NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3265 8.3031 122.1421 54.3143 34.1198 176.3171 4 G 3.6662 8.0685 104.4132 46.9452 0.0000 172.0439 5 I 4.1332 8.2532 122.7511 59.4131 39.3397 172.3813 6 P 4.2710 0.0000 0.0000 63.2266 31.6527 178.2575 7 K 4.0512 8.7514 124.6894 57.4053 31.7557 175.4027 8 I 3.8983 7.5856 109.5726 62.9036 37.9283 175.9884 9 I 3.9460 7.3901 123.0602 59.9659 37.1299 174.7285 10 P 4.5429 0.0000 0.0000 61.7582 33.4610 175.2791 11 P 4.2396 0.0000 0.0000 65.8501 31.2391 178.4736 12 E 3.9465 8.1859 117.5706 59.3252 29.4990 178.5570 13 L 4.0346 7.8712 119.8422 57.7308 42.2369 178.4799 14 L 3.9595 7.9380 120.5959 57.8472 42.0344 178.7077 15 K 3.8989 8.0808 119.6210 59.5583 31.8994 178.7348 16 V 3.9531 7.6547 116.9296 66.3190 31.5714 177.6651 17 L 4.3016 8.1518 117.5807 58.0814 41.4968 179.0844 18 C 4.3901 8.0812 116.2398 61.7027 29.4684 175.1524 19 E 4.2640 7.9760 120.5935 55.2943 27.1554 175.3624 *21 G 3.5413 7.7304 114.1121 45.8272 0.0000 168.5025 22 H 4.3335 8.4287 118.8907 58.1109 29.7414 175.3935 23 G 3.9403 8.9217 116.6547 45.1767 0.0000 173.3810 24 D 4.5740 7.8829 119.6118 54.6656 42.0628 175.5990 25 Q 5.4489 8.7592 119.7804 54.0868 32.5757 174.3946 26 L 5.2897 8.7970 121.5078 53.9652 44.7319 175.1243 27 V 4.6203 8.4318 119.6269 61.1727 34.2612 174.4442 28 I 4.4468 8.9935 129.4589 60.3617 38.2699 174.5030 29 A 4.5031 8.7858 130.9039 50.1695 20.7744 176.5875 30 D 4.7351 8.5908 122.3622 52.6222 40.8915 177.6679 31 G 3.7028 8.9637 108.2433 48.3597 0.0000 174.4863 32 N 4.6181 7.9006 115.2718 53.6851 39.1367 175.3753 33 F 4.4214 7.9918 121.5089 57.3029 40.5116 174.1727 34 P 4.4585 0.0000 0.0000 61.7631 29.8456 176.5289 35 A 4.3987 8.0625 128.8302 56.1229 19.2778 180.2486 36 E 4.0501 8.2082 114.6485 59.2896 29.9801 179.2690 37 S 4.2323 7.8613 113.8534 61.6274 63.2122 176.3547 38 I 3.8544 7.5936 122.7261 63.3551 36.9685 177.0034 39 G 4.0599 8.2003 109.8553 45.9725 0.0000 176.1752 40 K 3.8636 7.8311 123.6962 57.0032 31.6297 181.1229 41 N 4.8389 8.1028 113.3082 52.6956 38.7034 173.4487 42 A 4.7527 7.7731 120.5872 49.9874 22.7985 175.9390 43 I 4.0404 7.8998 119.1005 60.5602 38.3768 175.6998 44 V 4.6498 8.3272 127.6675 61.2668 32.9931 174.7667 45 V 4.3648 8.4419 128.2739 61.2100 33.4838 175.7672 46 R 4.4285 8.4773 126.8923 56.0631 31.1811 175.9130 *48 D 4.6029 8.6764 118.2886 54.2508 43.3658 177.5830 49 G 3.8917 8.1307 102.8396 46.4646 0.0000 173.4657 50 H 5.2491 7.9836 117.5164 53.4005 32.2620 173.8015 51 G 4.4083 9.3488 110.2929 43.6916 0.0000 175.4968 52 G 4.1236 8.8764 109.0091 47.2216 0.0000 176.4572 53 G 3.8119 8.2107 108.1173 47.5817 0.0000 175.5083 54 E 4.0407 8.1965 119.8789 58.9983 29.6571 179.1750 55 I 3.6177 7.7130 120.3713 64.0550 37.1724 178.0355 56 L 3.8014 8.2367 121.5508 58.0193 41.6729 178.8181 57 K 3.9060 8.2094 118.4450 59.4882 32.2598 178.3035 58 A 4.1339 7.9774 120.9133 55.2237 18.3042 179.6569 59 I 3.6314 7.8783 118.4758 64.5932 36.9733 178.7588 60 L 4.0607 7.9042 118.5621 57.5029 41.4197 179.3146 61 T 4.1062 7.5745 109.2114 63.7506 68.7490 175.2233 62 V 4.3035 7.8036 111.9091 60.5226 33.2387 175.0374 63 F 4.6513 7.9794 121.7270 55.2260 41.0342 172.0973 64 P 4.5130 0.0000 0.0000 62.5789 32.5001 175.5376 65 L 4.7506 8.4823 123.5216 53.9886 42.7729 176.1798 66 D 4.5581 8.7009 123.9695 55.1221 41.2249 176.2422 67 T 4.4188 8.9269 115.0709 62.3023 69.6324 174.8304 68 Y 4.2499 8.7889 119.5438 58.9631 38.3453 175.5162 69 V 4.6465 7.3910 112.1276 59.2645 35.2114 175.4471 70 D 4.5459 8.6589 121.6059 56.7054 41.1178 176.0827 71 K 4.8885 7.5629 117.5287 53.7383 32.3454 173.8489 72 P 4.5643 0.0000 0.0000 63.9587 33.0898 176.2171 73 A 5.2566 8.0907 123.5100 50.5091 21.7691 175.6149 74 T 5.0427 8.9442 118.1951 60.7473 72.6307 172.2572 75 L 5.0041 8.8003 126.2281 54.7203 43.0686 178.6232 *77 E 4.3721 8.8245 126.1146 56.7106 30.3262 174.7376 78 K 2.8221 8.4583 122.3062 55.5480 32.8975 177.3088 79 V 3.6983 8.3261 122.8730 62.2761 31.9560 173.8172 80 P 4.3414 0.0000 0.0000 64.6061 31.5333 176.3855 81 G 3.8994 9.0467 111.4220 45.1799 0.0000 172.6958 82 D 4.5541 8.0056 119.7756 53.8566 40.7294 175.6006 83 T 4.3671 8.3469 116.4503 60.9929 69.3326 175.2581 84 V 3.5303 7.4075 121.5614 62.0218 31.5933 176.1164 85 A 3.9597 8.3964 126.1952 52.7583 19.5930 177.4513 86 T 4.2876 7.4904 108.6741 58.7420 68.5702 173.2404 87 P 4.1992 0.0000 0.0000 66.2031 31.8637 178.2661 88 I 3.5427 7.4984 117.9647 63.2286 37.7814 177.5262 89 W 4.4413 7.8548 119.8251 60.0975 28.8892 178.0151 90 D 4.5197 8.2074 118.3045 56.8811 40.2471 178.9630 91 V 3.6102 7.6448 118.5380 66.2935 31.4537 177.4486 92 Y 4.4725 8.3855 116.5884 61.1830 37.6472 178.4629 93 A 4.1884 8.3502 121.8281 55.2382 18.3561 179.9451 94 G 3.5826 8.2763 104.1074 48.0222 0.0000 175.9999 95 L 4.1114 8.0146 120.5447 57.5052 41.8416 179.3662 96 I 3.9949 8.2840 122.4926 64.9745 36.8174 179.2412 97 K 4.2010 8.4096 124.6337 59.8564 31.2090 180.7553 98 E 4.2499 7.9269 117.5718 59.0653 29.3553 177.4943 99 H 4.7709 8.3401 114.2330 55.6479 31.3270 173.8350 100 D 4.6488 7.9097 121.4646 52.8028 43.4707 176.3291 101 E 4.1045 9.0679 123.1946 58.8475 30.1440 175.0005 102 R 4.1183 8.5625 116.6477 57.6562 31.4295 178.2164 103 G 3.6614 8.0549 106.5839 46.0080 0.0000 176.3905 104 A 3.9917 8.7909 125.4107 55.1972 18.1383 179.3471 105 D 4.4553 8.1146 114.0298 56.4904 41.1203 176.9985 106 A 4.5368 8.1309 121.1388 51.7108 18.9750 176.4517 107 I 4.6505 7.5918 118.0457 59.5034 38.6848 175.4457 108 G 4.3637 8.7802 115.4129 45.1018 0.0000 171.8254 109 S 5.2911 8.2355 112.4170 57.2208 66.0589 173.5490 110 L 4.8876 8.6102 119.9451 52.5947 45.4860 176.2570 111 E 3.9926 9.0505 123.3708 56.9714 30.5572 177.2362 112 R 3.6374 9.1184 125.3145 60.1761 29.9658 178.8993 113 F 4.3117 8.6406 116.2974 60.2967 39.0305 177.5199 114 A 4.1255 8.6603 120.7495 54.9782 18.0735 179.3765 115 F 3.9162 8.8118 119.5260 61.7390 39.5557 176.9148 116 Y 4.6030 8.0605 116.2930 61.3804 37.4444 178.6054 117 E 4.0743 8.2316 118.5151 59.5146 29.8961 178.9159 118 Q 4.0433 8.3356 119.4492 59.0684 29.1026 178.0673 119 A 4.0033 8.2414 121.9470 54.8219 18.1935 179.4916 120 K 4.3403 7.9864 115.8028 58.6459 32.1697 178.0306 121 N 4.7119 7.7692 114.9549 52.2085 39.2594 175.1553 122 A 4.2519 7.1539 124.1572 52.0511 19.4010 177.2973 123 Y 4.3493 8.9893 122.7526 60.4495 40.1777 175.3874 124 C 5.0894 8.0200 118.0144 57.6420 35.7492 172.7299 125 V 4.6862 8.7877 125.5830 61.2150 33.8884 174.0858 126 I 4.6739 8.9267 129.3829 60.0073 38.6723 175.0628 127 A 4.6985 8.8923 131.5462 50.8744 18.1114 176.9495 128 S 4.3848 8.7834 116.8738 58.3159 64.9657 174.4217 129 G 4.5461 8.4564 104.4796 45.1407 0.0000 173.5291 130 E 4.0708 8.3496 122.8487 56.3524 29.6690 177.9833 131 S 4.3065 8.6677 120.9572 60.0832 63.8796 174.6580 132 A 4.0881 7.9621 124.5512 51.9524 18.5973 177.3551 133 Q 4.0754 8.4010 120.6294 56.4371 29.5552 174.9721 134 Y 3.6660 7.6663 113.8585 59.5577 35.5646 171.1425 135 A 4.9455 8.2440 117.7002 51.9580 19.8887 178.1919 136 N 4.6939 8.0722 114.6008 54.1131 39.6562 174.6984 137 L 4.8216 8.9594 124.5837 53.8887 45.8201 174.6656 138 I 4.5872 8.9525 128.1391 60.4341 38.9523 174.7949 139 L 5.1708 8.8967 126.6774 52.9000 45.0834 175.0314 140 Q 5.1668 8.9411 124.7022 54.1771 31.4495 174.3998 141 K 3.9248 9.2797 128.7341 56.2856 33.4256 176.5928 142 G 3.9774 8.2547 115.6445 45.4868 0.0000 172.8592 143 V 3.7479 7.9555 119.8878 61.1571 32.8628 176.7451 144 V 4.0304 7.6006 125.4249 61.1147 31.6648 175.6873 145 F 4.3402 8.6972 125.2206 57.8038 38.8614 175.7766 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 3 K 8.30 4.33 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 4 G 8.07 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.25 4.13 1.88 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 1.43 0.61 0.92 0.00 0.00 6 P 0.00 4.27 0.00 2.17 1.99 0.00 3.61 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.10 0.00 7 K 8.75 4.05 0.00 1.77 1.74 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.01 7.81 8 I 7.59 3.90 1.63 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.85 0.00 0.00 9 I 7.39 3.95 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.91 0.00 0.00 10 P 0.00 4.54 0.00 2.27 2.19 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 11 P 0.00 4.24 0.00 2.18 2.16 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 12 E 8.19 3.95 0.00 2.03 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 2.38 2.38 0.00 13 L 7.87 4.03 0.00 1.80 1.78 0.92 0.51 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 14 L 7.94 3.96 0.00 1.84 1.85 0.94 0.43 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 15 K 8.08 3.90 0.00 1.90 2.02 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.49 7.81 16 V 7.65 3.95 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 1.09 0.00 0.00 1.01 0.00 0.00 17 L 8.15 4.30 0.00 1.83 1.86 0.95 0.87 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 18 C 8.08 4.39 0.00 3.11 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 19 E 7.98 4.26 0.00 2.10 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 2.65 2.30 0.00 *21 G 7.73 3.54 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 0.00 0.00 0.00 22 H 8.43 4.33 0.00 2.85 3.04 0.00 5.73 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 23 G 8.92 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 24 D 7.88 4.57 0.00 2.70 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 25 Q 8.76 5.45 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 26 L 8.80 5.29 0.00 1.80 1.74 0.67 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.43 4.62 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 0.55 0.00 0.00 0.86 0.00 0.00 28 I 8.99 4.45 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.39 0.87 0.00 0.00 29 A 8.79 4.50 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 30 D 8.59 4.74 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 31 G 8.96 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.90 4.62 0.00 2.76 2.86 0.00 0.00 6.95 8.38 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 33 F 7.99 4.42 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.46 0.00 1.93 1.92 0.00 2.43 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.27 0.00 35 A 8.06 4.40 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 36 E 8.21 4.05 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 37 S 7.86 4.23 0.00 3.97 4.04 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 0.00 0.00 0.00 0.00 38 I 7.59 3.85 2.11 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 1.18 0.00 0.00 39 G 8.20 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 0.00 0.00 0.00 40 K 7.83 3.86 0.00 1.82 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.30 7.81 41 N 8.10 4.84 0.00 2.69 2.83 0.00 0.00 6.61 7.35 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 42 A 7.77 4.75 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 43 I 7.90 4.04 1.61 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.34 0.85 0.00 0.00 44 V 8.33 4.65 2.08 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 0.84 0.00 0.00 0.96 0.00 0.00 45 V 8.44 4.36 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 0.92 0.00 0.00 46 R 8.48 4.43 0.00 1.75 2.11 0.00 3.47 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 *48 D 8.68 4.60 0.00 2.70 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 49 G 8.13 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 50 H 7.98 5.25 0.00 3.18 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.35 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 52 G 8.88 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 53 G 8.21 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.20 4.04 0.00 2.22 2.25 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 2.57 2.42 0.00 55 I 7.71 3.62 2.00 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 1.39 0.70 0.85 0.00 0.00 56 L 8.24 3.80 0.00 1.64 1.83 0.73 0.37 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 57 K 8.21 3.91 0.00 1.91 2.01 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.51 7.81 58 A 7.98 4.13 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.88 3.63 1.71 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.51 0.00 0.00 60 L 7.90 4.06 0.00 1.54 1.46 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.57 4.11 4.28 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 1.33 0.00 0.00 62 V 7.80 4.30 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 0.72 0.00 0.00 1.04 0.00 0.00 63 F 7.98 4.65 0.00 2.89 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 64 P 0.00 4.51 0.00 2.06 2.12 0.00 3.27 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 1.76 1.83 0.00 65 L 8.48 4.75 0.00 1.62 1.70 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.70 4.56 0.00 2.99 2.65 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 0.00 0.00 0.00 0.00 67 T 8.93 4.42 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 1.36 0.00 0.00 68 Y 8.79 4.25 0.00 3.17 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 69 V 7.39 4.65 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.97 0.00 0.00 70 D 8.66 4.55 0.00 2.71 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 71 K 7.56 4.89 0.00 1.68 1.78 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.38 7.81 72 P 0.00 4.56 0.00 2.17 2.48 0.00 3.88 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 2.11 2.15 0.00 73 A 8.09 5.26 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 74 T 8.94 5.04 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 1.25 0.00 0.00 75 L 8.80 5.00 0.00 1.11 0.30 -0.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 *77 E 8.82 4.37 0.00 1.87 1.90 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 2.15 2.30 0.00 78 K 8.46 2.82 0.00 1.51 1.28 0.00 1.41 0.00 0.00 1.13 0.00 0.00 2.73 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.23 7.81 79 V 8.33 3.70 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 1.15 0.00 0.00 1.10 0.00 0.00 80 P 0.00 4.34 0.00 2.11 2.02 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 81 G 9.05 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 82 D 8.01 4.55 0.00 2.73 2.76 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 83 T 8.35 4.37 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 1.20 0.00 0.00 84 V 7.41 3.53 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.92 0.00 0.00 85 A 8.40 3.96 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 86 T 7.49 4.29 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 0.61 0.00 0.00 87 P 0.00 4.20 0.00 2.20 2.26 0.00 3.51 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 88 I 7.50 3.54 1.67 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.85 0.74 0.00 0.00 89 W 7.85 4.44 0.00 3.52 3.15 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 90 D 8.21 4.52 0.00 2.87 2.74 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 0.00 0.00 0.00 0.00 91 V 7.64 3.61 2.08 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 1.10 0.00 0.00 0.93 0.00 0.00 92 Y 8.39 4.47 0.00 3.22 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 93 A 8.35 4.19 1.46 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 94 G 8.28 3.58 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 0.00 0.00 0.00 95 L 8.01 4.11 0.00 1.88 1.82 1.11 0.81 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 96 I 8.28 3.99 2.06 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 1.41 0.86 0.95 0.00 0.00 97 K 8.41 4.20 0.00 1.75 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 98 E 7.93 4.25 0.00 2.08 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 2.35 2.62 0.00 99 H 8.34 4.77 0.00 3.12 3.37 0.00 5.80 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 7.91 4.65 0.00 2.67 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 0.00 101 E 9.07 4.10 0.00 2.02 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 2.23 1.92 0.00 102 R 8.56 4.12 0.00 2.03 2.02 0.00 3.26 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 103 G 8.05 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 0.00 0.00 0.00 104 A 8.79 3.99 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 0.00 105 D 8.11 4.46 0.00 2.87 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 0.00 106 A 8.13 4.54 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.59 4.65 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.82 0.00 0.00 108 G 8.78 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 0.00 0.00 0.00 0.00 109 S 8.24 5.29 0.00 3.68 3.58 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 0.00 110 L 8.61 4.89 0.00 1.74 1.66 0.85 0.77 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 0.00 111 E 9.05 3.99 0.00 2.07 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 2.47 2.37 0.00 112 R 9.12 3.64 0.00 1.85 1.83 0.00 3.16 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.16 0.00 113 F 8.64 4.31 0.00 3.36 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.66 4.13 1.46 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 0.00 115 F 8.81 3.92 0.00 3.17 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 0.00 116 Y 8.06 4.60 0.00 3.34 2.92 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 0.00 117 E 8.23 4.07 0.00 2.20 2.08 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 2.72 2.56 0.00 118 Q 8.34 4.04 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 119 A 8.24 4.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.34 0.00 2.02 1.92 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.64 1.73 7.81 121 N 7.77 4.71 0.00 2.87 2.86 0.00 0.00 6.94 7.03 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 0.00 122 A 7.15 4.25 1.38 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 0.00 0.00 123 Y 8.99 4.35 0.00 3.09 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 0.00 124 C 8.02 5.09 0.00 2.96 2.74 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 0.00 0.00 0.00 0.00 125 V 8.79 4.69 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.99 0.00 0.00 126 I 8.93 4.67 1.90 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 1.13 0.53 0.89 0.00 0.00 127 A 8.89 4.70 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 0.00 128 S 8.78 4.38 0.00 4.15 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 0.00 129 G 8.46 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 0.00 0.00 0.00 0.00 130 E 8.35 4.07 0.00 2.20 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 131 S 8.67 4.31 0.00 4.01 3.97 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 0.00 0.00 0.00 132 A 7.96 4.09 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 0.00 133 Q 8.40 4.08 0.00 2.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 134 Y 7.67 3.67 0.00 3.28 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.24 4.95 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 0.00 136 N 8.07 4.69 0.00 2.11 2.56 0.00 0.00 6.74 7.85 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 0.00 137 L 8.96 4.82 0.00 1.44 1.17 0.82 0.25 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 0.00 138 I 8.95 4.59 1.74 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.24 0.89 0.00 0.00 139 L 8.90 5.17 0.00 1.29 1.53 0.55 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.94 5.17 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 141 K 9.28 3.92 0.00 1.38 1.57 0.00 1.28 0.00 0.00 1.38 0.00 0.00 2.55 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.96 0.21 7.81 142 G 8.25 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 0.00 143 V 7.96 3.75 1.04 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 -0.42 0.00 0.00 0.14 0.00 0.00 144 V 7.60 4.03 1.96 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 0.85 0.00 0.00 0.81 0.00 0.00 145 F 8.70 4.34 0.00 3.07 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.