.90 1.82 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.47 7.81 158 S 8.29 4.41 0.00 3.91 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 0.00 159 L 7.00 4.36 0.00 1.69 1.63 0.53 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.45 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 0.00 0.00 0.00 161 L 7.79 4.46 0.00 1.75 1.57 0.87 0.83 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 0.00 162 P 0.00 4.75 0.00 2.25 2.21 0.00 3.68 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 2.29 2.01 0.00 163 E 8.75 3.99 0.00 2.05 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 2.43 2.39 0.00 164 N 8.23 4.67 0.00 2.89 3.05 0.00 0.00 6.17 7.90 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 0.00 165 H 8.32 5.65 0.00 3.37 3.39 0.00 5.56 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 0.00 166 I 7.64 5.13 2.11 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 1.17 0.75 1.06 0.00 0.00 167 V 9.13 4.69 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 168 F 8.80 4.87 0.00 2.91 3.06 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 0.00 169 P 0.00 4.53 0.00 2.17 2.23 0.00 3.74 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 2.12 2.20 0.00 170 V 9.05 3.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.97 0.00 0.00 171 P 0.00 4.70 0.00 1.94 1.89 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 172 I 8.29 4.59 1.88 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 1.43 0.68 1.03 0.00 0.00 173 D 8.60 4.91 0.00 2.67 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 0.00 174 Q 7.57 4.66 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.03 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 175 C 8.92 4.18 0.00 3.14 3.22 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 0.00 176 I 7.89 4.41 2.19 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 1.52 0.73 1.02 0.00 0.00 177 D 8.08 4.67 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 * Residues marked with a * may have inaccurate shift predictions.