NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8514 8.3549 109.7520 45.2910 0.0000 173.7028 *2 I 3.9898 7.4438 120.1311 61.1187 38.3029 174.5695 3 R 4.8277 8.5372 119.7051 54.6437 33.4499 174.0544 4 L 4.3061 8.4857 119.4224 54.5780 42.1372 177.8333 5 G 3.8791 8.8384 110.5175 45.5599 0.0000 174.7239 6 K 4.5768 9.4310 121.0017 56.4203 31.9892 180.3381 *8 S 4.3753 9.0197 124.6886 58.8314 64.5170 174.3447 9 D 4.5633 7.8805 120.4058 54.5311 40.8587 177.7553 10 L 3.7187 7.6881 122.1995 58.1815 42.0992 178.2119 11 D 4.3593 7.9963 118.4105 56.7486 39.1755 178.5510 12 Q 3.9228 7.8450 118.8354 58.4695 28.9132 178.2764 13 I 3.3971 7.6884 121.0319 64.3483 37.0189 178.4036 14 L 3.8866 8.0539 119.9118 57.8824 41.4824 179.2291 15 N 4.3241 8.2124 116.7785 56.4336 38.7964 177.0013 16 L 4.0705 8.0518 120.8224 57.4770 41.6308 179.4111 17 V 3.7312 7.8451 118.0047 66.3557 31.5334 178.0597 18 E 3.9948 8.4536 118.2730 59.2359 29.2898 179.0637 19 E 3.9211 8.4110 119.4015 59.0256 29.4754 178.6720 20 A 4.0048 7.9513 119.7941 55.1861 18.5873 179.3146 21 K 4.0661 8.0479 115.6971 59.9132 32.2592 179.2213 22 E 4.1733 8.2335 117.4544 58.8251 29.3993 178.9945 23 L 4.2771 7.5514 121.9614 53.7409 42.7680 178.6593 *25 K 4.1763 8.6395 123.2727 54.8097 32.1491 179.5866 *36 Y 4.5944 8.3780 114.5333 56.4547 39.6601 176.1586 37 P 4.5849 0.0000 0.0000 64.4761 32.3344 178.2622 38 L 3.8418 7.8254 119.5118 58.1063 40.4520 178.7952 39 L 4.1752 8.0781 123.6737 58.8454 42.1985 179.0410 40 E 3.9762 8.1937 117.7508 61.6425 29.6610 180.3044 41 H 4.3478 7.9509 119.2334 58.7713 29.7865 177.5174 42 F 4.3626 8.2819 120.0225 60.5204 38.7661 177.3195 43 E 3.9741 8.4901 118.3772 59.6083 29.3160 179.4199 44 E 3.9167 8.0314 117.9319 59.4539 29.4434 179.0659 45 D 4.4256 8.1344 118.9016 57.5762 40.9240 179.0353 46 I 3.6843 8.0725 120.1577 64.2504 36.8558 178.3981 47 A 4.0189 7.9038 120.7711 54.2452 18.2220 178.7707 48 K 3.9390 7.4005 114.4453 54.9365 33.0725 176.2285 49 D 4.2724 7.4328 118.3430 56.1873 38.8646 173.4592 50 Y 4.9991 8.3073 113.9454 57.7047 40.3147 176.3993 51 L 5.3083 7.7977 122.6071 53.4870 44.9190 174.5539 52 Y 5.2713 9.3082 123.7646 56.4691 41.1990 175.1274 53 V 5.0596 9.1379 114.6112 59.5870 36.3614 174.1982 54 L 4.9508 8.7329 125.0844 53.3853 44.1028 175.0525 55 E 5.2530 8.8672 126.0673 54.3796 32.8997 173.8455 56 E 4.7322 9.0747 128.3290 55.9283 33.3251 176.4930 57 N 4.0585 8.7730 123.0016 54.3982 35.7648 174.6206 58 D 4.7244 8.6539 114.6409 54.9894 40.7237 173.2651 59 K 4.2935 7.9846 121.6730 56.5932 32.8639 175.5420 60 I 4.5839 8.4697 127.7948 60.7164 37.7283 175.3429 61 Y 4.5923 8.8306 122.8082 57.1738 38.9925 175.4513 62 G 4.2511 7.3770 107.8532 46.3075 0.0000 171.6860 63 F 5.6508 8.0759 114.6450 55.7064 42.1292 173.0441 64 I 5.0769 9.1481 118.2995 59.6677 41.9756 173.3601 65 V 5.2171 8.9983 128.6263 61.1831 33.9150 174.6346 66 V 5.1790 8.8451 127.2646 60.6689 34.6415 174.6464 67 D 4.2305 8.4371 120.8524 53.1746 42.8025 176.1278 68 Q 4.5941 8.2492 119.4931 56.1200 30.0316 175.4351 69 D 4.4685 8.6544 121.1509 53.8763 41.1994 175.8781 70 Q 4.3005 8.2100 123.0502 53.4233 30.9394 175.5220 71 A 3.8156 6.8568 126.7852 52.5114 19.0730 178.9953 72 E 3.9976 8.9921 118.6423 58.7868 30.0031 177.6894 73 W 4.8789 8.1744 114.8101 58.2892 28.9437 177.6664 74 Y 4.1218 7.7450 118.0703 61.2943 37.3488 178.2519 75 D 4.5840 7.9299 118.3125 57.0038 40.8336 177.0124 76 D 4.7479 8.6284 118.1789 54.8017 41.2975 175.7578 77 I 4.2895 7.9232 123.0101 60.1474 39.0064 176.6999 *78 D 4.6836 8.0954 123.3821 51.7186 38.3776 175.2684 79 W 4.3120 8.3387 125.0770 55.5796 29.9371 174.6610 80 P 4.7153 0.0000 0.0000 62.4544 31.1466 175.6062 81 V 4.3815 7.0396 116.7786 59.7629 34.4170 174.3274 82 N 4.4445 8.5060 119.6668 53.6515 39.5414 175.0162 83 R 4.1324 8.3692 125.0814 56.7531 31.6558 176.4315 84 E 3.9361 8.2544 114.3904 57.5622 29.6291 182.9078 85 G 3.8190 8.8830 111.2940 44.5573 0.0000 173.1664 86 A 4.3739 7.9895 121.4260 51.8733 19.1777 177.8092 87 F 4.6011 8.7200 118.3949 56.5878 41.5671 175.3218 88 V 4.8952 9.2453 120.8028 61.4543 34.8262 174.2024 89 I 4.4056 8.7773 129.6322 60.8416 37.2143 175.2769 90 H 4.7746 9.1467 125.5406 57.7378 30.4149 175.6098 91 R 5.0531 7.7564 116.3534 55.2089 33.5319 173.6442 92 L 4.8474 8.5893 126.8852 53.9863 45.4463 175.2519 93 T 4.3989 8.4077 121.6212 62.3652 73.1730 173.6889 94 G 4.5158 8.3280 115.1475 44.4461 0.0000 172.2728 95 S 4.8369 8.2580 115.7694 56.9160 66.4665 175.7670 96 K 4.0573 9.2572 123.3061 57.8796 31.4606 179.3255 97 E 4.2653 8.2640 117.7699 59.0845 29.8625 176.8486 98 Y 4.9729 7.6718 118.7036 55.5288 40.4179 174.6155 99 K 4.1396 8.6606 126.1496 58.8191 32.5552 178.5427 100 G 3.7332 8.1846 104.9973 47.1763 0.0000 175.0314 101 A 3.5308 6.3041 122.2652 54.7826 18.1331 179.5420 102 A 3.8361 7.6862 119.2731 55.6244 18.4799 179.9739 103 T 4.1098 7.8275 113.7499 66.9739 68.5595 176.6127 104 E 4.0918 8.1395 120.2645 59.3544 29.4315 179.4848 105 L 3.9429 7.9679 119.0761 57.7063 41.7195 179.2169 106 F 4.0192 8.3260 120.7510 61.4129 39.3072 176.7344 107 N 4.3324 8.2855 116.6675 56.6091 38.7597 176.3432 108 Y 3.9294 8.2039 121.2538 60.6580 38.9088 178.0647 109 V 3.4771 8.0740 119.3029 65.9631 31.5686 178.0476 110 I 3.6959 7.8298 119.5848 64.5228 36.8878 178.1376 111 D 4.2556 7.8956 119.5070 57.1659 40.5505 179.1437 112 V 3.3456 7.3049 118.6834 66.0219 31.5572 178.5524 113 V 3.1280 7.5912 112.1700 64.0293 31.1506 178.7419 114 K 3.8615 8.1049 118.0471 59.4976 31.7264 179.1530 115 A 3.9474 7.8375 119.6816 55.1308 18.3145 179.1025 116 R 4.2014 7.6288 114.0131 56.7886 30.4028 177.6019 117 G 3.9038 8.1374 107.7242 44.9170 0.0000 173.9123 118 A 4.2465 7.7673 124.6010 52.9713 19.0712 178.0538 119 E 4.7781 8.8200 117.2198 56.7273 33.1308 177.0067 120 V 5.0246 7.7329 117.5889 59.9936 35.0194 174.5409 121 I 5.0797 8.7877 124.4376 59.1010 40.7740 174.1372 122 L 5.6484 9.1704 129.2017 54.9290 44.3260 174.9884 123 T 4.8179 8.8096 112.3026 62.6865 71.7682 170.8745 124 D 5.2656 8.6703 119.1817 52.7193 42.4223 176.3161 125 T 4.0990 9.2157 116.9003 67.2462 68.5165 176.4726 126 F 4.6848 8.0000 117.4810 59.2845 39.3040 176.4825 127 A 4.7328 8.7165 124.0741 53.3971 18.4737 177.1595 128 L 5.0071 7.4310 114.4025 52.4911 44.9854 176.2308 129 N 4.6173 8.3009 117.5263 53.0094 39.5730 176.3037 130 K 3.9270 9.0048 121.3514 59.6904 32.0155 177.7498 131 P 4.4277 0.0000 0.0000 64.2816 31.5065 177.3263 132 A 4.4254 7.7677 119.1569 52.1765 19.0187 178.5907 133 Q 3.9667 8.2578 118.8208 59.0174 28.6630 179.0985 134 G 3.8098 8.2556 106.2494 47.9243 0.0000 175.3930 135 L 3.9937 8.1947 121.1087 57.3941 41.5282 179.5127 136 F 4.1786 7.8313 117.9423 60.3823 38.7074 177.3636 137 A 3.9934 8.0498 119.7441 55.1663 18.1106 179.0539 138 K 3.5537 7.8125 116.8195 59.5426 32.1013 177.8201 139 F 4.6188 7.9352 114.7287 56.4547 39.0550 175.8393 140 G 3.8494 8.2316 106.5142 46.6718 0.0000 174.5099 141 F 4.5684 8.3948 117.3428 57.0843 40.3353 175.0702 142 H 4.8836 8.8727 118.4590 53.7080 31.5294 174.1119 143 K 4.0751 8.4383 121.7437 56.6270 32.0865 177.3882 144 V 4.2703 8.1153 112.1557 60.7757 35.4230 173.1718 *159 P 4.1487 0.0000 0.0000 62.2854 31.8476 175.7369 160 F 4.6345 7.7766 117.1040 54.7511 41.0127 173.4770 161 Y 4.6447 8.6021 118.4086 56.3199 42.5710 174.0679 162 A 5.1746 7.8955 123.3813 50.8392 21.8823 175.6957 163 Y 5.5300 9.3865 117.4609 56.4800 42.5946 174.1978 164 Y 5.7407 9.0280 118.8439 55.4466 42.4964 173.9439 165 K 4.5521 9.0749 121.1676 54.6099 35.6817 174.3861 166 N 5.0562 8.8394 126.4000 52.3872 40.1123 174.4874 167 L 4.8379 9.1831 129.0188 54.3401 42.1830 177.5281 168 K 4.0820 7.7929 124.1851 57.4693 32.5115 175.2183 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 0 G 8.35 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.44 3.99 1.19 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 0.15 0.00 0.00 3 R 8.54 4.83 0.00 1.86 2.02 0.00 2.78 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 4 L 8.49 4.31 0.00 1.49 1.52 0.94 0.40 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 5 G 8.84 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 6 K 9.43 4.58 0.00 1.70 0.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.30 7.81 *8 S 9.02 4.38 0.00 3.97 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 9 D 7.88 4.56 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.69 3.72 0.00 1.66 1.59 0.79 1.16 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 11 D 8.00 4.36 0.00 2.86 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 12 Q 7.84 3.92 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 13 I 7.69 3.40 1.46 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.95 -0.83 0.00 0.00 14 L 8.05 3.89 0.00 1.70 1.70 0.91 0.69 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 15 N 8.21 4.32 0.00 2.90 2.91 0.00 0.00 7.26 6.10 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 16 L 8.05 4.07 0.00 2.13 1.84 1.09 0.59 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 17 V 7.85 3.73 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 1.28 0.00 0.00 1.35 0.00 0.00 18 E 8.45 3.99 0.00 2.17 2.01 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 2.33 2.19 0.00 19 E 8.41 3.92 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 20 A 7.95 4.00 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 21 K 8.05 4.07 0.00 1.92 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.72 7.81 22 E 8.23 4.17 0.00 2.36 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 2.35 2.19 0.00 23 L 7.55 4.28 0.00 1.83 1.89 0.94 0.63 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 *25 K 8.64 4.18 0.00 1.84 1.10 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 *36 Y 8.38 4.59 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.58 0.00 2.21 2.30 0.00 3.65 0.00 0.00 3.80 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 38 L 7.83 3.84 0.00 1.60 1.87 1.09 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.08 4.18 0.00 1.79 1.74 0.94 1.09 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 40 E 8.19 3.98 0.00 2.01 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 2.32 1.95 0.00 41 H 7.95 4.35 0.00 3.05 3.06 0.00 5.55 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.28 4.36 0.00 3.23 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 43 E 8.49 3.97 0.00 2.18 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 2.34 2.55 0.00 44 E 8.03 3.92 0.00 2.07 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 2.28 2.44 0.00 45 D 8.13 4.43 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 46 I 8.07 3.68 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.86 0.92 0.00 0.00 47 A 7.90 4.02 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 48 K 7.40 3.94 0.00 1.09 0.74 0.00 1.64 0.00 0.00 1.40 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.12 1.36 7.81 49 D 7.43 4.27 0.00 2.72 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 50 Y 8.31 5.00 0.00 2.88 2.94 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 51 L 7.80 5.31 0.00 1.82 1.52 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 9.31 5.27 0.00 2.97 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 53 V 9.14 5.06 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 0.71 0.00 0.00 0.96 0.00 0.00 54 L 8.73 4.95 0.00 1.75 1.61 1.00 0.98 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 55 E 8.87 5.25 0.00 1.94 1.80 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 2.31 2.28 0.00 56 E 9.07 4.73 0.00 2.19 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 2.18 2.08 0.00 57 N 8.77 4.06 0.00 2.93 2.55 0.00 0.00 6.60 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.65 4.72 0.00 2.69 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 59 K 7.98 4.29 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.41 1.28 7.81 60 I 8.47 4.58 1.78 0.00 0.00 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 1.28 0.63 0.96 0.00 0.00 61 Y 8.83 4.59 0.00 3.10 3.12 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 62 G 7.38 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 0.00 0.00 0.00 0.00 63 F 8.08 5.65 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 9.15 5.08 1.83 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 1.13 1.60 1.05 0.00 0.00 65 V 9.00 5.22 2.31 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 1.18 0.00 0.00 1.32 0.00 0.00 66 V 8.85 5.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.17 0.00 0.00 67 D 8.44 4.23 0.00 1.68 1.54 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 68 Q 8.25 4.59 0.00 1.64 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 1.30 1.34 0.00 69 D 8.65 4.47 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.21 4.30 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 71 A 6.86 3.82 0.40 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 72 E 8.99 4.00 0.00 1.90 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 2.32 1.89 0.00 73 W 8.17 4.88 0.00 3.75 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 74 Y 7.74 4.12 0.00 3.00 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 75 D 7.93 4.58 0.00 2.84 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.63 4.75 0.00 3.12 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 77 I 7.92 4.29 1.26 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.18 0.00 0.00 *78 D 8.10 4.68 0.00 2.69 2.49 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 79 W 8.34 4.31 0.00 3.16 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 80 P 0.00 4.72 0.00 2.10 2.12 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 1.39 2.01 0.00 81 V 7.04 4.38 1.54 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 0.44 0.00 0.00 0.82 0.00 0.00 82 N 8.51 4.44 0.00 2.66 2.70 0.00 0.00 6.93 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 83 R 8.37 4.13 0.00 1.66 1.66 0.00 2.69 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.05 0.00 84 E 8.25 3.94 0.00 1.97 1.80 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 2.27 2.17 0.00 85 G 8.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.99 4.37 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 87 F 8.72 4.60 0.00 3.03 3.02 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 88 V 9.25 4.90 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 0.89 0.00 0.00 0.95 0.00 0.00 89 I 8.78 4.41 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.77 0.58 0.00 0.00 90 H 9.15 4.77 0.00 3.20 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.76 5.05 0.00 2.05 1.94 0.00 3.50 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.71 0.00 92 L 8.59 4.85 0.00 1.27 1.18 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 93 T 8.41 4.40 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 94 G 8.33 4.52 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 0.00 95 S 8.26 4.84 0.00 4.06 4.07 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 96 K 9.26 4.06 0.00 1.78 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.29 7.81 97 E 8.26 4.27 0.00 2.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.86 0.00 98 Y 7.67 4.97 0.00 2.60 2.70 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 99 K 8.66 4.14 0.00 1.94 1.82 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.08 7.81 100 G 8.18 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 6.30 3.53 1.03 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 0.00 0.00 102 A 7.69 3.84 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 0.00 103 T 7.83 4.11 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 1.36 0.00 0.00 104 E 8.14 4.09 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 105 L 7.97 3.94 0.00 1.82 1.67 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.33 4.02 0.00 3.00 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 0.00 107 N 8.29 4.33 0.00 3.25 3.06 0.00 0.00 6.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Y 8.20 3.93 0.00 3.07 2.98 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 0.00 109 V 8.07 3.48 2.21 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 0.98 0.00 0.00 0.93 0.00 0.00 110 I 7.83 3.70 1.85 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.70 0.90 0.00 0.00 111 D 7.90 4.26 0.00 2.75 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 0.00 112 V 7.30 3.35 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 0.96 0.00 0.00 0.37 0.00 0.00 113 V 7.59 3.13 1.56 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 0.13 0.00 0.00 0.91 0.00 0.00 114 K 8.10 3.86 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.55 7.81 115 A 7.84 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.63 4.20 0.00 1.91 2.04 0.00 2.99 0.00 0.00 3.34 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 117 G 8.14 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 0.00 118 A 7.77 4.25 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 0.00 119 E 8.82 4.78 0.00 1.65 1.93 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 2.21 1.84 0.00 120 V 7.73 5.02 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 0.76 0.00 0.00 0.95 0.00 0.00 121 I 8.79 5.08 1.99 0.00 0.00 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 1.64 1.69 0.99 0.00 0.00 122 L 9.17 5.65 0.00 1.93 2.08 0.88 -0.04 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 0.00 123 T 8.81 4.82 4.31 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 1.04 0.00 0.00 124 D 8.67 5.27 0.00 3.43 3.17 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 0.00 125 T 9.22 4.10 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 126 F 8.00 4.68 0.00 3.45 3.12 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 0.00 127 A 8.72 4.73 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 0.00 128 L 7.43 5.01 0.00 1.39 1.39 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.30 4.62 0.00 2.74 2.75 0.00 0.00 6.82 7.21 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 0.00 130 K 9.00 3.93 0.00 1.94 1.94 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.13 7.81 131 P 0.00 4.43 0.00 2.03 2.12 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 132 A 7.77 4.43 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 0.00 133 Q 8.26 3.97 0.00 2.37 2.41 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 2.38 2.27 0.00 134 G 8.26 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 0.00 135 L 8.19 3.99 0.00 1.62 1.97 1.02 1.10 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 0.00 136 F 7.83 4.18 0.00 2.99 2.43 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 0.00 137 A 8.05 3.99 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 0.00 138 K 7.81 3.55 0.00 1.49 1.52 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.42 1.09 7.81 139 F 7.94 4.62 0.00 2.99 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 0.00 140 G 8.23 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.39 4.57 0.00 3.05 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 0.00 142 H 8.87 4.88 0.00 1.91 2.89 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.44 4.08 0.00 1.30 1.26 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.31 1.04 7.81 144 V 8.12 4.27 1.50 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 0.92 0.00 0.00 -0.15 0.00 0.00 *159 P 0.00 4.15 0.00 2.02 2.04 0.00 3.73 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 1.90 1.97 0.00 160 F 7.78 4.63 0.00 2.39 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 0.00 161 Y 8.60 4.64 0.00 2.20 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 0.00 0.00 0.00 0.00 162 A 7.90 5.17 0.98 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 0.00 163 Y 9.39 5.53 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 0.00 164 Y 9.03 5.74 0.00 3.20 3.45 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 0.00 165 K 9.07 4.55 0.00 0.79 1.07 0.00 1.18 0.00 0.00 1.34 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.11 1.04 7.81 166 N 8.84 5.06 0.00 3.03 2.74 0.00 0.00 7.23 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 0.00 167 L 9.18 4.84 0.00 1.57 1.65 0.91 0.78 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 0.00 168 K 7.79 4.08 0.00 1.79 1.71 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.