NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4382 8.3349 115.4142 58.3612 64.3430 172.5490 8 T 4.4237 8.2416 117.7259 60.1001 70.3890 173.0480 9 I 4.1641 8.5958 120.0416 62.5977 39.6514 175.1020 10 Y 4.8645 7.5289 119.5403 56.4366 41.4429 173.0773 11 Q 4.2296 7.5643 122.8582 54.9963 31.8675 173.5484 12 T 4.4606 7.6244 111.4688 60.9918 70.4913 172.6588 13 S 4.9563 8.3448 119.7984 56.8203 67.0987 172.8695 14 A 5.1332 8.4099 122.2179 50.8645 22.7431 175.5370 15 T 4.7426 8.9159 115.2805 61.7128 72.4992 173.4282 16 A 4.9108 8.6155 127.2640 50.6858 22.0691 175.7934 17 S 4.6420 8.7314 114.6614 57.9814 65.2274 174.5077 18 A 4.6943 7.7323 123.3489 51.2602 20.3178 177.1490 19 G 3.7067 7.8245 109.8747 48.8533 0.0000 176.2857 20 R 4.1717 8.4691 122.4277 57.0382 30.4044 176.3211 21 N 4.9443 8.2519 115.0898 48.8769 38.5433 173.8433 22 G 3.9059 7.7024 107.2258 46.4767 0.0000 169.6314 23 V 4.8180 8.1253 112.9707 60.8529 33.0754 176.4259 24 V 4.8891 8.6646 121.5055 60.5985 35.0897 174.0248 25 S 5.2248 8.6693 115.9422 57.1427 66.8447 173.6022 26 T 4.5066 8.8408 112.1501 61.3767 69.6105 175.1401 27 E 3.9073 8.9159 124.7915 59.4231 29.6454 177.7300 28 D 4.5217 8.0386 114.5925 53.0028 39.9807 176.6232 29 K 3.9475 8.0830 118.0186 57.2594 30.2708 176.6716 30 L 4.1078 8.2526 121.0969 56.8530 41.7900 177.3164 31 L 4.8208 8.0138 118.4199 52.8174 44.6221 175.8613 32 E 5.0263 8.8392 122.7970 54.6883 32.7740 175.0654 33 L 4.9208 9.0996 124.1848 52.9658 46.4723 175.4589 34 N 5.0553 8.6503 118.4901 52.3116 40.8666 174.0382 35 L 5.2897 8.7482 122.2199 53.1624 45.2752 175.6906 36 S 5.0854 8.6558 115.7173 56.6823 66.8082 173.3862 37 Y 4.6266 8.7327 119.1583 57.7738 38.8847 174.6731 38 P 4.8202 0.0000 0.0000 62.4181 32.6112 177.0706 39 K 4.3797 8.6785 119.2262 58.5620 32.5442 179.7321 40 E 4.0208 8.0815 117.8544 56.5152 28.4505 177.7075 *42 G 3.7658 8.2089 105.5954 44.9712 0.0000 173.5543 43 G 4.5556 8.1916 109.9712 42.7915 0.0000 175.0366 44 S 4.0783 8.6322 112.9805 59.2257 63.2383 175.2964 45 G 3.9250 8.2052 107.5520 46.4918 0.0000 173.9295 46 T 4.2940 7.6248 107.7198 61.3474 69.4045 173.6524 47 A 4.7684 7.3898 122.5220 50.6439 23.2150 175.2837 48 T 4.5942 7.9101 113.4898 62.2707 70.1387 172.5091 49 N 5.0339 8.2708 116.9835 50.5073 40.2104 173.9579 50 P 4.3849 0.0000 0.0000 65.4103 31.1882 178.9684 51 E 4.1221 8.2665 117.5119 59.4697 29.4230 179.0307 52 Q 4.0532 8.8129 118.4482 58.9234 28.7697 178.7886 53 L 4.0499 8.1097 120.0980 57.7810 41.5810 179.4088 54 F 4.4007 8.5442 120.4271 61.2237 39.3069 177.0319 55 A 3.9844 8.4599 120.7150 55.1811 18.1957 179.8128 56 V 3.6013 8.1863 117.0780 66.0730 31.5528 178.5407 57 G 3.6881 8.1397 106.8245 47.4371 0.0000 175.1325 58 Y 3.3157 7.9938 122.2428 59.7945 38.6734 177.3893 59 A 3.9577 8.1295 121.7618 55.2610 18.4507 179.5273 60 A 3.8697 7.8630 119.0886 55.5227 18.5006 179.4935 61 C 3.9879 8.1218 117.4449 62.1983 31.5368 175.5237 62 F 4.2418 8.7157 122.9704 60.9615 39.0740 177.0576 63 S 4.0196 8.3048 113.0348 61.6432 62.0293 175.8681 64 N 4.2644 8.3858 119.3693 56.4237 38.5899 176.5967 65 A 3.9040 7.8385 122.2341 55.1671 18.3368 179.5415 66 I 3.4524 7.3257 118.0624 64.6100 37.1688 178.6106 67 L 3.9240 7.8120 119.6043 57.9526 41.4031 179.2217 68 H 4.0442 8.5523 118.5076 59.3441 29.8992 177.5843 69 V 3.5975 8.1426 120.2200 65.7680 31.2357 177.8421 70 A 3.9180 8.2435 120.8674 55.0909 18.2730 179.4637 71 R 3.7887 8.0501 117.2769 59.8270 29.9429 178.6665 72 E 4.0065 8.1016 116.5677 58.6883 29.4647 178.1518 73 A 4.3484 7.6121 118.4712 50.9393 19.1159 176.9424 74 K 3.7236 7.7771 115.9860 57.6166 30.1592 175.6409 75 V 4.0774 7.9561 118.5989 60.8945 32.5299 174.8007 76 A 4.2849 8.5435 130.9753 51.4816 18.5120 176.0866 77 L 4.8032 8.2201 122.4810 53.3362 44.3241 177.2811 78 K 4.1942 8.5899 121.9316 58.5403 32.6589 176.5813 79 E 4.7039 7.6064 112.9474 55.8576 31.5411 175.6474 80 A 4.8124 8.0601 121.0469 49.8237 19.8142 172.4996 81 P 4.3527 0.0000 0.0000 62.2721 32.9016 175.3671 82 V 4.9621 8.4159 123.9433 61.3860 34.4662 174.4235 83 T 4.5784 8.9752 124.5290 61.8683 70.5856 173.0169 84 A 4.8951 8.5360 128.7651 50.6852 20.8046 175.9410 85 T 4.5135 8.9638 120.0150 61.7430 71.0885 173.4527 86 V 4.9057 8.6305 126.6489 61.0227 33.7690 174.7867 87 G 4.3951 9.1446 114.2503 44.3740 0.0000 171.2826 88 I 5.1728 8.1779 119.9443 59.3038 41.1849 174.3460 89 G 4.4089 8.6934 113.9410 44.5739 0.0000 170.5999 90 P 4.5454 0.0000 0.0000 62.8282 31.6141 176.0968 91 N 4.5522 8.4761 117.3081 52.3090 37.7432 176.1642 92 G 3.9187 8.0871 106.6279 46.1830 0.0000 173.8914 93 Q 4.4485 8.4603 118.1888 55.5345 29.4406 176.7208 94 G 3.9086 8.6633 104.8817 45.4976 0.0000 174.5050 95 G 3.9369 7.4192 109.0823 44.2451 0.0000 171.3619 96 F 5.3985 8.6283 118.0526 55.7883 43.5168 174.2521 97 A 4.8545 9.0746 121.6705 50.3001 22.6338 175.1630 98 L 5.1173 8.5448 119.8841 53.6310 43.5750 176.2112 99 S 4.9583 8.9862 117.2744 56.7363 66.0761 173.1992 100 V 4.9955 8.2735 120.5549 61.3302 35.1009 173.4052 101 A 5.0909 9.1266 129.4267 50.0112 22.1033 174.8161 102 L 4.7666 8.7010 121.8068 52.8413 44.5518 175.6714 103 A 4.7458 9.0077 127.5660 50.4005 20.2813 175.1868 104 A 5.0584 8.8049 123.9121 51.8659 21.7927 175.6219 105 H 5.2917 8.6727 116.2866 54.3601 32.6142 173.2980 106 I 4.5978 9.1427 123.5644 58.8309 40.5734 176.5163 107 A 4.3605 8.2631 131.2718 50.8476 17.1426 175.1967 108 L 4.8143 7.0539 120.9757 51.2771 46.8664 177.2222 109 E 4.1717 8.4552 118.7285 56.3522 31.1828 177.9938 110 D 4.3503 8.6217 121.6806 57.7210 40.9154 179.0129 111 E 3.9008 8.0745 119.1184 59.2370 29.8028 178.2357 112 Q 3.9190 8.1258 118.9430 59.2073 29.0273 178.0568 113 A 3.9997 8.2336 121.8043 55.3105 18.3879 179.7839 114 R 3.8775 8.3036 116.8213 59.5039 30.1730 179.3572 115 Q 4.0035 8.3395 117.9413 58.9058 28.6377 178.8285 116 L 3.9596 7.9861 119.9570 57.8761 41.6656 179.7861 117 V 3.5817 8.0286 118.2883 66.1945 31.1997 178.1997 118 T 3.9526 7.9354 114.8160 66.6971 68.6311 176.5176 119 V 3.7508 7.8458 119.8293 65.8869 31.5766 177.7570 120 A 3.9574 8.3369 120.9697 55.5049 17.9520 178.7107 121 H 4.8585 8.5281 114.6289 58.4358 30.0758 176.5577 122 Q 4.3070 8.0522 118.5412 58.1051 29.0376 177.4460 123 V 3.9252 7.5890 118.0883 64.1112 32.3643 176.0827 124 C 4.3269 7.9835 120.1861 58.4533 32.1413 172.5081 125 P 4.3157 0.0000 0.0000 66.1010 30.4054 178.3857 126 Y 3.7707 8.1400 116.2465 60.9932 37.6428 178.2984 127 S 4.5075 8.1387 116.9224 61.2718 62.8114 176.3483 128 N 4.3663 8.3308 118.1303 56.2693 38.3255 177.0308 129 A 4.1171 7.9788 121.4095 54.2454 18.8024 179.0138 130 V 4.2310 7.3981 107.9208 59.8966 32.7237 175.9062 131 R 4.1209 7.1881 120.0857 57.9761 30.2371 176.3368 132 G 4.0997 9.0841 113.4529 45.5128 0.0000 173.8270 133 N 4.6333 8.0969 115.4813 54.7066 39.5926 175.2140 134 I 4.3220 7.4943 117.3285 59.7037 38.5098 175.8493 135 D 4.5794 8.4399 125.7142 52.8563 39.6768 174.1833 136 V 3.9258 8.0153 123.9232 62.6181 32.5884 174.8372 137 Q 4.3590 9.0006 127.9478 54.9839 29.8728 174.6444 138 V 4.6007 8.1882 124.8039 61.2294 33.7135 174.6490 139 S 5.2352 8.9726 123.4931 56.6962 66.8962 173.2754 140 V 4.5513 8.5296 122.1180 61.5351 34.3415 175.2683 141 N 4.2237 10.0057 126.2122 54.2873 36.5480 175.6397 142 G 3.9623 8.6525 106.0007 45.0996 0.0000 173.7282 143 L 4.7103 7.4914 118.7717 52.0430 44.6500 175.6798 144 A 4.2803 8.2416 122.8533 51.8174 18.9373 177.5891 145 L 4.1101 8.3565 122.3791 55.6380 42.0322 176.9672 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 7 S 8.33 4.44 0.00 4.00 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 8 T 8.24 4.42 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 9 I 8.60 4.16 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.94 0.00 0.00 10 Y 7.53 4.86 0.00 2.86 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 11 Q 7.56 4.23 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 12 T 7.62 4.46 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 1.20 0.00 0.00 13 S 8.34 4.96 0.00 3.87 3.66 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 14 A 8.41 5.13 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 15 T 8.92 4.74 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 16 A 8.62 4.91 1.17 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 17 S 8.73 4.64 0.00 3.80 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 18 A 7.73 4.69 1.27 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 0.00 0.00 19 G 7.82 3.71 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 0.00 0.00 0.00 20 R 8.47 4.17 0.00 1.52 1.76 0.00 3.20 0.00 0.00 3.36 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 21 N 8.25 4.94 0.00 2.36 2.54 0.00 0.00 6.77 7.24 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 22 G 7.70 3.91 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 0.00 0.00 0.00 23 V 8.13 4.82 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 0.73 0.00 0.00 0.92 0.00 0.00 24 V 8.66 4.89 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 0.90 0.00 0.00 0.97 0.00 0.00 25 S 8.67 5.22 0.00 3.91 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 26 T 8.84 4.51 4.27 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 1.25 0.00 0.00 27 E 8.92 3.91 0.00 1.93 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 2.33 2.26 0.00 28 D 8.04 4.52 0.00 2.83 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 29 K 8.08 3.95 0.00 1.96 1.98 0.00 1.90 0.00 0.00 1.86 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.54 7.81 30 L 8.25 4.11 0.00 1.81 1.76 1.00 0.93 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 31 L 8.01 4.82 0.00 1.62 1.56 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.84 5.03 0.00 1.79 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 2.20 2.47 0.00 33 L 9.10 4.92 0.00 1.53 1.50 0.94 0.49 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 34 N 8.65 5.06 0.00 2.67 2.71 0.00 0.00 6.73 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.75 5.29 0.00 1.58 1.55 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.66 5.09 0.00 3.83 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 37 Y 8.73 4.63 0.00 2.92 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 38 P 0.00 4.82 0.00 2.32 2.22 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 39 K 8.68 4.38 0.00 1.67 1.93 0.00 1.81 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.34 7.81 40 E 8.08 4.02 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 *42 G 8.21 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 43 G 8.19 4.56 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 0.00 0.00 0.00 44 S 8.63 4.08 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 45 G 8.21 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.62 4.29 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 47 A 7.39 4.77 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 48 T 7.91 4.59 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 49 N 8.27 5.03 0.00 2.88 3.06 0.00 0.00 5.99 7.76 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 50 P 0.00 4.38 0.00 2.18 2.15 0.00 3.61 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 2.10 2.17 0.00 51 E 8.27 4.12 0.00 2.26 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 2.43 2.50 0.00 52 Q 8.81 4.05 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 53 L 8.11 4.05 0.00 1.94 1.82 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.54 4.40 0.00 3.28 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 55 A 8.46 3.98 1.49 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 0.00 0.00 56 V 8.19 3.60 2.17 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 1.01 0.00 0.00 1.00 0.00 0.00 57 G 8.14 3.69 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 0.00 0.00 0.00 58 Y 7.99 3.32 0.00 2.53 2.55 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 59 A 8.13 3.96 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 0.00 0.00 0.00 0.00 0.00 60 A 7.86 3.87 1.27 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 0.00 0.00 61 C 8.12 3.99 0.00 2.62 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 62 F 8.72 4.24 0.00 3.27 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 63 S 8.30 4.02 0.00 3.97 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 64 N 8.39 4.26 0.00 2.88 2.87 0.00 0.00 7.12 8.20 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 65 A 7.84 3.90 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 66 I 7.33 3.45 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.15 0.83 0.00 0.00 67 L 7.81 3.92 0.00 1.82 1.69 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.55 4.04 0.00 3.27 3.47 0.00 5.78 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 69 V 8.14 3.60 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 0.94 0.00 0.00 0.99 0.00 0.00 70 A 8.24 3.92 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 0.00 0.00 0.00 0.00 0.00 71 R 8.05 3.79 0.00 1.92 2.02 0.00 3.06 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 72 E 8.10 4.01 0.00 1.94 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 2.25 2.32 0.00 73 A 7.61 4.35 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 K 7.78 3.72 0.00 1.93 1.90 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.49 7.81 75 V 7.96 4.08 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 0.75 0.00 0.00 0.95 0.00 0.00 76 A 8.54 4.28 1.24 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 77 L 8.22 4.80 0.00 1.59 1.54 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.59 4.19 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 79 E 7.61 4.70 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 2.11 2.23 0.00 80 A 8.06 4.81 1.17 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 81 P 0.00 4.35 0.00 2.06 1.97 0.00 3.77 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 2.09 2.07 0.00 82 V 8.42 4.96 2.26 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 0.87 0.00 0.00 1.11 0.00 0.00 83 T 8.98 4.58 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 84 A 8.54 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.96 4.51 4.22 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 1.22 0.00 0.00 86 V 8.63 4.91 2.22 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 1.01 0.00 0.00 1.19 0.00 0.00 87 G 9.14 4.40 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 0.00 0.00 0.00 88 I 8.18 5.17 1.87 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 1.32 1.06 0.89 0.00 0.00 89 G 8.69 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.55 0.00 2.07 1.92 0.00 3.80 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 91 N 8.48 4.55 0.00 2.80 2.92 0.00 0.00 6.98 6.62 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 92 G 8.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.46 4.45 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 94 G 8.66 3.91 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 0.00 0.00 0.00 95 G 7.42 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 96 F 8.63 5.40 0.00 2.88 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 97 A 9.07 4.85 1.21 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 0.00 0.00 0.00 98 L 8.54 5.12 0.00 1.51 1.63 0.52 0.88 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 99 S 8.99 4.96 0.00 3.88 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 0.00 100 V 8.27 5.00 2.22 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 1.00 0.00 0.00 1.29 0.00 0.00 101 A 9.13 5.09 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 0.00 102 L 8.70 4.77 0.00 1.08 1.08 -0.57 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.01 4.75 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 0.00 104 A 8.80 5.06 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 0.00 105 H 8.67 5.29 0.00 3.07 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.14 4.60 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.90 0.00 0.00 107 A 8.26 4.36 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 0.00 108 L 7.05 4.81 0.00 1.58 1.53 0.91 1.00 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 0.00 109 E 8.46 4.17 0.00 2.01 1.87 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 2.40 2.40 0.00 110 D 8.62 4.35 0.00 2.68 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 0.00 111 E 8.07 3.90 0.00 2.08 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 2.38 2.43 0.00 112 Q 8.13 3.92 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 113 A 8.23 4.00 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 0.00 0.00 0.00 0.00 0.00 114 R 8.30 3.88 0.00 2.01 2.01 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 115 Q 8.34 4.00 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 116 L 7.99 3.96 0.00 1.83 1.68 0.90 0.57 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 0.00 117 V 8.03 3.58 2.13 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 1.24 0.00 0.00 0.97 0.00 0.00 118 T 7.94 3.95 4.43 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 1.26 0.00 0.00 119 V 7.85 3.75 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.01 0.00 0.00 120 A 8.34 3.96 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 0.00 121 H 8.53 4.86 0.00 3.56 3.67 0.00 5.94 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 0.00 122 Q 8.05 4.31 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 123 V 7.59 3.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 124 C 7.98 4.33 0.00 3.31 3.11 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 0.00 125 P 0.00 4.32 0.00 2.38 2.35 0.00 3.84 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 2.24 2.13 0.00 126 Y 8.14 3.77 0.00 2.58 1.71 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 0.00 127 S 8.14 4.51 0.00 4.22 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 8.33 4.37 0.00 2.85 2.90 0.00 0.00 7.03 7.28 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 0.00 129 A 7.98 4.12 1.29 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 0.00 0.00 130 V 7.40 4.23 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 1.02 0.00 0.00 1.15 0.00 0.00 131 R 7.19 4.12 0.00 1.90 1.87 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 132 G 9.08 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 0.00 133 N 8.10 4.63 0.00 2.87 2.87 0.00 0.00 6.91 6.73 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 0.00 134 I 7.49 4.32 1.98 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 1.44 0.57 1.00 0.00 0.00 135 D 8.44 4.58 0.00 2.63 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 0.00 136 V 8.02 3.93 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 0.65 0.00 0.00 1.12 0.00 0.00 137 Q 9.00 4.36 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 138 V 8.19 4.60 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 0.91 0.00 0.00 0.66 0.00 0.00 139 S 8.97 5.24 0.00 3.70 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 0.00 140 V 8.53 4.55 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 0.96 0.00 0.00 0.94 0.00 0.00 141 N 10.01 4.22 0.00 2.88 2.88 0.00 0.00 7.28 7.91 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 0.00 142 G 8.65 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 0.00 143 L 7.49 4.71 0.00 1.70 1.55 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 144 A 8.24 4.28 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 0.00 145 L 8.36 4.11 0.00 1.67 1.64 0.98 0.80 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 * Residues marked with a * may have inaccurate shift predictions.