NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 H 4.7944 8.4449 116.3259 55.0392 29.8846 172.8683 7 E 4.0117 8.5734 120.2923 55.8617 30.1396 174.9120 8 A 4.6439 9.0835 124.5564 51.0396 21.1232 177.2625 9 S 4.4278 8.6265 117.0756 58.6864 64.1384 174.0137 10 R 4.7300 9.0873 121.3402 54.4847 33.9864 174.3215 11 V 4.6379 8.5547 123.2463 61.4022 33.3157 174.9907 12 L 4.7444 9.3517 129.0382 53.0655 43.1555 176.1321 13 R 4.6454 9.4339 124.0456 55.8183 31.5566 175.4065 14 E 4.6433 8.8250 122.5984 54.2782 32.4393 175.4001 15 R 4.2350 8.2571 125.0599 55.9440 33.3296 174.7326 16 D 4.3374 9.2821 124.8106 55.7778 38.4554 172.9605 17 Y 3.1807 8.1279 109.7637 59.0377 36.2539 170.3927 18 R 4.7461 7.4869 118.2636 54.1864 32.6277 174.7539 19 W 4.9833 9.0156 122.9546 54.6277 30.6783 175.6813 20 E 4.0948 8.8407 122.6096 57.7442 29.5278 177.4751 21 G 4.0517 9.3699 110.4481 45.2303 0.0000 173.0244 22 T 4.7448 7.2691 107.3305 59.6957 71.6734 173.0355 23 E 4.7399 8.3926 121.1669 54.4201 32.1079 175.7778 24 E 4.3095 8.6785 121.8189 56.2889 30.0877 176.3414 25 E 4.4269 8.7215 122.5563 57.3265 32.4164 177.3150 *35 S 4.2425 7.9454 111.7570 57.6586 65.1974 174.5746 36 G 3.9510 7.6773 110.2258 44.4392 0.0000 171.9173 37 A 5.0206 8.3824 121.3567 50.2665 21.9848 176.9084 38 R 4.3603 9.0861 120.4822 55.1039 31.6385 175.4905 39 R 4.3259 8.4480 124.8020 54.6212 31.9974 175.1676 40 Q 4.5285 8.8102 125.1344 54.2930 31.6641 174.8441 41 T 4.3633 8.4368 121.8253 63.3750 68.5405 174.7279 42 L 4.2356 8.8258 127.7494 56.8400 42.7452 177.8661 43 V 4.4125 7.5612 119.4850 61.5140 34.6915 174.2527 44 G 4.2367 8.9429 113.9642 45.6356 0.0000 174.0361 45 R 4.1077 9.3325 119.2397 58.8048 30.2900 177.8306 46 P 4.1492 0.0000 0.0000 65.6668 31.2577 177.5096 47 A 4.0201 7.8136 117.9517 53.1952 18.4433 177.8931 48 G 4.0993 8.0625 104.1091 45.4328 0.0000 175.2307 49 Q 4.2749 7.7413 120.3688 54.7977 27.0818 175.1683 50 E 4.1382 8.1164 120.6231 57.9376 30.7132 178.0378 51 A 4.0779 8.1185 121.0495 54.6388 18.4869 176.3651 52 P 4.2492 0.0000 0.0000 62.4140 31.9795 176.2504 53 A 4.5452 8.4734 120.9302 52.8106 19.2934 176.7631 54 F 5.4738 7.3406 109.5175 55.3402 41.5243 173.7186 55 E 4.9294 9.6140 119.2642 54.9356 33.1634 175.2271 56 T 5.1456 9.0653 119.5286 62.0871 71.6437 173.3854 57 R 5.0665 9.1669 124.9123 54.4220 34.7580 173.6656 58 Y 5.1018 8.8867 122.7268 55.9237 41.3399 174.3413 59 F 4.5785 8.0717 124.9971 55.2674 42.4435 173.8755 60 E 4.8319 8.9094 123.5899 54.2307 32.5613 174.4774 61 V 4.7133 8.9328 126.7927 60.7804 34.3190 174.7385 62 E 4.4490 8.8076 127.0715 55.5147 30.8264 174.7680 63 P 4.3601 0.0000 0.0000 64.5938 31.7504 177.0875 64 G 3.9694 9.0795 111.7856 45.0828 0.0000 173.5760 65 G 4.1302 8.2071 108.1580 45.9876 0.0000 172.1342 66 Y 5.4813 7.9628 116.5635 55.7191 41.5677 174.9378 67 T 4.2425 8.5200 112.4625 61.1828 70.6330 174.0743 68 T 4.1831 8.2588 118.7424 62.8890 69.0056 174.5221 69 L 4.4963 8.5561 129.3860 55.3620 42.7030 175.5292 70 E 5.3423 8.8177 122.8335 55.9576 33.6028 173.9852 71 R 4.8790 8.4999 115.8115 55.1908 33.3215 173.4272 72 H 4.6917 7.7193 113.3197 54.9358 30.9961 174.4186 73 E 3.4675 9.7605 121.3265 59.1775 29.6568 177.2702 74 H 4.6192 8.2439 113.4651 55.7087 29.4001 175.4988 75 T 4.5196 8.3529 110.2293 61.1080 71.0015 173.2144 76 H 5.2187 8.5085 118.1371 53.9533 32.6454 173.2127 77 V 4.8647 8.6906 121.5574 61.2407 34.0762 174.2635 78 V 5.0671 8.9950 128.3959 61.3044 34.4916 173.7936 79 M 5.3175 9.0727 127.0619 53.5871 35.2209 174.5538 80 V 4.3287 8.7869 127.2114 63.2870 32.3811 176.4661 81 V 4.6535 9.0980 119.7178 61.1515 33.8618 175.7800 82 R 4.4489 8.0042 121.0521 56.1606 33.3923 175.7705 83 G 3.7632 8.8942 114.1570 45.3410 0.0000 171.6633 84 H 5.2474 8.6326 114.9542 54.0090 32.8719 172.8118 85 A 5.3316 9.1471 122.6249 50.2539 23.1845 174.6772 86 E 5.1915 8.9643 118.8786 54.4618 33.1166 175.3445 87 V 4.7890 8.7926 124.8118 59.8123 34.2944 174.9818 88 V 4.3842 8.7991 125.3188 62.4372 33.0311 174.6648 89 L 4.9496 8.8142 128.1271 53.7689 43.8618 179.3588 90 D 4.4466 9.5954 128.2964 55.6380 40.6652 174.7892 91 D 4.7515 9.3327 124.5307 54.1464 40.1738 176.1198 92 R 4.7465 7.8440 118.8117 54.5720 33.6921 174.7920 93 V 4.7251 8.3669 121.6151 61.2371 33.8343 174.3869 94 E 4.8036 9.2040 128.3400 53.5796 32.1994 173.9231 95 P 4.9283 0.0000 0.0000 62.9602 32.3524 175.8121 96 L 5.2295 9.3416 121.8027 53.4653 46.2726 175.4634 97 T 4.9692 9.0091 111.2283 59.0646 72.8520 171.3327 98 P 4.7826 0.0000 0.0000 62.2041 32.0769 177.0891 99 L 5.5515 8.2922 124.0307 53.0925 42.4211 176.9236 100 D 4.7636 8.3268 118.8330 55.3106 42.3165 176.3132 101 C 5.4339 9.6786 123.1704 57.7191 34.5265 172.5150 102 V 4.8150 9.0107 125.0018 61.3106 34.5276 173.3275 103 Y 5.0175 9.2868 130.0090 56.5584 40.4712 174.2262 104 I 4.2754 8.3237 129.0394 59.4992 38.4566 175.6977 105 A 3.9462 8.1553 129.7209 50.2217 19.9261 174.8929 106 P 3.9890 0.0000 0.0000 64.5803 31.6505 176.8484 107 H 3.8409 8.7617 118.5920 55.8983 26.9084 174.6140 108 A 4.4187 7.2494 122.2205 51.0917 19.1155 178.2169 109 W 4.6132 9.0614 123.3293 57.2534 30.3536 175.1458 110 H 6.0100 9.2033 119.1401 53.7329 32.0655 172.1048 111 Q 4.7808 8.5043 119.5073 55.2188 32.6659 172.6062 112 I 4.8925 8.9682 127.0260 59.8164 40.2679 174.1693 113 H 5.3550 9.0202 122.8051 53.8582 32.3351 172.8704 114 A 4.7439 9.1713 125.9386 51.7297 19.1865 176.4846 115 T 4.7536 8.4690 112.9753 61.1852 71.2832 175.1983 116 G 4.0061 8.9077 109.4666 45.1147 0.0000 173.9144 117 A 4.1474 8.5408 124.3290 54.6906 18.5767 178.6358 118 N 4.9251 7.8687 108.5037 52.5171 40.9795 174.3406 119 E 4.2623 8.1682 119.4580 54.5766 30.1477 174.2280 120 P 4.6227 0.0000 0.0000 62.6065 32.6829 175.4248 121 L 4.6680 9.0106 125.0672 54.3516 43.6009 175.6104 122 G 4.6539 9.5551 113.6059 43.3230 0.0000 171.5902 123 F 5.6099 8.1527 118.6619 55.0227 41.9676 173.3527 124 L 4.8805 9.4815 124.1168 55.1642 43.5989 175.0064 125 C 5.4132 9.7750 126.1200 57.8867 34.8676 172.3047 126 I 5.1940 9.0780 127.5237 59.8193 39.5314 175.2793 127 V 4.9356 8.7218 118.6791 59.2143 36.3687 174.7052 128 D 4.8877 8.7800 122.1886 55.1165 40.7255 177.1817 129 S 4.2149 9.1141 119.6402 61.0956 63.6681 174.0919 130 D 4.6483 8.0430 119.8243 52.9483 40.8149 175.1759 131 R 4.6070 7.9777 121.8634 54.8195 32.0889 174.3192 132 D 4.7279 8.3335 119.1934 52.2286 41.0079 175.9941 133 R 4.2821 8.1488 118.4146 54.9221 30.8866 175.1096 134 P 4.6366 0.0000 0.0000 63.0128 32.3631 175.2927 135 Q 4.7096 9.2001 124.9642 54.4898 31.3270 175.0462 136 R 5.0518 8.6635 125.0616 54.5061 31.8257 174.5037 137 P 4.5976 0.0000 0.0000 62.6638 32.3846 176.2453 138 D 4.8287 8.6486 120.7344 51.8047 43.0283 176.8473 139 A 3.9494 8.4279 119.7427 55.8232 18.2250 179.5177 140 D 4.2827 8.1006 116.7353 57.4848 41.0238 178.5365 141 D 4.3288 8.4495 119.4750 57.2073 40.7735 178.8673 142 L 3.6985 7.8292 119.2193 57.6446 41.4148 179.3267 143 A 3.9303 7.7830 119.5111 55.0511 18.3991 179.3783 144 R 3.9573 7.8067 116.9607 59.7856 30.4303 178.5791 145 M 4.1303 7.9652 116.1140 57.6049 31.1757 177.1461 146 C 4.3823 7.7691 115.9433 60.0645 28.4229 174.8149 147 A 4.2148 7.5572 124.3771 53.5258 18.1993 177.4665 148 D 4.5764 7.3655 117.1701 52.6486 41.7781 175.3869 149 P 4.2461 0.0000 0.0000 65.2410 31.3979 178.6415 150 A 3.8952 7.8412 119.4315 55.1342 18.3953 179.4546 151 V 3.4698 7.6639 116.6535 66.2467 31.3344 177.9744 152 A 3.9053 7.8231 119.0482 55.3628 18.2450 179.5410 153 R 3.9846 7.6227 115.1309 58.8321 30.2013 178.9216 154 R 3.9063 7.4980 117.7886 58.0525 30.6715 177.0850 155 I 3.9453 7.1808 111.0827 61.1513 37.9274 175.3241 156 R 4.3344 8.7183 121.3867 54.4633 32.5582 175.1548 157 T 4.6906 8.0591 111.8417 59.4507 71.8316 173.4182 158 E 4.2033 8.5464 121.7941 57.0458 30.5415 177.3152 159 G 4.0787 8.6525 109.2184 46.0382 0.0000 173.4624 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 6 H 8.44 4.79 0.00 3.30 3.39 0.00 5.49 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 7 E 8.57 4.01 0.00 2.21 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 0.00 2.36 2.44 0.00 8 A 9.08 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 9 S 8.63 4.43 0.00 3.75 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 10 R 9.09 4.73 0.00 1.86 1.85 0.00 3.31 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 11 V 8.55 4.64 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 0.83 0.00 0.00 0.95 0.00 0.00 12 L 9.35 4.74 0.00 1.81 1.92 0.93 1.13 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 13 R 9.43 4.65 0.00 1.84 1.80 0.00 3.06 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 14 E 8.83 4.64 0.00 1.16 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 1.47 1.47 0.00 15 R 8.26 4.23 0.00 1.67 1.56 0.00 3.23 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.47 0.00 16 D 9.28 4.34 0.00 2.76 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 17 Y 8.13 3.18 0.00 3.13 3.16 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 0.00 0.00 0.00 0.00 18 R 7.49 4.75 0.00 1.93 1.82 0.00 3.11 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 19 W 9.02 4.98 0.00 3.41 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 20 E 8.84 4.09 0.00 2.09 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 2.36 2.47 0.00 21 G 9.37 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 0.00 0.00 0.00 22 T 7.27 4.74 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 23 E 8.39 4.74 0.00 1.96 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 2.22 2.24 0.00 24 E 8.68 4.31 0.00 2.00 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 2.40 2.40 0.00 25 E 8.72 4.43 0.00 1.91 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 2.20 2.26 0.00 *35 S 7.95 4.24 0.00 3.24 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 36 G 7.68 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 0.00 0.00 0.00 37 A 8.38 5.02 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 38 R 9.09 4.36 0.00 1.68 1.86 0.00 3.27 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 39 R 8.45 4.33 0.00 1.47 1.61 0.00 3.00 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 40 Q 8.81 4.53 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 41 T 8.44 4.36 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 1.19 0.00 0.00 42 L 8.83 4.24 0.00 1.63 1.72 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.56 4.41 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 0.99 0.00 0.00 0.94 0.00 0.00 44 G 8.94 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 0.00 0.00 0.00 0.00 45 R 9.33 4.11 0.00 1.94 2.06 0.00 3.11 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 46 P 0.00 4.15 0.00 2.01 2.11 0.00 3.60 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 47 A 7.81 4.02 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 48 G 8.06 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 49 Q 7.74 4.27 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 50 E 8.12 4.14 0.00 1.92 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 2.42 2.22 0.00 51 A 8.12 4.08 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 52 P 0.00 4.25 0.00 1.40 1.04 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 53 A 8.47 4.55 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 54 F 7.34 5.47 0.00 3.12 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 55 E 9.61 4.93 0.00 1.91 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 2.17 2.22 0.00 56 T 9.07 5.15 4.35 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 1.33 0.00 0.00 57 R 9.17 5.07 0.00 1.90 1.41 0.00 3.16 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 58 Y 8.89 5.10 0.00 2.93 2.67 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 59 F 8.07 4.58 0.00 1.51 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 60 E 8.91 4.83 0.00 1.93 1.74 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 2.22 2.41 0.00 61 V 8.93 4.71 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 1.05 0.00 0.00 1.10 0.00 0.00 62 E 8.81 4.45 0.00 1.97 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 2.42 2.35 0.00 63 P 0.00 4.36 0.00 2.06 2.31 0.00 3.71 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 2.06 2.24 0.00 64 G 9.08 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 0.00 0.00 0.00 65 G 8.21 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 0.00 0.00 0.00 66 Y 7.96 5.48 0.00 2.88 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 67 T 8.52 4.24 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 1.24 0.00 0.00 68 T 8.26 4.18 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 1.27 0.00 0.00 69 L 8.56 4.50 0.00 1.63 1.58 0.97 0.73 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 70 E 8.82 5.34 0.00 2.18 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 2.26 2.06 0.00 71 R 8.50 4.88 0.00 1.33 0.87 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.01 0.00 72 H 7.72 4.69 0.00 3.40 3.34 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 9.76 3.47 0.00 1.86 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 0.00 2.26 2.23 0.00 74 H 8.24 4.62 0.00 3.17 3.25 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.35 4.52 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 1.26 0.00 0.00 76 H 8.51 5.22 0.00 3.00 3.16 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.69 4.86 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 1.05 0.00 0.00 1.05 0.00 0.00 78 V 9.00 5.07 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 0.75 0.00 0.00 0.88 0.00 0.00 79 M 9.07 5.32 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.64 0.00 80 V 8.79 4.33 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 1.04 0.00 0.00 0.95 0.00 0.00 81 V 9.10 4.65 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 0.94 0.00 0.00 1.28 0.00 0.00 82 R 8.00 4.45 0.00 2.00 1.98 0.00 3.39 0.00 0.00 3.48 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 83 G 8.89 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 0.00 0.00 0.00 84 H 8.63 5.25 0.00 3.29 3.18 0.00 5.56 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 9.15 5.33 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.96 5.19 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 87 V 8.79 4.79 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 0.87 0.00 0.00 0.91 0.00 0.00 88 V 8.80 4.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.94 0.00 0.00 89 L 8.81 4.95 0.00 1.58 1.54 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.60 4.45 0.00 2.80 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 9.33 4.75 0.00 2.77 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.84 4.75 0.00 1.76 1.83 0.00 3.23 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 93 V 8.37 4.73 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 0.79 0.00 0.00 0.92 0.00 0.00 94 E 9.20 4.80 0.00 1.84 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 95 P 0.00 4.93 0.00 2.08 2.05 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 96 L 9.34 5.23 0.00 1.50 1.53 0.86 0.57 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 97 T 9.01 4.97 4.15 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 1.20 0.00 0.00 98 P 0.00 4.78 0.00 1.95 2.15 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 99 L 8.29 5.55 0.00 1.55 1.95 1.10 1.13 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 0.00 100 D 8.33 4.76 0.00 2.67 2.67 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 0.00 101 C 9.68 5.43 0.00 3.05 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 0.00 102 V 9.01 4.82 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 0.93 0.00 0.00 0.93 0.00 0.00 103 Y 9.29 5.02 0.00 3.03 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 0.00 104 I 8.32 4.28 1.67 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 1.02 0.88 0.62 0.00 0.00 105 A 8.16 3.95 1.18 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 0.00 0.00 106 P 0.00 3.99 0.00 2.03 2.02 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 107 H 8.76 3.84 0.00 3.14 3.21 0.00 5.65 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 0.00 108 A 7.25 4.42 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 0.00 109 W 9.06 4.61 0.00 3.32 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 0.00 110 H 9.20 6.01 0.00 3.09 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.50 4.78 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.56 0.00 112 I 8.97 4.89 1.66 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 0.98 0.36 0.60 0.00 0.00 113 H 9.02 5.36 0.00 3.16 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 9.17 4.74 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 0.00 115 T 8.47 4.75 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 1.24 0.00 0.00 116 G 8.91 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 0.00 117 A 8.54 4.15 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 0.00 118 N 7.87 4.93 0.00 2.67 2.83 0.00 0.00 6.83 7.66 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 0.00 119 E 8.17 4.26 0.00 1.95 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 2.33 2.44 0.00 120 P 0.00 4.62 0.00 2.05 2.02 0.00 3.77 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 2.08 2.12 0.00 121 L 9.01 4.67 0.00 1.98 1.77 1.08 1.26 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 0.00 122 G 9.56 4.65 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 0.00 123 F 8.15 5.61 0.00 3.27 3.10 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 0.00 124 L 9.48 4.88 0.00 1.94 1.74 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 125 C 9.77 5.41 0.00 3.36 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 0.00 126 I 9.08 5.19 1.91 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 1.31 0.95 1.02 0.00 0.00 127 V 8.72 4.94 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 0.83 0.00 0.00 1.02 0.00 0.00 128 D 8.78 4.89 0.00 2.57 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 0.00 129 S 9.11 4.21 0.00 3.71 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 0.00 130 D 8.04 4.65 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 7.98 4.61 0.00 1.62 1.80 0.00 2.57 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 132 D 8.33 4.73 0.00 2.83 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 0.00 133 R 8.15 4.28 0.00 1.85 1.92 0.00 3.40 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 134 P 0.00 4.64 0.00 2.00 2.23 0.00 3.68 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 2.09 2.17 0.00 135 Q 9.20 4.71 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 136 R 8.66 5.05 0.00 1.81 1.91 0.00 3.49 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 137 P 0.00 4.60 0.00 1.79 0.97 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 138 D 8.65 4.83 0.00 2.97 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 0.00 139 A 8.43 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 0.00 140 D 8.10 4.28 0.00 2.84 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 0.00 141 D 8.45 4.33 0.00 2.58 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 0.00 142 L 7.83 3.70 0.00 1.72 1.57 0.81 0.23 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 0.00 143 A 7.78 3.93 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 0.00 144 R 7.81 3.96 0.00 2.13 2.02 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 145 M 7.97 4.13 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 146 C 7.77 4.38 0.00 2.98 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 0.00 147 A 7.56 4.21 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 0.00 148 D 7.37 4.58 0.00 2.85 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 0.00 149 P 0.00 4.25 0.00 2.17 2.06 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 150 A 7.84 3.90 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.66 3.47 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 1.05 0.00 0.00 0.99 0.00 0.00 152 A 7.82 3.91 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 0.00 153 R 7.62 3.98 0.00 2.00 1.95 0.00 3.13 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 154 R 7.50 3.91 0.00 1.80 1.97 0.00 3.31 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 155 I 7.18 3.95 1.75 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 1.41 0.59 0.82 0.00 0.00 156 R 8.72 4.33 0.00 0.67 0.81 0.00 3.01 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 0.00 157 T 8.06 4.69 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 1.11 0.00 0.00 158 E 8.55 4.20 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 2.39 2.30 0.00 159 G 8.65 4.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.