NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5542 8.4201 119.2066 53.4494 40.8644 174.1792 0 A 4.3105 7.7615 119.0487 50.9592 20.2508 173.2212 1 E 4.5872 9.4309 119.0593 55.6571 33.9451 172.5448 2 R 5.2499 8.5412 126.1229 54.6214 32.2455 175.3585 3 R 4.5989 8.5736 122.4750 55.0864 34.3159 173.2105 4 L 4.8427 8.4414 126.4584 54.8828 42.8814 175.5527 5 C 5.0429 9.1834 122.8092 58.0468 33.3303 172.5919 6 A 5.0815 8.5753 122.5116 50.7458 20.8986 176.1943 7 I 4.9208 8.8615 123.1649 59.3441 40.6761 174.2236 8 L 5.2475 9.1034 129.2391 53.2929 44.2092 174.7133 9 A 5.2713 9.1292 128.1119 50.2094 21.9375 174.9584 10 A 5.1969 8.4338 121.7474 49.5606 22.6243 172.9433 11 D 5.0897 9.3577 121.4747 53.9248 43.6001 177.6566 13 A 4.8475 8.8056 115.5959 51.2643 21.1476 176.7051 14 G 3.6954 8.5586 106.8152 46.4924 0.0000 172.5914 15 Y 3.5344 8.0889 111.5699 58.7518 35.6373 170.7141 16 S 4.0743 7.1291 110.2145 58.8658 63.0969 174.1868 17 R 4.3264 8.4761 124.2084 56.8634 30.6482 176.9220 18 L 4.2340 7.5492 119.8111 54.6621 40.6658 177.4685 *20 E 4.2301 7.9005 114.4796 55.6893 31.4776 176.7137 21 R 4.0256 7.8151 119.1151 55.7675 30.7074 175.4597 22 N 4.4364 8.5123 119.9544 53.5429 39.2872 174.5650 23 E 4.1152 9.2366 126.2477 60.3756 29.9971 179.7718 24 T 3.7264 7.7899 114.8941 66.6687 68.7180 174.9846 25 D 4.3168 8.3730 120.1253 57.5571 41.2563 178.6880 26 V 3.4711 7.6603 118.9485 64.6529 31.1733 177.7473 27 L 3.9060 7.8330 119.6350 57.8772 41.4246 179.3091 28 N 4.2975 7.8789 116.0090 56.4349 38.4458 177.7752 29 R 3.8825 7.6698 118.5053 59.1026 30.1279 179.0785 30 Q 4.2326 8.1073 117.6657 59.2452 28.7833 178.3723 31 K 3.9360 8.3469 121.8131 58.8758 32.0534 178.5874 32 L 4.0179 7.5783 120.4470 58.2432 42.1321 178.2632 33 Y 4.3614 7.7876 116.6976 61.1381 37.8034 178.5845 34 R 3.9198 8.6322 120.2775 59.2635 29.9696 178.2658 35 R 4.4003 7.4942 112.2733 57.6306 30.2115 177.7271 36 E 4.2850 8.5300 118.7798 57.5883 30.1737 177.1174 37 L 4.4926 7.5735 118.5049 57.3815 43.2525 178.0999 38 I 3.7877 8.1594 120.2017 64.2356 37.0459 177.8837 39 D 4.4051 8.8618 119.8371 57.3858 40.7751 177.7052 40 P 4.2792 0.0000 0.0000 65.0752 31.4529 178.3612 41 A 3.9687 7.7436 119.8534 55.4403 18.3539 179.6454 42 I 3.8224 7.8018 118.0045 64.6693 37.0059 178.5264 43 A 4.0434 7.7850 121.2404 54.9032 18.0995 179.4682 44 Q 3.9568 8.6088 117.5986 58.6520 29.1899 177.2279 45 A 4.5290 7.8158 119.4387 51.5356 19.1188 177.9325 46 G 3.8303 7.8027 106.1135 45.5036 0.0000 174.2229 47 G 3.0952 7.6967 107.0436 45.4798 0.0000 173.4879 48 Q 4.5009 8.2517 118.0427 53.5951 32.6306 175.2893 49 I 3.8292 8.3555 125.4396 61.9153 37.1111 176.0923 50 V 3.9052 8.7680 128.6833 64.5101 31.9229 176.0248 51 K 4.2865 7.2047 115.0527 56.8143 34.3064 173.7742 52 T 4.8990 8.3434 115.7081 62.2355 72.1240 173.8739 53 T 4.5648 9.0606 113.9765 60.7651 71.3735 174.3280 54 G 3.6765 8.7585 109.0636 48.5231 0.0000 174.0508 55 D 4.6732 8.0341 118.2221 53.7073 43.3032 175.9828 56 G 3.9715 8.3620 107.6200 44.7441 0.0000 175.6875 *58 L 4.6368 9.1663 119.9447 54.5369 44.0128 176.3165 59 A 5.2113 8.8836 123.8522 50.0127 23.1102 174.8582 60 R 5.1106 8.5377 115.1209 54.4406 33.0955 174.5368 61 F 5.1724 9.1241 118.9948 55.8716 42.6051 176.0410 62 D 4.5797 9.0058 119.9820 56.2698 41.4829 177.4831 63 T 4.7280 7.5893 108.5895 58.8030 73.1886 174.5032 64 A 3.9116 8.4224 124.5169 55.5195 18.5024 180.0529 65 Q 3.8142 7.9725 117.3621 58.9703 29.1325 178.1186 66 A 3.8412 7.8703 121.5459 54.9414 18.4472 179.3554 67 A 2.0000 7.2441 118.7398 54.7115 18.2719 179.7048 68 L 3.7791 7.5761 118.7161 58.1071 42.1120 179.2953 69 R 3.7633 8.1506 118.6102 59.1765 29.8721 178.6451 70 C 3.9895 7.9548 118.2021 62.3231 31.5944 175.1350 71 A 3.9202 7.7842 122.4091 55.3634 17.8619 179.5032 72 L 3.3869 7.8763 117.4186 57.7221 41.6258 179.4353 73 E 3.8568 8.1168 119.0367 59.2727 29.3686 178.7787 74 I 3.6333 7.6350 118.5610 64.7612 37.3273 178.2514 75 Q 4.2514 8.2422 117.6860 58.9477 28.6347 178.8076 76 Q 4.3238 8.4045 119.1194 58.6955 28.8498 179.4509 77 A 3.9625 7.8082 120.9724 52.5337 18.9494 179.0440 *79 Q 4.2340 8.1258 123.9202 57.9106 31.3343 177.4529 80 Q 4.0934 7.8920 116.7401 59.0771 28.8865 178.5666 81 R 4.1136 8.4291 115.4587 58.5125 30.2956 177.2389 82 E 4.6865 7.7454 114.6997 55.8321 30.6491 177.4337 83 E 4.2034 7.9882 117.1353 58.5560 29.9678 178.0340 84 D 4.5234 8.0993 119.4149 56.9307 41.3999 177.2215 85 T 4.1810 7.2430 106.4104 60.4616 69.7398 172.5780 86 P 4.4358 0.0000 0.0000 62.3463 32.0879 177.7376 87 R 3.9163 8.7230 120.9228 59.4389 30.1354 178.1219 88 K 4.0168 7.9914 117.5839 58.3552 32.4427 176.7876 89 E 4.6571 7.8982 114.7886 55.2768 29.6718 176.2863 90 R 4.5827 7.7722 117.7711 56.2701 31.2197 175.5552 91 I 4.5676 8.6353 120.9867 59.9381 39.2700 175.5590 92 Q 4.5345 7.9939 121.5236 54.7027 33.4523 173.2024 93 Y 5.1987 8.5733 118.8464 56.6046 41.2757 174.6593 94 R 5.0578 8.9405 120.9539 54.7492 33.1060 175.3981 95 I 5.2025 8.3376 122.1466 59.5598 41.3092 174.6608 96 G 5.1069 9.2056 112.9421 45.4387 0.0000 171.8293 97 I 5.3084 8.2272 121.7054 59.4582 41.4000 173.8732 98 N 5.4676 9.1657 124.1657 51.9712 43.1157 172.6420 99 I 5.0501 8.1765 121.1279 59.4011 41.1685 175.1317 100 G 3.9060 8.0068 110.7360 46.3037 0.0000 171.8174 101 D 5.2208 8.8679 120.3766 53.8317 40.8561 176.5890 102 I 4.5362 8.6272 118.0864 59.3210 41.1067 174.3534 103 V 4.8291 8.7930 122.5436 61.2537 33.5925 174.1054 104 L 4.9851 9.3785 129.1419 53.1369 43.8087 175.4929 105 E 4.4681 9.1015 125.4302 55.4165 32.9459 174.7038 106 D 4.3094 9.3256 128.8323 55.6331 37.7190 174.8715 107 G 3.8492 8.2386 103.7240 45.7170 0.0000 172.1481 108 D 4.7520 7.5341 118.6349 51.8002 44.2066 174.2035 109 I 4.7099 7.4181 121.3063 58.8610 40.7237 174.5384 110 F 4.9702 9.5651 125.5862 55.7087 42.5340 174.0370 111 G 4.6543 8.8873 109.2595 43.1196 0.0000 174.2885 112 D 4.3774 8.7025 119.8835 57.2845 40.7884 178.9934 113 A 3.9976 8.0670 120.7343 54.9359 18.3040 179.7819 114 V 3.5492 7.7474 116.7225 66.3491 31.6375 178.0875 115 N 4.3915 8.0385 115.8195 56.2123 38.4426 177.3462 116 V 3.6002 8.1572 119.7564 66.0505 31.6758 178.0136 117 A 4.0550 8.0144 120.1314 54.9861 18.2102 179.5039 118 A 3.9942 7.9955 119.5267 55.2256 18.4910 179.8342 119 R 3.8872 8.2312 117.3609 59.5992 29.9352 178.8063 120 L 4.0630 7.8059 117.9548 57.5709 41.7764 178.8310 121 E 4.1519 8.2371 118.9449 59.2437 29.4256 178.4840 122 A 4.0571 7.8599 119.7630 54.8683 18.5437 178.7559 123 I 4.1842 7.3581 107.6781 60.2362 38.4918 176.0482 124 S 4.4234 7.1134 115.3298 57.8305 63.2769 173.5089 125 E 4.1719 8.4747 124.2758 55.2510 29.9591 174.9205 126 P 4.4407 0.0000 0.0000 64.4422 31.6031 177.0179 127 G 3.8913 9.7100 112.1894 45.1901 0.0000 172.2437 128 A 5.0297 7.8798 121.9022 50.1545 22.7744 175.2950 129 I 5.0260 8.7635 116.9558 60.2304 41.4373 174.6831 130 C 5.4930 9.4290 125.0094 58.2123 30.7161 173.5342 131 V 5.1771 9.1619 116.6709 59.3461 35.5302 175.6006 132 S 4.8712 8.4493 116.6380 57.5486 64.4002 174.8069 133 D 4.6376 8.8306 120.7738 57.9160 40.6811 178.6126 134 I 3.6652 7.8943 119.5809 64.7260 37.2612 178.4142 135 V 3.5502 7.4469 117.3562 65.9728 31.2055 177.6063 136 H 3.7631 8.1884 118.3411 59.2311 29.4261 177.3756 137 Q 3.8745 8.0844 118.9284 58.4680 28.5642 178.0784 138 I 3.9535 7.3069 119.9567 62.8532 37.5193 177.1458 139 T 4.3481 7.1434 109.0321 62.3123 69.8012 177.0879 140 Q 3.5971 7.4516 121.0330 58.8652 28.5683 178.2089 141 D 4.7555 7.8129 113.4892 54.1435 41.1596 176.9718 142 R 4.4403 8.0984 117.5788 55.4491 31.5292 175.7338 143 V 4.2798 7.4168 117.5452 60.6599 33.1770 175.9482 144 S 4.3291 8.7020 122.7593 60.5331 63.4092 174.7901 145 E 4.1514 7.4056 122.2739 55.8058 29.5819 174.7486 146 P 4.7682 0.0000 0.0000 62.8245 32.2985 175.5208 147 F 5.2191 9.1538 120.5086 56.1564 42.6241 174.4719 148 T 4.8207 9.0342 117.8142 61.5718 71.1940 173.2907 149 D 3.3700 8.7631 126.1368 54.0780 41.3576 175.2255 150 L 4.2111 8.5054 128.1891 54.7684 42.9770 176.4723 151 G 3.7637 8.6858 105.2892 44.8733 0.0000 172.4483 152 L 4.8626 7.7694 117.6450 53.9645 43.5069 176.9410 153 Q 4.3419 8.6435 122.1144 54.1710 32.2736 173.9414 154 K 4.2965 8.8345 128.9736 56.5540 32.9708 176.0618 155 V 4.2191 8.3084 127.2992 60.6100 33.0338 174.8026 156 K 3.9884 8.5937 127.5071 58.2809 32.2850 176.0273 157 N 4.2785 9.0031 121.0813 53.6311 36.3966 173.6733 158 I 4.6083 7.5155 111.0440 59.5026 40.3057 175.5502 159 T 4.2427 8.4298 117.6401 65.5570 69.3519 175.8719 160 R 4.2019 7.7766 119.8552 54.7507 30.6328 174.5162 161 P 4.5300 0.0000 0.0000 63.4309 32.3083 175.5193 162 I 4.5319 8.2432 122.7976 59.5543 40.0023 174.9925 163 R 4.6061 8.5325 126.3767 56.0611 31.6509 174.9110 164 V 4.9107 8.3392 125.5617 60.9157 34.5166 174.0119 165 W 5.2236 9.4551 127.4793 54.9759 32.0822 174.5562 166 Q 5.3409 9.4321 124.7332 54.1689 31.9569 173.4784 167 W 4.6701 9.2634 135.0000 55.4113 32.9663 174.4926 168 V 4.1987 7.2411 125.9875 59.9097 33.7164 173.1554 169 P 3.7992 0.0000 0.0000 61.9315 32.3172 175.8933 170 D 4.3534 8.3317 119.2260 53.5969 39.6377 176.1516 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 -1 N 8.42 4.55 0.00 2.71 2.93 0.00 0.00 6.99 7.08 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 A 7.76 4.31 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 1 E 9.43 4.59 0.00 1.98 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 2.22 2.29 0.00 2 R 8.54 5.25 0.00 1.72 1.84 0.00 3.31 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 3 R 8.57 4.60 0.00 1.88 1.71 0.00 3.09 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 4 L 8.44 4.84 0.00 1.68 1.57 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 5 C 9.18 5.04 0.00 2.87 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 6 A 8.58 5.08 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 7 I 8.86 4.92 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.80 0.94 0.00 0.00 8 L 9.10 5.25 0.00 1.98 1.74 0.95 0.92 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 9 A 9.13 5.27 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 10 A 8.43 5.20 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 11 D 9.36 5.09 0.00 2.84 1.77 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 13 A 8.81 4.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.56 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 15 Y 8.09 3.53 0.00 3.11 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 16 S 7.13 4.07 0.00 3.83 3.79 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 17 R 8.48 4.33 0.00 1.86 1.97 0.00 3.28 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 18 L 7.55 4.23 0.00 1.64 1.66 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *20 E 7.90 4.23 0.00 1.99 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 2.22 2.31 0.00 21 R 7.82 4.03 0.00 1.80 1.91 0.00 3.32 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 22 N 8.51 4.44 0.00 2.72 2.75 0.00 0.00 7.03 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 23 E 9.24 4.12 0.00 2.04 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 2.29 0.00 24 T 7.79 3.73 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 25 D 8.37 4.32 0.00 2.78 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 26 V 7.66 3.47 1.58 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 0.74 0.00 0.00 0.16 0.00 0.00 27 L 7.83 3.91 0.00 1.88 1.76 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.88 4.30 0.00 2.93 2.83 0.00 0.00 7.09 8.23 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 29 R 7.67 3.88 0.00 1.88 1.97 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 30 Q 8.11 4.23 0.00 2.40 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 31 K 8.35 3.94 0.00 1.97 2.06 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.46 7.81 32 L 7.58 4.02 0.00 1.74 1.46 0.90 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.79 4.36 0.00 3.41 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 34 R 8.63 3.92 0.00 2.04 2.15 0.00 3.10 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 35 R 7.49 4.40 0.00 2.06 2.04 0.00 3.10 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 36 E 8.53 4.29 0.00 2.01 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 2.29 2.28 0.00 37 L 7.57 4.49 0.00 1.92 1.96 0.96 1.09 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 38 I 8.16 3.79 1.91 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.20 0.80 0.00 0.00 39 D 8.86 4.41 0.00 2.77 2.73 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 40 P 0.00 4.28 0.00 2.17 2.09 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 41 A 7.74 3.97 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 42 I 7.80 3.82 2.00 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 1.64 0.61 0.74 0.00 0.00 43 A 7.79 4.04 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 44 Q 8.61 3.96 0.00 2.11 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 45 A 7.82 4.53 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 46 G 7.80 3.83 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 0.00 0.00 0.00 47 G 7.70 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 0.00 0.00 0.00 48 Q 8.25 4.50 0.00 1.80 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.93 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 49 I 8.36 3.83 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.89 0.00 0.00 50 V 8.77 3.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.84 0.00 0.00 51 K 7.20 4.29 0.00 1.81 1.66 0.00 1.54 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.13 1.30 7.81 52 T 8.34 4.90 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 T 9.06 4.56 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 1.21 0.00 0.00 54 G 8.76 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 0.00 0.00 0.00 55 D 8.03 4.67 0.00 2.72 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 56 G 8.36 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 *58 L 9.17 4.64 0.00 1.61 1.62 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.88 5.21 1.12 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 60 R 8.54 5.11 0.00 1.82 1.95 0.00 2.67 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 61 F 9.12 5.17 0.00 2.86 2.95 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 62 D 9.01 4.58 0.00 2.71 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 63 T 7.59 4.73 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 64 A 8.42 3.91 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 65 Q 7.97 3.81 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 66 A 7.87 3.84 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 67 A 7.24 2.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 76 Q 8.40 4.32 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.07 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 77 A 7.81 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *79 Q 8.13 4.23 0.00 2.16 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 80 Q 7.89 4.09 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 81 R 8.43 4.11 0.00 1.84 2.30 0.00 3.48 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 82 E 7.75 4.69 0.00 2.06 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 0.00 2.20 2.49 0.00 83 E 7.99 4.20 0.00 2.12 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 0.00 2.53 2.30 0.00 84 D 8.10 4.52 0.00 2.72 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 85 T 7.24 4.18 4.29 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 1.27 0.00 0.00 86 P 0.00 4.44 0.00 2.20 2.01 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 87 R 8.72 3.92 0.00 1.77 2.00 0.00 3.18 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 88 K 7.99 4.02 0.00 1.64 1.78 0.00 1.48 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 E 7.90 4.66 0.00 2.22 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 2.42 2.29 0.00 90 R 7.77 4.58 0.00 2.03 1.92 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 91 I 8.64 4.57 1.88 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 1.22 0.63 0.65 0.00 0.00 92 Q 7.99 4.53 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 93 Y 8.57 5.20 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.08 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 0.00 111 G 8.89 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 0.00 112 D 8.70 4.38 0.00 2.72 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 0.00 113 A 8.07 4.00 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 0.00 114 V 7.75 3.55 2.38 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 1.03 0.00 0.00 0.94 0.00 0.00 115 N 8.04 4.39 0.00 3.00 2.88 0.00 0.00 6.72 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 0.00 116 V 8.16 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.96 0.00 0.00 117 A 8.01 4.05 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 0.00 118 A 8.00 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 127 G 9.71 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 0.00 128 A 7.88 5.03 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 0.00 129 I 8.76 5.03 2.18 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.11 1.09 0.00 0.00 130 C 9.43 5.49 0.00 3.06 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 0.00 131 V 9.16 5.18 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 0.80 0.00 0.00 0.76 0.00 0.00 132 S 8.45 4.87 0.00 4.08 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 0.00 133 D 8.83 4.64 0.00 3.24 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 0.00 134 I 7.89 3.67 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.90 0.00 0.00 135 V 7.45 3.55 2.18 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 0.87 0.00 0.00 0.91 0.00 0.00 136 H 8.19 3.76 0.00 2.74 2.99 0.00 5.66 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 0.00 137 Q 8.08 3.87 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 138 I 7.31 3.95 1.78 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 1.52 0.61 0.85 0.00 0.00 139 T 7.14 4.35 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 140 Q 7.45 3.60 0.00 1.85 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.15 1.77 0.00 141 D 7.81 4.76 0.00 2.59 2.64 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 0.00 142 R 8.10 4.44 0.00 1.67 1.87 0.00 3.23 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 143 V 7.42 4.28 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 1.08 0.00 0.00 0.86 0.00 0.00 144 S 8.70 4.33 0.00 4.04 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 0.00 145 E 7.41 4.15 0.00 2.04 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 0.00 2.30 2.15 0.00 146 P 0.00 4.77 0.00 2.16 2.14 0.00 4.00 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 147 F 9.15 5.22 0.00 3.02 3.35 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 0.00 148 T 9.03 4.82 4.30 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 1.21 0.00 0.00 149 D 8.76 3.37 0.00 1.58 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 0.00 0.00 0.00 0.00 150 L 8.51 4.21 0.00 1.66 1.53 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.69 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 0.00 152 L 7.77 4.86 0.00 1.51 1.58 0.91 0.74 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 0.00 153 Q 8.64 4.34 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 154 K 8.83 4.30 0.00 1.79 1.72 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.42 1.50 7.81 155 V 8.31 4.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.00 0.00 0.00 156 K 8.59 3.99 0.00 1.76 1.73 0.00 1.98 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 157 N 9.00 4.28 0.00 2.93 2.92 0.00 0.00 6.87 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 0.00 158 I 7.52 4.61 1.89 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 1.31 0.80 0.93 0.00 0.00 159 T 8.43 4.24 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 160 R 7.78 4.20 0.00 1.81 1.88 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 161 P 0.00 4.53 0.00 1.93 2.01 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 162 I 8.24 4.53 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.96 0.00 0.00 163 R 8.53 4.61 0.00 1.86 1.85 0.00 3.28 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.24 0.00 164 V 8.34 4.91 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 1.00 0.00 0.00 0.94 0.00 0.00 165 W 9.46 5.22 0.00 3.15 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 0.00 166 Q 9.43 5.34 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 167 W 9.26 4.67 0.00 1.78 2.33 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 0.00 168 V 7.24 4.20 1.68 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 0.61 0.00 0.00 0.75 0.00 0.00 169 P 0.00 3.80 0.00 2.10 1.93 0.00 3.39 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 170 D 8.33 4.35 0.00 2.72 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 * Residues marked with a * may have inaccurate shift predictions.