NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.3944 8.1749 110.9484 61.1153 70.7745 174.4116 17 D 4.3659 8.0647 123.0303 56.1136 41.7779 175.0492 18 F 5.3080 9.0535 116.5220 55.5716 43.4970 174.0681 19 Q 4.7699 9.1141 119.3121 54.2659 32.5008 175.1316 20 T 4.5373 8.6584 120.0294 63.7712 69.5137 173.0570 21 Y 4.4733 9.2937 128.1825 55.8728 41.2848 174.0169 22 N 4.7373 8.1552 124.5541 51.8838 39.9477 174.5790 23 G 3.1893 7.8082 115.7026 43.6597 0.0000 171.3643 24 D 4.6140 8.2367 118.2551 54.7493 39.3840 176.6166 25 G 4.1161 9.8208 112.4880 44.5302 0.0000 170.0649 26 F 5.4772 7.3380 113.0246 55.3245 41.9993 173.3084 27 K 5.3329 9.1935 118.0482 55.8870 36.4134 174.7954 28 L 4.8667 8.8046 120.0279 55.2352 44.6106 173.5926 29 Q 4.9169 9.1815 119.7034 55.1213 30.2799 175.0230 30 I 4.7222 8.7750 125.3112 58.4556 40.3579 173.4332 31 P 3.8689 0.0000 0.0000 63.0172 31.2870 177.7602 32 S 4.1482 8.6035 120.9236 61.1143 62.9077 175.5701 33 K 4.3799 7.6752 117.2359 56.8814 32.5382 176.9474 34 W 4.8724 7.9924 119.1758 56.8217 29.8479 175.4122 35 N 5.3023 9.1492 120.1142 50.4876 41.4479 172.5851 36 P 3.9142 0.0000 0.0000 62.7294 32.3268 175.1136 37 N 4.8464 8.5700 120.3517 51.9082 40.7517 174.6183 38 K 4.1354 8.8950 125.5632 58.1918 32.7062 177.2977 39 E 3.9677 8.3887 120.0580 56.1274 29.6290 176.4446 40 V 4.1353 8.4282 126.6125 62.6778 32.2064 175.7224 41 E 4.3845 9.5674 122.8976 55.7726 32.0501 172.2218 42 Y 4.8946 7.6034 113.7201 55.4995 41.7608 172.8519 43 P 4.3566 0.0000 0.0000 64.2246 31.8042 176.8246 44 G 3.8996 9.0054 111.3048 44.6598 0.0000 172.6409 45 Q 4.3944 7.6791 121.0421 57.1287 29.1948 176.3992 46 V 4.5540 8.8200 117.4975 61.3158 34.1212 175.6256 47 L 4.8134 7.7828 121.7263 53.7920 45.9231 174.4738 48 R 5.2079 8.6117 125.1481 55.4528 33.4381 173.3730 49 F 5.4820 9.6122 125.1940 55.9156 42.9985 174.0078 50 E 4.3671 9.1374 118.5585 54.4275 33.5935 173.8060 51 D 4.2214 7.3098 121.5156 54.1419 41.5334 176.8916 52 N 4.0842 9.0311 124.5418 55.9386 39.0134 175.0662 53 F 4.5574 8.6341 114.7185 57.4451 40.1389 175.6404 54 D 4.3103 7.9181 119.8845 53.3238 41.9277 175.3841 55 A 4.0359 8.3818 129.9692 54.3836 18.6718 178.7496 56 T 3.8808 7.8355 112.0988 65.9371 68.8199 174.6093 57 S 4.8979 7.9834 118.7201 57.8539 63.5844 173.1995 58 N 4.9963 8.6614 121.6956 51.6893 41.1990 173.7125 59 V 5.2327 9.2762 119.1643 60.0073 34.8641 174.5558 60 I 5.1707 8.9339 117.0007 59.0941 41.2763 174.2452 61 V 4.6634 8.5147 122.7631 61.0117 34.5163 174.0697 62 A 5.2142 9.0526 128.8274 50.1585 22.2560 174.6797 63 I 4.8793 8.6499 123.0031 59.5853 39.9715 175.3035 64 T 4.7654 8.5325 116.0874 58.9805 72.5104 171.6659 65 P 4.8640 0.0000 0.0000 63.2564 32.0676 175.6813 66 T 4.8494 8.6535 117.2571 60.7628 70.3692 173.4896 67 D 4.5681 8.7908 125.0498 54.1253 40.3258 176.9362 68 K 4.1919 7.6497 119.6902 56.4206 32.5852 176.6694 69 K 4.4624 8.9435 119.2853 56.7379 34.2830 176.8084 70 S 4.5656 7.6766 111.6023 55.1473 65.8276 174.2146 71 I 3.6888 8.1091 124.8136 64.2036 37.5348 178.1770 72 T 4.2491 7.4327 111.2110 63.7783 68.2541 176.0230 73 D 4.3917 7.7987 121.2295 56.9803 40.8103 177.9757 74 F 4.3868 8.0417 117.0157 59.8995 39.5389 175.7389 75 G 4.1116 8.4419 103.9745 44.0717 0.0000 174.1015 76 S 4.4143 9.3188 118.2834 57.3588 65.2369 173.4033 77 P 4.0603 0.0000 0.0000 65.9922 30.9363 178.8305 78 E 3.9855 8.0197 116.6816 59.4637 29.2306 179.2437 79 Q 4.0530 7.9113 117.1942 58.6547 29.0268 178.1983 80 F 4.2834 8.7050 122.1716 61.3209 39.6129 176.9035 81 L 3.3108 7.9355 119.8300 58.1147 41.5709 179.0073 82 S 4.0570 7.6594 114.1001 61.5141 62.8205 176.1417 83 Q 4.2793 7.5937 118.8070 56.7010 29.2147 176.5573 84 V 3.9382 6.7889 114.2318 60.3426 32.4934 176.6943 85 D 4.3682 7.8610 119.1238 54.7254 39.5311 176.0863 86 Y 4.3933 7.4171 119.8328 60.0555 37.6796 177.9730 87 L 4.1692 7.3032 120.2700 56.8578 41.6691 178.1262 88 L 4.5377 7.3696 116.7769 55.7807 42.4589 175.7598 89 G 3.9436 8.1254 106.1248 44.8573 0.0000 175.0410 90 R 3.8250 8.6160 117.5822 59.0226 29.7124 173.6696 *108 V 3.9299 7.5138 117.0629 62.5254 32.0571 174.4624 109 A 4.5273 8.8031 129.3055 52.8329 20.4560 177.1525 110 I 4.5987 7.6317 115.5347 59.4985 41.1499 174.6744 111 A 4.9168 8.6645 127.7565 50.4560 21.5969 174.5706 112 N 4.8983 9.0046 120.3299 51.7893 41.5670 174.4964 113 V 4.0489 8.3808 124.4208 63.0071 31.6683 175.5260 114 L 4.3069 9.0797 129.4046 57.2789 41.9146 177.0988 115 E 4.9638 7.9939 116.4734 54.9488 34.3438 173.8656 116 T 5.2687 8.2901 110.4550 60.6084 72.6352 172.1963 117 S 4.8271 8.8617 115.6271 57.7796 66.4742 172.5850 118 T 5.7149 8.4691 111.4548 60.3783 71.9777 172.5735 119 A 4.9126 9.2446 122.9028 50.8366 23.5555 174.8436 120 E 5.2390 8.8367 118.0612 54.6851 32.5646 176.1313 121 V 4.2591 8.8470 124.4952 61.8461 34.0263 175.5524 122 G 3.9948 9.6127 116.5250 46.8891 0.0000 174.0578 123 G 3.9389 8.6006 104.5398 45.2916 0.0000 173.9393 124 K 4.6562 7.7544 118.4625 54.3242 35.3981 175.3134 125 Q 4.9233 8.4807 122.6645 55.3729 30.2112 174.7419 126 Y 4.6806 9.2082 120.6474 56.3764 41.6138 174.1479 127 Y 5.4335 8.5205 120.7887 56.6906 41.0467 174.4067 128 Y 5.2454 8.9206 119.5725 56.4050 42.3090 174.4983 129 L 5.4642 9.2933 122.8064 53.0204 46.6039 175.3473 130 S 5.2905 8.9921 117.1340 56.7470 65.7439 173.0924 131 I 5.0841 8.8958 123.2690 59.4284 41.5870 173.7612 132 L 5.0407 8.7955 128.1459 53.4203 44.3158 175.1236 133 T 5.1642 8.6136 116.2651 60.0221 72.0218 173.2978 134 R 4.9858 8.9315 121.9639 54.8056 34.5209 175.1136 135 T 4.7904 8.4040 112.7730 60.0524 70.6661 174.7270 136 A 4.1315 8.5496 123.7995 54.3937 19.5971 178.1595 137 D 4.1358 7.7794 115.6424 56.0264 40.8610 178.4633 *141 G 3.9594 8.6215 106.9991 45.4467 0.0000 173.3570 142 G 3.8389 9.2232 111.2673 45.8508 0.0000 172.2292 143 K 4.8528 8.9106 121.0741 54.6682 35.0071 175.0999 144 H 4.7453 9.0763 122.7003 54.2883 30.2267 173.8507 145 Q 5.1996 8.9383 123.0477 53.8252 32.5476 174.6256 146 L 5.2163 9.1196 124.1720 53.3450 45.5481 175.0425 147 V 4.8797 8.9647 126.3403 61.4260 34.2056 174.2260 148 T 5.1126 8.9938 124.0312 61.8245 71.7643 172.9566 149 A 5.1603 8.7352 126.0781 51.0993 23.1599 174.7856 150 T 4.4360 8.6391 113.5457 60.9226 71.5640 172.3289 151 V 5.0397 7.7541 124.1805 61.2335 34.2974 174.2461 152 N 4.7515 9.7356 123.7156 54.0151 42.2831 173.6674 153 D 4.4417 9.8236 122.8070 55.6474 38.7265 174.5588 154 G 3.9754 8.3978 102.7724 45.7535 0.0000 173.1722 155 K 4.9620 7.9996 118.0865 54.1223 36.5750 174.9677 156 L 4.7964 9.0400 126.5492 54.1991 43.8781 174.5594 157 Y 5.1255 9.2450 124.8100 56.4235 40.3851 174.7281 158 I 4.8873 8.7568 125.3156 59.4343 40.8464 173.9611 159 C 4.8076 8.6237 127.4774 57.1417 34.0753 172.3256 160 K 5.0685 8.8671 126.6214 54.5962 34.9366 174.5879 161 A 5.5999 8.9114 128.8918 50.5764 22.5332 174.7827 162 Q 5.2224 9.1902 116.3038 55.4823 32.6626 173.1956 163 A 5.0961 8.8770 120.9360 50.6315 23.3637 176.6053 164 G 4.1416 8.7747 109.3936 44.5627 0.0000 174.3840 165 D 4.6443 8.5237 119.1035 57.4725 40.8201 179.8947 166 K 4.3092 8.2171 115.6900 58.8206 32.8119 177.5021 167 R 4.9942 8.4153 118.0224 55.7981 30.7095 176.1651 168 W 4.6687 8.2786 130.6807 55.0364 29.8729 174.5143 169 F 4.8083 7.0241 116.6540 53.9865 40.5814 174.4198 170 K 3.7493 8.6556 122.7298 58.6298 31.9704 176.3904 171 G 4.0061 8.9454 114.3655 45.2417 0.0000 174.0659 172 A 4.6102 7.5358 119.6060 51.9790 20.1936 178.3885 173 K 3.5504 7.4429 117.0617 58.8770 31.9537 179.0097 174 K 3.7777 7.7087 118.7179 59.9628 31.9831 178.7778 175 F 4.4489 7.6609 117.6489 59.3135 39.0492 177.0468 176 V 4.2883 7.8707 117.5910 65.2880 32.0815 177.5724 177 E 4.0390 8.4973 118.5071 59.4673 29.4585 178.8316 178 N 4.1060 8.0567 117.0155 56.9147 38.7109 176.5128 179 T 4.3774 8.2767 116.4517 66.3209 68.9494 175.7534 180 A 4.2488 8.3003 122.2919 55.4437 18.3438 179.6850 181 T 4.2480 7.9918 106.9480 64.2039 69.0519 176.4673 182 S 4.3166 8.0003 116.1422 59.0264 63.3836 174.0475 183 F 4.5644 7.6094 125.8213 58.8198 39.5994 174.2769 184 S 4.5999 8.5267 119.9098 56.1683 66.1982 173.1541 185 L 4.2951 8.7310 124.9372 54.3524 42.3107 177.1951 186 A 4.1514 8.2764 122.7370 52.3692 17.9035 177.5298 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 16 T 8.17 4.39 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 17 D 8.06 4.37 0.00 2.86 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 18 F 9.05 5.31 0.00 2.81 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 19 Q 9.11 4.77 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 20 T 8.66 4.54 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 21 Y 9.29 4.47 0.00 2.87 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 22 N 8.16 4.74 0.00 2.36 2.56 0.00 0.00 7.03 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 23 G 7.81 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 0.00 0.00 0.00 24 D 8.24 4.61 0.00 2.74 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 25 G 9.82 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 0.00 0.00 0.00 26 F 7.34 5.48 0.00 2.86 3.03 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 27 K 9.19 5.33 0.00 1.81 1.81 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.33 7.81 28 L 8.80 4.87 0.00 1.95 2.16 1.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 9.18 4.92 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 30 I 8.78 4.72 1.68 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.71 0.67 0.00 0.00 31 P 0.00 3.87 0.00 0.49 0.84 0.00 2.93 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.64 0.00 32 S 8.60 4.15 0.00 3.78 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 0.00 33 K 7.68 4.38 0.00 1.83 1.98 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.41 7.81 34 W 7.99 4.87 0.00 3.46 3.42 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 35 N 9.15 5.30 0.00 2.52 2.60 0.00 0.00 6.91 7.88 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 36 P 0.00 3.91 0.00 1.76 1.26 0.00 3.57 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 37 N 8.57 4.85 0.00 2.57 2.62 0.00 0.00 7.20 6.66 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 38 K 8.90 4.14 0.00 2.01 1.83 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.03 7.81 39 E 8.39 3.97 0.00 2.00 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 2.31 2.33 0.00 40 V 8.43 4.14 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 0.77 0.00 0.00 0.94 0.00 0.00 41 E 9.57 4.38 0.00 1.94 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 2.15 2.11 0.00 42 Y 7.60 4.89 0.00 2.98 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 43 P 0.00 4.36 0.00 1.89 1.83 0.00 3.76 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.17 0.00 44 G 9.01 3.90 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 0.00 0.00 0.00 45 Q 7.68 4.39 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 46 V 8.82 4.55 2.30 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 0.86 0.00 0.00 1.15 0.00 0.00 47 L 7.78 4.81 0.00 1.91 1.58 0.44 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.61 5.21 0.00 1.96 1.93 0.00 3.22 0.00 0.00 3.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 49 F 9.61 5.48 0.00 3.21 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 50 E 9.14 4.37 0.00 1.76 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 2.21 2.05 0.00 51 D 7.31 4.22 0.00 2.21 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 52 N 9.03 4.08 0.00 2.47 2.19 0.00 0.00 7.08 7.02 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 53 F 8.63 4.56 0.00 3.09 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 54 D 7.92 4.31 0.00 2.78 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 55 A 8.38 4.04 1.26 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 0.00 0.00 56 T 7.84 3.88 4.38 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 1.26 0.00 0.00 57 S 7.98 4.90 0.00 3.72 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.66 5.00 0.00 2.93 2.80 0.00 0.00 6.13 7.67 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 59 V 9.28 5.23 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 1.08 0.00 0.00 1.08 0.00 0.00 60 I 8.93 5.17 1.92 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.63 1.10 0.00 0.00 61 V 8.51 4.66 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 0.31 0.00 0.00 0.76 0.00 0.00 62 A 9.05 5.21 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 63 I 8.65 4.88 1.82 0.00 0.00 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 1.06 0.68 0.49 0.00 0.00 64 T 8.53 4.77 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 1.22 0.00 0.00 65 P 0.00 4.86 0.00 1.96 2.02 0.00 3.65 0.00 0.00 3.57 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 66 T 8.65 4.85 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 1.24 0.00 0.00 67 D 8.79 4.57 0.00 2.79 2.75 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 68 K 7.65 4.19 0.00 1.67 1.74 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.20 1.14 7.81 69 K 8.94 4.46 0.00 1.65 1.80 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.45 7.81 70 S 7.68 4.57 0.00 3.71 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 71 I 8.11 3.69 1.40 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.09 -0.01 0.00 0.00 72 T 7.43 4.25 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 1.22 0.00 0.00 73 D 7.80 4.39 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.04 4.39 0.00 3.40 3.33 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 75 G 8.44 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 76 S 9.32 4.41 0.00 4.10 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 77 P 0.00 4.06 0.00 1.95 1.81 0.00 3.32 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.44 0.00 78 E 8.02 3.99 0.00 2.04 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 2.38 2.43 0.00 79 Q 7.91 4.05 0.00 2.42 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 80 F 8.71 4.28 0.00 3.15 3.34 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 0.00 81 L 7.94 3.31 0.00 1.70 1.68 0.68 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.66 4.06 0.00 4.07 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 83 Q 7.59 4.28 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.42 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 84 V 6.79 3.94 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 0.58 0.00 0.00 -0.12 0.00 0.00 85 D 7.86 4.37 0.00 2.84 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 86 Y 7.42 4.39 0.00 3.26 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 87 L 7.30 4.17 0.00 1.39 1.58 0.63 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.37 4.54 0.00 1.67 1.66 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.13 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.62 3.82 0.00 1.84 1.86 0.00 3.30 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 *108 V 7.51 3.93 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 1.00 0.00 0.00 1.00 0.00 0.00 109 A 8.80 4.53 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 0.00 110 I 7.63 4.60 1.85 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 0.82 0.88 0.00 0.00 111 A 8.66 4.92 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 0.00 112 N 9.00 4.90 0.00 2.58 2.69 0.00 0.00 6.28 8.54 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 0.00 113 V 8.38 4.05 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 0.76 0.00 0.00 0.90 0.00 0.00 114 L 9.08 4.31 0.00 1.56 1.72 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.99 4.96 0.00 1.93 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 2.31 2.37 0.00 116 T 8.29 5.27 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 1.18 0.00 0.00 117 S 8.86 4.83 0.00 3.91 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 0.00 118 T 8.47 5.71 4.62 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 1.26 0.00 0.00 119 A 9.24 4.91 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.84 5.24 0.00 1.88 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 2.26 2.34 0.00 121 V 8.85 4.26 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 0.91 0.00 0.00 0.75 0.00 0.00 122 G 9.61 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 0.00 123 G 8.60 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 K 7.75 4.66 0.00 1.89 1.46 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.52 1.46 7.81 125 Q 8.48 4.92 0.00 1.78 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 126 Y 9.21 4.68 0.00 2.90 2.39 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 0.00 127 Y 8.52 5.43 0.00 2.53 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 0.00 128 Y 8.92 5.25 0.00 2.97 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 0.00 129 L 9.29 5.46 0.00 1.60 1.50 1.11 0.98 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 0.00 130 S 8.99 5.29 0.00 3.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.90 5.08 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 1.06 0.73 0.92 0.00 0.00 132 L 8.80 5.04 0.00 1.60 1.41 0.56 0.74 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 0.00 133 T 8.61 5.16 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 1.18 0.00 0.00 134 R 8.93 4.99 0.00 1.68 1.77 0.00 3.09 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 135 T 8.40 4.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 136 A 8.55 4.13 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 0.00 137 D 7.78 4.14 0.00 2.57 2.44 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 *141 G 8.62 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 0.00 0.00 0.00 142 G 9.22 3.84 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 0.00 0.00 0.00 143 K 8.91 4.85 0.00 1.58 1.64 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.36 7.81 144 H 9.08 4.75 0.00 2.03 1.62 0.00 5.75 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Q 8.94 5.20 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 146 L 9.12 5.22 0.00 1.73 1.55 1.03 0.91 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 0.00 147 V 8.96 4.88 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 1.06 0.00 0.00 0.86 0.00 0.00 148 T 8.99 5.11 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 1.36 0.00 0.00 149 A 8.74 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.64 4.44 3.31 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 0.98 0.00 0.00 151 V 7.75 5.04 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 0.91 0.00 0.00 1.01 0.00 0.00 152 N 9.74 4.75 0.00 2.73 2.64 0.00 0.00 7.04 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 0.00 153 D 9.82 4.44 0.00 2.94 2.77 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 0.00 154 G 8.40 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 0.00 155 K 8.00 4.96 0.00 1.74 1.17 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.25 1.33 7.81 156 L 9.04 4.80 0.00 1.88 1.62 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 9.24 5.13 0.00 3.22 3.20 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 0.00 158 I 8.76 4.89 1.81 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 1.26 0.76 0.79 0.00 0.00 159 C 8.62 4.81 0.00 1.23 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 0.00 0.00 0.00 160 K 8.87 5.07 0.00 1.62 1.34 0.00 1.53 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.24 1.42 7.81 161 A 8.91 5.60 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 0.00 162 Q 9.19 5.22 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 163 A 8.88 5.10 1.52 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 0.00 0.00 164 G 8.77 4.14 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 0.00 165 D 8.52 4.64 0.00 2.82 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 0.00 166 K 8.22 4.31 0.00 1.95 2.03 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.58 7.81 167 R 8.42 4.99 0.00 1.99 2.13 0.00 3.40 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 168 W 8.28 4.67 0.00 3.35 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 F 7.02 4.81 0.00 3.22 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 0.00 170 K 8.66 3.75 0.00 1.98 1.85 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.03 7.81 171 G 8.95 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 A 7.54 4.61 0.51 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 0.00 0.00 0.00 0.00 0.00 0.00 173 K 7.44 3.55 0.00 1.30 1.11 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.83 7.81 174 K 7.71 3.78 0.00 1.82 1.86 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.44 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.83 0.50 7.81 175 F 7.66 4.45 0.00 3.31 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.87 4.29 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 1.35 0.00 0.00 1.34 0.00 0.00 177 E 8.50 4.04 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 178 N 8.06 4.11 0.00 2.52 2.40 0.00 0.00 7.27 6.82 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 0.00 179 T 8.28 4.38 4.55 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 1.39 0.00 0.00 180 A 8.30 4.25 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 0.00 181 T 7.99 4.25 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 1.21 0.00 0.00 182 S 8.00 4.32 0.00 4.00 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 0.00 183 F 7.61 4.56 0.00 3.15 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 0.00 184 S 8.53 4.60 0.00 3.68 3.47 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 0.00 185 L 8.73 4.30 0.00 1.50 1.43 0.71 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 186 A 8.28 4.15 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 * Residues marked with a * may have inaccurate shift predictions.