NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 D 4.6485 8.2076 120.5291 54.1001 42.3719 176.2418 24 S 4.0709 8.5576 120.0410 60.5931 63.0162 173.2143 25 E 4.0164 8.8797 123.7500 59.2126 29.6763 180.1488 26 I 3.7056 7.5232 119.3907 64.5798 37.2682 178.8122 27 V 3.6051 7.8307 113.1666 63.9309 31.2243 178.7101 28 K 3.8736 7.8902 118.9520 59.3842 32.1400 178.4639 29 A 3.9720 7.9441 121.0089 55.4616 18.2943 179.5580 30 L 4.0070 8.1980 117.5402 57.9034 41.6424 180.1243 31 G 3.6033 8.2418 105.7744 47.9439 0.0000 175.5791 32 D 4.4267 8.5846 121.8318 57.0140 40.7243 178.8992 33 L 4.0259 8.0948 119.7035 57.7273 41.5800 179.0293 34 D 4.3333 8.2888 118.0972 57.3140 41.0901 178.1587 35 E 3.9674 8.2210 119.2140 59.1802 29.3926 178.9970 36 L 3.9443 8.0230 120.3508 58.3618 42.2724 178.6372 37 N 4.3227 8.4168 116.9074 56.6814 38.7740 177.0685 38 S 4.1209 8.0289 116.8933 61.4935 62.8857 176.7346 39 V 3.5839 8.1031 121.2080 65.8269 31.1899 178.0098 40 L 4.0905 8.3021 119.2506 57.7928 41.3593 179.7590 41 G 3.5573 7.9977 105.5843 47.5007 0.0000 175.9709 42 V 3.4034 7.5547 120.5327 65.7617 31.4993 178.1103 43 V 3.6064 7.8807 118.2111 66.1659 31.4482 177.7938 44 S 4.1140 8.2175 112.7020 61.7170 62.0217 176.3437 45 S 4.2333 8.1139 116.7204 61.5357 62.5764 176.3299 46 L 4.3664 7.8792 120.8851 56.0366 43.0748 176.6729 47 Y 4.5780 8.2728 119.7556 54.1284 38.5915 173.4375 48 P 4.3366 0.0000 0.0000 64.4708 32.1111 178.6592 49 E 3.8992 7.6990 116.2542 58.8406 29.4994 178.1196 50 L 4.6738 8.1402 117.2036 54.5202 41.5848 178.2049 51 S 4.1930 8.1539 119.8376 61.0451 62.2767 176.1334 52 E 3.9598 8.2113 121.1386 59.5271 29.3685 178.9927 53 V 3.7094 7.7640 117.5624 66.1047 31.6558 177.9273 54 I 3.8160 8.1513 119.9360 64.4588 36.8342 178.4800 55 Q 4.2733 8.5264 120.7054 58.2034 28.4419 178.9278 56 K 4.0612 7.8495 118.9742 59.3904 32.0903 179.4022 57 L 4.2407 7.8615 118.9384 57.9099 41.1734 179.5768 58 Q 4.8198 8.4277 119.7258 58.4951 28.6166 178.4453 59 N 4.4374 8.5684 117.8787 56.6229 38.6377 177.1408 60 D 4.5464 8.3804 120.1658 57.5792 40.8060 179.0445 61 I 3.7377 7.9719 120.3706 64.1315 37.0709 178.3091 62 F 4.0473 8.4247 121.6852 61.2943 39.2558 177.4136 63 S 4.0926 8.3241 114.8681 61.6231 62.6519 176.7867 64 I 3.0908 7.7008 122.7853 64.2212 36.7658 178.6228 65 S 3.9580 7.9796 116.3054 61.7218 62.5557 177.0305 66 S 3.9877 8.0055 118.0888 61.3862 62.3590 176.6976 67 E 4.4225 8.0053 122.6882 59.0858 29.0455 179.3619 68 I 3.6868 7.5103 118.3541 64.1442 37.2209 177.5702 69 A 4.2897 7.6931 118.8295 52.3085 18.4183 177.8124 70 G 3.8070 8.0380 105.2782 45.2505 0.0000 174.4212 71 F 4.4354 8.6367 119.6594 56.7108 40.9356 173.6836 72 D 4.8596 8.2204 118.7679 53.8182 43.8678 174.2055 *74 N 4.5106 8.3231 118.3129 52.8946 39.9779 174.3650 75 F 3.9866 8.9350 120.4001 58.2997 39.6872 173.9704 76 S 4.8437 7.8748 121.7818 55.8678 65.9598 174.4788 77 D 4.4067 8.5481 119.3656 57.3323 40.3503 178.5243 78 E 3.9585 7.8432 119.4236 59.0777 29.2759 179.1277 79 K 3.9205 8.0945 119.0729 59.3262 32.0641 179.3831 80 V 3.7116 7.7607 118.0059 66.0984 31.4672 178.0142 81 K 4.0974 8.1548 118.1917 59.3953 31.8231 179.5070 82 G 3.6484 8.0171 105.8533 47.7307 0.0000 175.9339 83 I 3.7211 7.5226 122.0216 64.2593 37.1788 178.0367 84 E 3.9536 8.2101 119.4798 59.6714 29.2443 179.2156 85 E 3.9470 8.4698 119.2116 59.2502 29.6262 178.9125 86 L 4.0072 7.7510 118.5408 57.7979 41.7333 179.2243 87 I 3.7833 8.2299 120.2165 64.9568 37.2513 178.5562 88 T 3.8750 7.9503 116.0543 66.8670 68.1082 176.6403 89 N 4.3903 8.1709 117.2542 56.4756 38.9141 176.8367 90 Y 4.2317 8.2439 118.1714 60.7518 38.0142 178.1565 91 S 4.2992 8.3087 116.1097 61.0379 62.6790 176.2273 92 K 4.1940 7.5438 118.6892 58.2450 31.7658 178.0103 93 E 4.3679 7.8866 117.9896 56.8342 30.2379 176.5558 94 L 4.3910 7.1370 117.8682 54.1022 42.7105 175.5466 95 E 4.7681 8.0551 118.6895 53.5615 32.5056 174.2056 96 P 3.9861 0.0000 0.0000 62.6648 31.5995 176.7497 97 L 4.1254 8.3397 124.8205 54.7831 39.8091 176.3588 98 R 3.9094 7.8346 124.8348 57.0694 30.9047 178.3842 99 N 5.1974 7.5401 118.8247 51.5625 41.9866 173.7319 100 F 4.5237 8.9767 116.9328 57.7278 40.5473 175.0891 101 V 4.8445 8.6484 122.9897 61.7015 32.8374 174.6848 102 L 4.8182 9.0967 128.4674 52.0208 43.6540 174.7245 103 P 3.6368 0.0000 0.0000 62.4789 31.6343 176.0711 104 G 3.8756 8.6682 110.3000 46.1305 0.0000 173.0082 105 G 4.0054 8.1922 107.3648 44.9967 0.0000 176.1724 106 H 4.3082 10.0417 124.4410 55.2717 31.4954 175.0145 107 I 3.5741 8.1677 126.6423 64.4920 37.8734 177.9961 108 A 4.2478 8.4274 120.8740 55.2738 18.1582 179.3362 109 S 3.9350 7.9690 111.0809 61.7642 62.5629 176.4593 110 S 4.1568 7.9777 117.6207 61.6435 62.5015 176.6935 111 F 4.3666 8.1577 120.2624 60.0766 38.6043 177.8439 112 L 4.1537 8.0354 119.1692 57.8611 41.3276 179.0795 113 H 4.1676 8.2229 116.3443 58.7052 28.5828 177.4564 114 L 3.9711 8.0703 121.9107 58.1777 41.8859 178.7634 115 A 4.0307 8.4826 121.0393 55.2478 18.3213 179.4855 116 R 3.8461 8.4383 117.2854 59.6141 30.1652 178.6307 117 A 4.0182 8.2242 120.5494 55.2133 18.3168 179.8333 118 V 3.5795 8.2109 117.2101 66.1789 31.5074 177.7671 119 C 4.1238 8.5764 118.9818 62.5856 31.3835 175.8551 120 R 3.9182 8.1913 119.7128 59.0944 29.6209 178.9830 121 R 3.8740 8.1013 118.3802 59.4772 30.1354 178.5297 122 A 4.0531 8.4021 120.8519 54.8838 18.1590 179.2807 123 E 3.9084 8.4109 118.4795 59.4965 29.7292 179.2300 124 R 3.9456 8.1266 118.1310 59.3363 29.9888 179.2358 125 S 4.1085 8.0438 114.9262 61.6861 62.8451 176.9915 126 V 3.5991 7.9425 120.9346 65.9071 31.3623 178.2188 127 V 3.6087 7.9623 118.1097 66.2660 31.1184 178.0741 128 T 3.8986 7.6515 114.6654 66.7140 68.5787 176.2203 129 L 4.1718 7.7170 120.8479 57.2534 41.6568 179.1085 130 L 4.0218 7.9855 120.6830 57.9948 41.8565 178.5894 131 K 4.3242 7.8537 115.2274 57.5148 32.0984 177.7325 132 E 4.5663 7.5117 117.0272 54.9370 30.7827 175.1615 133 S 3.7989 7.9727 112.3110 59.8100 61.0912 171.4402 134 K 4.4822 8.4789 114.9328 55.3796 32.2777 175.7411 135 A 4.6446 7.4958 120.2082 51.3118 22.0580 176.1335 136 K 4.5582 8.1455 118.4728 54.7332 34.1837 177.9962 137 E 3.9766 8.7854 121.8677 59.7040 29.2532 180.2156 138 V 3.9664 7.8025 118.5249 64.7975 31.4556 178.1825 139 H 4.2073 8.3892 117.2058 58.9136 28.5627 177.5673 140 A 4.0710 8.0091 122.0619 54.9990 18.3134 179.4383 141 K 3.9171 8.6717 118.6861 59.6496 32.2290 178.3634 142 Y 4.0747 8.4488 120.2298 60.9185 38.7960 178.1706 143 L 4.0650 8.2401 119.8273 57.6914 41.3733 178.9920 144 N 4.7134 8.2606 118.5238 56.4560 38.9616 177.2394 145 R 3.9135 8.0441 119.2758 58.7245 30.0151 178.7231 146 L 3.8070 7.9920 121.0619 58.1168 42.0775 179.0445 147 S 4.1438 8.0272 114.1547 61.7257 62.6973 176.7240 148 S 4.1040 7.5897 118.4259 61.2819 62.5258 176.3916 149 L 3.9944 7.9976 122.9476 58.1583 41.8001 178.9624 150 L 3.9169 8.3273 119.3656 57.5740 41.5592 179.2362 151 F 3.9237 8.1981 120.5643 61.3574 39.3542 177.2141 152 V 3.5288 7.8940 117.7978 66.1811 31.1724 177.9913 153 L 3.6910 8.1107 118.5456 57.4434 41.4697 179.3575 154 A 3.7656 7.6783 120.9250 54.9891 18.2530 179.7194 155 L 3.7997 7.3688 117.0904 57.5509 41.5199 179.9015 156 V 3.5107 7.6755 118.4340 65.8440 31.5110 178.1407 157 V 3.0829 7.6367 118.1278 66.0417 31.2732 177.7254 158 N 4.2666 7.7914 115.6486 56.1404 38.2249 177.3678 159 K 3.9367 8.0556 120.9972 59.6453 32.1029 179.1962 160 R 4.0355 8.2305 117.8114 58.4463 30.0070 178.0425 161 T 4.4050 7.5683 107.0632 60.2741 70.0099 174.1740 162 N 4.1352 7.6844 117.4026 55.1876 36.4164 174.3981 163 N 4.9663 8.4491 114.4264 50.5926 41.0362 173.9448 164 P 4.4050 0.0000 0.0000 62.4531 32.1420 176.1190 165 N 4.6057 8.4320 118.8879 52.9659 39.6271 174.5331 166 V 4.3558 8.1803 120.5901 61.6797 33.0740 174.7047 167 I 5.0425 8.2675 121.3230 58.8597 40.0070 175.3741 168 W 4.4421 8.9020 132.9886 57.8733 30.1902 175.7479 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 23 D 8.21 4.65 0.00 2.79 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 24 S 8.56 4.07 0.00 4.12 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 25 E 8.88 4.02 0.00 2.03 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 2.39 2.39 0.00 26 I 7.52 3.71 2.01 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 1.62 0.62 0.89 0.00 0.00 27 V 7.83 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 0.79 0.00 0.00 0.99 0.00 0.00 28 K 7.89 3.87 0.00 2.00 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.45 7.81 29 A 7.94 3.97 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 30 L 8.20 4.01 0.00 1.81 1.70 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.24 3.60 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 0.00 0.00 0.00 32 D 8.58 4.43 0.00 2.80 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 33 L 8.09 4.03 0.00 1.85 1.69 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.29 4.33 0.00 2.81 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 35 E 8.22 3.97 0.00 2.26 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 2.48 0.00 36 L 8.02 3.94 0.00 1.80 1.88 1.02 0.43 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 37 N 8.42 4.32 0.00 3.00 2.84 0.00 0.00 7.31 7.19 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 38 S 8.03 4.12 0.00 4.12 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 39 V 8.10 3.58 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 1.23 0.00 0.00 1.05 0.00 0.00 40 L 8.30 4.09 0.00 1.95 1.73 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.00 3.56 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 42 V 7.55 3.40 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 -0.05 0.00 0.00 0.75 0.00 0.00 43 V 7.88 3.61 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.04 0.00 0.00 44 S 8.22 4.11 0.00 3.94 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 45 S 8.11 4.23 0.00 3.95 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 46 L 7.88 4.37 0.00 1.87 1.88 1.03 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.27 4.58 0.00 2.97 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 48 P 0.00 4.34 0.00 2.09 2.06 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 49 E 7.70 3.90 0.00 1.43 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 2.14 2.20 0.00 50 L 8.14 4.67 0.00 1.97 1.71 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.15 4.19 0.00 3.96 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 52 E 8.21 3.96 0.00 2.05 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 2.42 2.40 0.00 53 V 7.76 3.71 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 1.12 0.00 0.00 1.11 0.00 0.00 54 I 8.15 3.82 1.97 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 1.53 0.63 0.97 0.00 0.00 55 Q 8.53 4.27 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 56 K 7.85 4.06 0.00 2.09 1.93 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.66 7.81 57 L 7.86 4.24 0.00 1.91 1.86 0.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.43 4.82 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 59 N 8.57 4.44 0.00 3.04 2.93 0.00 0.00 7.03 8.11 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 60 D 8.38 4.55 0.00 2.98 2.53 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 61 I 7.97 3.74 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.93 0.00 0.00 62 F 8.42 4.05 0.00 3.12 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 63 S 8.32 4.09 0.00 4.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.70 3.09 1.64 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 -0.36 0.52 0.00 0.00 65 S 7.98 3.96 0.00 3.64 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 66 S 8.01 3.99 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 4.42 0.00 2.07 2.05 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 2.38 2.40 0.00 68 I 7.51 3.69 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.38 0.87 0.00 0.00 69 A 7.69 4.29 1.44 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 0.00 0.00 70 G 8.04 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 71 F 8.64 4.44 0.00 3.14 3.04 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 72 D 8.22 4.86 0.00 2.62 2.53 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 *74 N 8.32 4.51 0.00 2.79 2.87 0.00 0.00 6.94 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 75 F 8.93 3.99 0.00 3.19 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 76 S 7.87 4.84 0.00 3.98 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 77 D 8.55 4.41 0.00 2.71 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 78 E 7.84 3.96 0.00 2.05 1.88 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 2.27 2.36 0.00 79 K 8.09 3.92 0.00 1.58 1.71 0.00 1.46 0.00 0.00 1.36 0.00 0.00 2.58 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.89 0.21 7.81 80 V 7.76 3.71 2.28 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 1.11 0.00 0.00 1.13 0.00 0.00 81 K 8.15 4.10 0.00 2.01 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 82 G 8.02 3.65 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 0.00 0.00 0.00 83 I 7.52 3.72 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.08 0.78 0.00 0.00 84 E 8.21 3.95 0.00 2.13 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 2.64 2.49 0.00 85 E 8.47 3.95 0.00 2.02 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 0.00 2.29 2.34 0.00 86 L 7.75 4.01 0.00 2.00 1.94 1.01 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.23 3.78 2.09 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 1.56 0.82 0.95 0.00 0.00 88 T 7.95 3.88 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 89 N 8.17 4.39 0.00 2.45 2.64 0.00 0.00 7.16 8.07 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 90 Y 8.24 4.23 0.00 3.15 2.97 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 91 S 8.31 4.30 0.00 4.14 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 92 K 7.54 4.19 0.00 1.93 1.86 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.72 7.81 93 E 7.89 4.37 0.00 2.25 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 2.32 2.36 0.00 94 L 7.14 4.39 0.00 1.82 1.61 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.06 4.77 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 96 P 0.00 3.99 0.00 2.04 2.02 0.00 3.68 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 2.04 2.13 0.00 97 L 8.34 4.13 0.00 1.61 1.57 1.12 0.90 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 98 R 7.83 3.91 0.00 1.83 1.86 0.00 3.27 0.00 0.00 3.25 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 99 N 7.54 5.20 0.00 2.87 3.01 0.00 0.00 6.89 7.45 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 0.00 100 F 8.98 4.52 0.00 3.13 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 0.00 101 V 8.65 4.84 2.40 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 0.90 0.00 0.00 1.09 0.00 0.00 102 L 9.10 4.82 0.00 1.56 1.59 1.08 0.34 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 0.00 103 P 0.00 3.64 0.00 1.95 1.93 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 104 G 8.67 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 0.00 105 G 8.19 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 0.00 106 H 10.04 4.31 0.00 3.13 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.17 3.57 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.96 0.00 0.00 108 A 8.43 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 0.00 109 S 7.97 3.94 0.00 3.79 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 0.00 110 S 7.98 4.16 0.00 3.80 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.16 4.37 0.00 3.33 3.05 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 0.00 112 L 8.04 4.15 0.00 1.80 1.76 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.22 4.17 0.00 3.39 3.38 0.00 5.63 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 0.00 114 L 8.07 3.97 0.00 1.98 1.93 1.12 1.22 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 0.00 115 A 8.48 4.03 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 0.00 116 R 8.44 3.85 0.00 2.02 2.21 0.00 3.22 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 117 A 8.22 4.02 1.41 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 0.00 118 V 8.21 3.58 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 1.12 0.00 0.00 1.01 0.00 0.00 119 C 8.58 4.12 0.00 3.11 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.92 0.00 2.08 1.97 0.00 3.18 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 121 R 8.10 3.87 0.00 1.90 2.21 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 122 A 8.40 4.05 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 E 8.41 3.91 0.00 2.24 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 0.00 2.32 2.38 0.00 124 R 8.13 3.95 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 125 S 8.04 4.11 0.00 4.03 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 0.00 126 V 7.94 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 1.04 0.00 0.00 0.98 0.00 0.00 127 V 7.96 3.61 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 0.98 0.00 0.00 1.03 0.00 0.00 128 T 7.65 3.90 4.47 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 1.22 0.00 0.00 129 L 7.72 4.17 0.00 1.78 1.71 0.91 0.56 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 0.00 130 L 7.99 4.02 0.00 1.90 1.84 1.00 0.34 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 0.00 131 K 7.85 4.32 0.00 1.81 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.68 7.81 132 E 7.51 4.57 0.00 2.00 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 2.19 2.44 0.00 133 S 7.97 3.80 0.00 4.02 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 0.00 134 K 8.48 4.48 0.00 1.82 1.77 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.49 7.81 135 A 7.50 4.64 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 0.00 136 K 8.15 4.56 0.00 1.30 1.60 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.35 7.81 137 E 8.79 3.98 0.00 2.02 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 0.00 2.42 2.39 0.00 138 V 7.80 3.97 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 1.18 0.00 0.00 1.20 0.00 0.00 139 H 8.39 4.21 0.00 3.38 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.01 4.07 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 0.00 141 K 8.67 3.92 0.00 1.93 1.92 0.00 1.68 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 1.49 1.48 7.81 142 Y 8.45 4.07 0.00 3.49 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 0.00 143 L 8.24 4.07 0.00 1.96 1.76 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.26 4.71 0.00 2.96 3.03 0.00 0.00 6.89 8.29 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 0.00 145 R 8.04 3.91 0.00 1.73 1.88 0.00 3.51 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.75 0.00 146 L 7.99 3.81 0.00 1.45 1.75 0.89 0.86 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 0.00 147 S 8.03 4.14 0.00 4.11 4.13 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 0.00 148 S 7.59 4.10 0.00 3.96 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 0.00 149 L 8.00 3.99 0.00 1.76 1.81 0.95 0.46 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 0.00 150 L 8.33 3.92 0.00 1.90 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.20 3.92 0.00 3.07 3.25 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 0.00 152 V 7.89 3.53 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 1.03 0.00 0.00 1.08 0.00 0.00 153 L 8.11 3.69 0.00 1.71 1.47 0.75 0.20 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 0.00 154 A 7.68 3.77 1.02 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 0.00 155 L 7.37 3.80 0.00 1.68 1.58 0.77 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.68 3.51 2.05 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 1.09 0.00 0.00 0.97 0.00 0.00 157 V 7.64 3.08 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 0.33 0.00 0.00 0.42 0.00 0.00 158 N 7.79 4.27 0.00 2.73 3.04 0.00 0.00 6.72 6.96 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 0.00 159 K 8.06 3.94 0.00 1.90 1.88 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 160 R 8.23 4.04 0.00 1.85 2.07 0.00 3.32 0.00 0.00 3.41 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 161 T 7.57 4.40 4.34 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 1.35 0.00 0.00 162 N 7.68 4.14 0.00 2.86 2.92 0.00 0.00 6.72 7.86 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 0.00 163 N 8.45 4.97 0.00 2.70 2.74 0.00 0.00 6.86 7.92 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 0.00 164 P 0.00 4.40 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 165 N 8.43 4.61 0.00 2.72 2.75 0.00 0.00 6.84 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 V 8.18 4.36 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 1.03 0.00 0.00 0.93 0.00 0.00 167 I 8.27 5.04 2.01 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 0.84 0.98 0.00 0.00 168 W 8.90 4.44 0.00 3.36 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.