NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 S 4.5168 8.1927 115.5693 58.4002 67.2788 174.6322 28 L 4.9548 8.7869 124.1076 52.2547 43.3872 172.9651 29 L 4.5681 9.9657 131.5571 53.9799 44.3736 174.6177 30 I 4.8843 8.3970 127.3692 59.9497 39.1153 174.6857 31 V 4.9266 8.6189 127.2277 61.1397 34.6606 174.5574 32 V 5.0016 8.8354 120.7413 59.9951 34.0459 174.8117 33 A 5.3182 9.0412 124.6013 50.4838 23.2237 174.3154 34 C 5.2868 8.9626 118.6117 57.7122 34.8235 173.9186 35 A 4.7265 9.3583 128.8173 50.7216 19.2742 175.7275 36 L 4.8142 8.3989 121.5774 55.4444 43.1804 176.0699 37 L 5.5555 9.1276 124.2611 53.1762 44.0939 176.5034 38 D 4.5674 8.7599 123.6062 51.3661 41.2229 176.9113 39 Q 4.0988 8.3571 116.5244 59.1433 28.0060 177.5331 40 D 4.7130 8.0432 115.1479 53.4999 41.1826 175.9334 41 N 4.2568 8.5478 115.5144 54.1242 36.7855 174.6970 42 R 4.1353 7.8568 117.2610 56.2931 31.4799 175.7467 43 V 5.4538 8.6318 121.7060 60.3533 34.4384 174.1735 44 L 3.8140 8.1263 129.1003 54.0726 42.6266 175.6036 45 L 4.9571 8.3716 126.1686 53.0710 45.2567 175.4716 46 T 5.2687 8.8162 110.6868 59.9989 72.6555 172.4843 47 Q 4.5013 8.2865 124.3223 52.8071 31.4286 174.9424 48 R 4.2644 8.4023 125.8236 55.4753 31.3265 174.7688 49 P 4.3725 0.0000 0.0000 62.5789 32.2203 176.4577 50 E 4.2180 8.2873 118.0259 57.0255 31.3020 180.3115 51 G 3.8852 7.8331 105.6292 46.7889 0.0000 173.8725 52 K 4.5933 8.9248 117.7926 55.5777 32.9237 175.9214 53 S 4.2238 7.7263 116.5846 58.4435 64.1069 173.6012 54 L 4.6920 8.2833 119.5700 53.5620 43.1032 172.4920 55 A 3.9810 8.4160 121.1699 52.5532 18.9697 179.8272 56 G 3.7685 7.7032 107.8464 46.2426 0.0000 172.9474 57 L 4.6926 8.2715 119.8131 53.2131 44.5345 175.8008 58 W 4.8408 9.0088 121.7658 56.1903 30.4980 175.6361 59 E 4.6864 9.1169 121.4152 54.4894 33.2749 174.3755 60 F 4.6242 8.6494 119.6763 56.6722 39.6897 174.0959 61 P 4.4007 0.0000 0.0000 62.5172 32.6933 176.5174 62 G 4.1959 8.0115 107.8358 47.6381 0.0000 170.7222 63 G 4.0221 7.5714 105.6132 45.3255 0.0000 172.9582 64 K 4.6053 8.7097 121.5818 56.1761 32.8221 176.7104 65 V 3.8130 8.4387 127.7580 63.1182 31.6136 175.3818 66 E 4.5955 8.6482 129.6980 54.9291 31.5073 176.1553 67 Q 4.1214 8.3338 119.6493 56.6774 28.4925 178.0062 68 G 4.0525 9.2554 110.5899 44.4797 0.0000 172.7480 69 E 4.6883 7.7208 118.1876 53.4868 33.0751 175.8611 70 T 4.1218 8.2415 113.0050 61.1590 70.8683 173.6157 71 P 4.3085 0.0000 0.0000 65.7200 31.2016 178.9770 72 E 3.5484 8.0734 116.7782 59.1899 29.5053 178.8408 73 A 3.9231 8.1054 120.9702 55.2648 18.3052 179.8370 74 S 4.2066 7.9578 114.8185 61.1052 62.8697 176.6000 75 L 3.8796 7.7562 122.8804 58.2404 41.6411 179.0805 76 I 3.5873 7.8676 119.8831 64.2338 36.9508 178.2488 77 R 3.8524 7.9803 119.4215 59.6127 29.9107 178.1910 78 E 3.9241 8.3303 118.4161 59.6454 29.5051 179.5060 79 L 4.0179 8.1612 119.0458 57.5462 41.5667 179.3541 80 E 4.0173 7.8161 120.7389 58.7132 29.4270 178.6392 81 E 3.9212 8.1418 117.5389 59.5221 29.9076 178.8013 82 E 4.2590 8.6510 118.5440 57.8065 29.8443 177.8189 83 L 5.4399 7.2765 114.9958 52.0104 43.6892 177.2358 84 G 3.7640 8.0579 106.3827 46.5184 0.0000 173.8539 85 V 4.6691 7.4265 111.5932 59.7192 34.7708 174.6125 86 H 5.1659 9.3160 120.6537 54.0999 31.5020 172.8906 87 V 4.7159 8.3828 123.3094 61.0399 33.5560 175.2619 88 Q 4.2230 8.6744 126.2734 55.1269 29.9166 176.7933 89 A 3.8512 8.6135 124.4127 55.4410 18.5615 179.6057 90 D 4.3025 8.0613 114.1745 56.8941 40.9220 176.9988 91 N 4.5282 7.8287 114.4489 52.4761 38.8595 173.7559 92 L 4.5075 7.0069 121.4951 53.1674 43.7607 175.5462 93 F 4.9221 8.5549 125.3274 54.6710 41.8631 173.1544 94 P 4.0855 0.0000 0.0000 63.5979 31.2693 174.3261 95 L 4.7220 8.8350 124.4282 56.4668 44.1413 175.8948 96 T 4.7239 7.2926 110.4959 61.5332 70.6001 170.9104 97 F 5.4488 8.1632 114.8259 55.4018 41.2470 173.5789 98 A 4.8002 9.1950 121.5649 50.3018 22.0924 175.6055 99 S 5.0565 8.4923 114.1253 56.9546 65.4146 172.8167 100 H 4.5318 9.0095 126.9904 54.4081 33.4004 172.1964 101 G 3.8804 8.2574 113.4349 45.8504 0.0000 172.8890 102 Y 4.7484 7.9692 124.0931 55.8232 40.0433 176.7280 103 E 4.0509 8.9722 120.6422 59.8102 29.3796 178.8255 104 T 4.6542 8.0181 110.5098 63.2043 70.1655 173.4308 105 F 5.2235 7.8925 114.9524 55.8787 41.9808 172.4843 106 H 5.0163 9.4662 120.1818 54.4062 32.1736 172.7866 107 L 5.2236 8.4394 127.7368 53.3182 44.4657 174.4636 108 L 5.0655 8.8085 128.4605 53.7224 44.5490 174.6740 109 M 5.6139 9.5218 126.9213 51.7225 34.4675 171.9449 110 P 4.8080 0.0000 0.0000 62.4193 32.9796 174.8009 111 L 5.0993 9.1500 127.0082 53.7870 44.0145 175.1661 112 Y 5.2823 9.2713 124.5505 56.6940 40.7491 174.4450 113 F 5.7011 9.3026 115.9359 55.8280 41.8630 174.0683 114 C 5.1679 9.1941 119.2724 59.0537 34.7567 174.2553 115 S 5.0844 9.4476 119.9086 58.3015 63.9070 173.1472 116 H 4.7419 8.2866 120.9419 54.6133 31.7047 171.5897 117 Y 4.8998 7.4651 123.0136 55.8262 40.6155 173.6079 118 K 4.2477 9.3876 123.0038 56.3418 33.4838 177.4311 119 G 4.3302 8.8253 109.7833 45.7978 0.0000 172.5117 120 V 4.2075 7.9551 118.8576 60.8294 32.5897 175.6376 121 A 4.5398 8.9512 129.4243 52.7442 18.8393 176.4510 122 Q 4.5126 9.0298 119.6724 54.6295 32.7455 174.6993 123 G 4.1486 8.7026 108.9121 45.9564 0.0000 173.6363 124 R 4.4014 8.6514 126.1122 56.7020 29.8570 177.5040 125 E 4.5549 8.5563 119.2252 55.9931 30.1279 177.3710 126 G 3.8281 8.3341 104.4249 46.0615 0.0000 174.2607 127 Q 4.4660 7.2140 117.5915 55.2196 30.2536 175.1285 128 N 4.8933 8.6028 117.7402 52.4849 40.5569 174.1878 129 L 5.3465 8.5027 120.9855 53.0414 44.8923 175.9141 130 K 4.4237 8.7068 122.9681 54.6357 35.9326 174.6345 131 W 4.9034 8.6905 127.0152 55.4716 30.4577 175.6654 132 I 4.4913 8.4855 125.4205 58.9034 40.4896 175.0907 133 F 4.3324 8.8301 124.9922 58.0529 39.4515 176.3933 134 I 3.7920 9.0102 123.5502 64.8502 37.0813 177.6487 135 N 4.6318 8.2574 114.9330 54.9494 38.8458 175.7266 136 D 4.8111 8.4800 118.1643 54.5554 41.6227 178.1543 137 L 4.0800 7.6789 120.7322 57.8098 41.5074 178.2991 138 D 4.7399 7.9380 114.8363 54.2673 39.7639 177.5199 139 K 4.0574 8.0779 119.7140 57.3516 32.6188 175.9745 140 Y 4.7568 7.0627 116.7112 54.8911 40.6256 173.9989 141 P 4.5203 0.0000 0.0000 63.5522 32.3238 175.1115 142 M 5.5787 8.4485 122.4120 51.3022 36.5928 173.5349 143 P 4.4588 0.0000 0.0000 62.5937 31.9724 177.4261 144 E 3.9678 9.2037 120.9467 59.9833 29.0927 179.8570 145 A 3.8303 7.8101 119.2022 55.0209 18.2319 179.0552 146 D 4.6477 8.1976 116.7912 56.8357 41.0379 179.0397 147 K 4.0621 7.7479 118.5305 59.1346 31.9477 177.4876 148 P 4.3126 0.0000 0.0000 65.3290 31.2306 178.3849 149 L 3.9321 7.6847 117.4854 57.9529 41.6662 179.6710 150 V 3.7859 7.7629 117.4820 66.2730 31.2124 178.1887 151 Q 4.1319 8.0599 117.3168 58.9127 28.7755 178.6290 152 V 3.6919 7.6577 119.5066 65.8436 31.5630 177.9832 153 L 4.1649 8.1580 118.9021 57.6689 41.1849 179.7624 154 K 4.0248 7.5561 116.4180 59.6010 32.1633 178.4773 155 N 4.4672 7.6290 116.4287 57.4595 38.6114 177.7781 *156 F 4.0573 7.8444 119.6434 60.5848 38.1776 177.1284 157 F 4.5672 8.0207 120.9386 57.5861 39.0934 175.2038 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 27 S 8.19 4.52 0.00 3.96 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 4.95 0.00 1.77 1.65 1.09 0.59 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 29 L 9.97 4.57 0.00 1.90 1.96 0.90 0.86 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 30 I 8.40 4.88 1.91 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 1.27 1.05 0.95 0.00 0.00 31 V 8.62 4.93 2.19 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 1.08 0.00 0.00 1.01 0.00 0.00 32 V 8.84 5.00 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 0.80 0.00 0.00 1.09 0.00 0.00 33 A 9.04 5.32 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.96 5.29 0.00 2.98 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 35 A 9.36 4.73 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.40 4.81 0.00 1.58 1.72 0.59 0.22 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 37 L 9.13 5.56 0.00 1.69 1.64 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.76 4.57 0.00 2.33 1.61 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 39 Q 8.36 4.10 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.08 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 40 D 8.04 4.71 0.00 2.63 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 41 N 8.55 4.26 0.00 2.89 2.90 0.00 0.00 6.93 7.64 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 42 R 7.86 4.14 0.00 2.00 1.93 0.00 2.86 0.00 0.00 2.67 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.61 0.00 43 V 8.63 5.45 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 1.53 0.00 0.00 0.94 0.00 0.00 44 L 8.13 3.81 0.00 0.27 0.80 -0.23 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.37 4.96 0.00 1.42 1.56 0.68 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.82 5.27 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 1.12 0.00 0.00 47 Q 8.29 4.50 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 1.72 1.44 0.00 48 R 8.40 4.26 0.00 1.68 1.75 0.00 3.13 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 49 P 0.00 4.37 0.00 2.12 2.24 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 50 E 8.29 4.22 0.00 2.23 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 2.32 2.24 0.00 51 G 7.83 3.89 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 0.00 0.00 0.00 52 K 8.92 4.59 0.00 1.73 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 53 S 7.73 4.22 0.00 3.78 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 54 L 8.28 4.69 0.00 1.37 1.51 0.92 0.76 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 55 A 8.42 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.70 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 0.00 0.00 0.00 57 L 8.27 4.69 0.00 1.57 1.60 0.98 0.91 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 58 W 9.01 4.84 0.00 3.40 2.99 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 59 E 9.12 4.69 0.00 2.21 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 0.00 2.35 2.29 0.00 60 F 8.65 4.62 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.40 0.00 2.09 2.13 0.00 4.13 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.89 0.00 62 G 8.01 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 63 G 7.57 4.02 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 0.00 0.00 0.00 64 K 8.71 4.61 0.00 1.78 1.72 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 65 V 8.44 3.81 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 0.81 0.00 0.00 0.97 0.00 0.00 66 E 8.65 4.60 0.00 2.17 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 2.24 2.36 0.00 67 Q 8.33 4.12 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 68 G 9.26 4.05 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 0.00 0.00 0.00 69 E 7.72 4.69 0.00 2.14 1.78 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 2.20 2.19 0.00 70 T 8.24 4.12 4.39 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 0.00 0.00 0.00 1.20 0.00 0.00 71 P 0.00 4.31 0.00 2.33 2.26 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 72 E 8.07 3.55 0.00 1.95 1.79 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 2.30 2.12 0.00 73 A 8.11 3.92 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 74 S 7.96 4.21 0.00 4.04 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 75 L 7.76 3.88 0.00 1.73 1.56 0.92 0.90 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 76 I 7.87 3.59 1.80 0.00 0.00 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 1.31 0.86 0.93 0.00 0.00 77 R 7.98 3.85 0.00 1.86 2.04 0.00 3.21 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 78 E 8.33 3.92 0.00 2.14 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 2.46 2.50 0.00 79 L 8.16 4.02 0.00 1.60 1.62 0.83 1.02 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 80 E 7.82 4.02 0.00 1.98 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 2.27 2.13 0.00 81 E 8.14 3.92 0.00 2.07 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 2.33 2.48 0.00 82 E 8.65 4.26 0.00 2.02 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 0.00 2.55 2.44 0.00 83 L 7.28 5.44 0.00 1.73 1.59 0.80 0.57 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 84 G 8.06 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 0.00 0.00 0.00 85 V 7.43 4.67 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 0.96 0.00 0.00 0.77 0.00 0.00 86 H 9.32 5.17 0.00 3.06 3.21 0.00 5.57 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.38 4.72 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 0.75 0.00 0.00 0.91 0.00 0.00 88 Q 8.67 4.22 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 89 A 8.61 3.85 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 90 D 8.06 4.30 0.00 2.63 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 91 N 7.83 4.53 0.00 2.81 2.87 0.00 0.00 6.77 7.37 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 92 L 7.01 4.51 0.00 1.38 1.37 0.75 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 93 F 8.55 4.92 0.00 1.60 2.72 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 0.00 0.00 0.00 0.00 94 P 0.00 4.09 0.00 1.97 1.88 0.00 3.81 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 95 L 8.83 4.72 0.00 2.02 1.94 0.90 1.32 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 96 T 7.29 4.72 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 1.13 0.00 0.00 97 F 8.16 5.45 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 9.19 4.80 1.25 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 99 S 8.49 5.06 0.00 4.09 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 0.00 100 H 9.01 4.53 0.00 3.02 2.62 0.00 5.82 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 0.00 101 G 8.26 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 0.00 0.00 0.00 102 Y 7.97 4.75 0.00 2.04 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 0.00 103 E 8.97 4.05 0.00 2.02 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 2.37 2.43 0.00 104 T 8.02 4.65 4.44 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 1.30 0.00 0.00 105 F 7.89 5.22 0.00 3.38 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 H 9.47 5.02 0.00 3.26 3.23 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.44 5.22 0.00 2.01 1.45 1.21 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.81 5.07 0.00 1.88 1.56 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.52 5.61 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.39 0.00 110 P 0.00 4.81 0.00 2.10 1.83 0.00 3.93 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 111 L 9.15 5.10 0.00 1.55 1.55 0.59 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 9.27 5.28 0.00 2.88 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 0.00 113 F 9.30 5.70 0.00 3.40 3.28 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 0.00 114 C 9.19 5.17 0.00 3.04 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 0.00 115 S 9.45 5.08 0.00 4.19 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 0.00 116 H 8.29 4.74 0.00 3.15 3.30 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 Y 7.47 4.90 0.00 3.21 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 0.00 118 K 9.39 4.25 0.00 1.78 1.79 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.38 7.81 119 G 8.83 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.96 4.21 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 0.93 0.00 0.00 0.96 0.00 0.00 121 A 8.95 4.54 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 9.03 4.51 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 123 G 8.70 4.15 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 0.00 124 R 8.65 4.40 0.00 1.99 1.98 0.00 3.11 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 125 E 8.56 4.55 0.00 2.03 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 2.19 2.18 0.00 126 G 8.33 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 0.00 127 Q 7.21 4.47 0.00 2.31 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 128 N 8.60 4.89 0.00 2.46 2.89 0.00 0.00 7.11 6.25 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 0.00 129 L 8.50 5.35 0.00 1.49 1.46 0.89 0.80 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 0.00 130 K 8.71 4.42 0.00 0.96 0.74 0.00 0.61 0.00 0.00 1.10 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.92 1.08 7.81 131 W 8.69 4.90 0.00 3.05 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 0.00 132 I 8.49 4.49 1.62 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.39 0.85 0.00 0.00 133 F 8.83 4.33 0.00 3.25 2.99 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 0.00 134 I 9.01 3.79 1.95 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.99 0.00 0.00 135 N 8.26 4.63 0.00 2.72 2.89 0.00 0.00 6.84 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 0.00 136 D 8.48 4.81 0.00 2.96 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 0.00 137 L 7.68 4.08 0.00 1.72 1.75 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 138 D 7.94 4.74 0.00 2.84 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 0.00 139 K 8.08 4.06 0.00 1.65 1.55 0.00 1.65 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.55 7.81 140 Y 7.06 4.76 0.00 2.93 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 0.00 141 P 0.00 4.52 0.00 2.22 2.28 0.00 3.95 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.15 0.00 142 M 8.45 5.58 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.62 0.00 143 P 0.00 4.46 0.00 2.45 2.06 0.00 3.69 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 144 E 9.20 3.97 0.00 1.99 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 0.00 2.51 2.44 0.00 145 A 7.81 3.83 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.20 4.65 0.00 3.06 2.99 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 0.00 147 K 7.75 4.06 0.00 2.00 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.51 1.72 7.81 148 P 0.00 4.31 0.00 2.11 2.06 0.00 3.84 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 149 L 7.68 3.93 0.00 2.01 1.57 0.80 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 150 V 7.76 3.79 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 1.11 0.00 0.00 1.10 0.00 0.00 151 Q 8.06 4.13 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 152 V 7.66 3.69 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 1.00 0.00 0.00 0.91 0.00 0.00 153 L 8.16 4.16 0.00 2.03 1.82 1.01 0.54 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 0.00 154 K 7.56 4.02 0.00 1.98 1.91 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.74 7.81 155 N 7.63 4.47 0.00 2.87 2.89 0.00 0.00 7.03 7.33 0.00 0.00 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 F 7.84 4.06 0.00 2.42 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 0.00 0.00 0.00 157 F 8.02 4.57 0.00 3.09 2.93 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 0.00 * Residues marked with a * may have inaccurate shift predictions.