NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2307 8.4449 120.2379 56.6260 30.7247 174.9724 3 D 4.6090 8.1305 117.9477 54.1981 42.1284 175.8344 4 F 4.6894 7.9870 120.3094 56.9673 43.4840 172.2936 5 W 5.4861 7.8747 123.8554 54.7430 32.9091 174.8050 6 V 4.6889 8.8579 122.5017 60.0238 33.5759 174.5785 7 Q 4.6356 9.1105 126.3789 55.0199 30.7605 173.4738 8 Y 4.9324 8.6985 128.7611 54.0547 40.3718 176.7510 9 G 3.4847 8.5221 119.0129 46.8636 0.0000 172.5544 10 D 4.5040 8.7093 123.6569 54.3278 41.5628 175.2515 11 E 4.5835 7.9183 119.0063 55.5274 32.1292 174.0137 *13 L 4.6041 8.0804 117.6375 54.6000 43.2817 175.1125 14 P 3.8517 0.0000 0.0000 62.6420 32.0546 175.6603 15 V 4.5693 8.2035 123.1469 61.1814 33.6894 174.7977 16 I 4.4094 8.8037 128.4748 60.5997 40.4526 174.4443 17 G 3.6737 8.7317 110.3737 44.6027 0.0000 172.3128 18 D 4.6882 8.2700 118.9065 52.3342 41.2013 176.3349 19 F 4.6985 8.4695 126.7810 56.0001 40.1159 173.4313 20 P 4.1502 0.0000 0.0000 62.8904 31.8411 175.6628 21 R 4.4474 8.5011 120.1273 53.2984 33.1111 175.2958 22 K 4.0075 8.2583 119.8841 58.6170 32.2497 176.3963 23 G 3.9424 8.8908 114.8132 45.3695 0.0000 173.7175 24 D 4.5353 7.6454 119.3611 54.3801 41.9927 175.6465 25 Y 4.4967 8.4894 119.2957 57.3149 38.9716 175.5637 26 L 3.9731 8.6938 123.8986 54.4959 42.2284 175.8666 27 P 4.3410 0.0000 0.0000 62.1526 31.9748 176.5525 28 S 4.3541 8.4724 116.2946 58.6795 64.1970 174.0936 29 F 4.6765 7.5611 117.5223 56.0561 39.0236 172.2042 *31 L 4.3946 8.2162 118.7658 54.8801 43.9090 175.4922 32 V 4.8906 7.9892 118.0679 61.4809 34.5903 175.4618 33 D 5.3590 9.3676 128.3619 51.6847 41.2502 176.7922 34 D 4.5487 8.8245 117.0694 55.4708 39.5109 176.7968 35 Q 4.4102 8.1987 117.9196 55.6284 28.8600 175.9164 36 K 3.9560 8.2383 115.6727 57.2563 30.1731 175.6406 37 H 4.7085 8.4646 117.0004 54.4664 29.8170 174.5531 38 D 4.9955 8.6469 122.6275 54.9135 41.4706 175.8307 39 A 4.7255 9.1459 123.8098 50.3048 21.8095 175.0962 40 A 5.1620 8.7408 123.4529 48.7534 22.7510 176.9852 41 L 3.7814 7.8793 118.0839 58.1921 41.6261 179.8989 42 E 4.0620 7.8932 115.5706 58.3412 29.5143 178.1243 43 S 3.9742 7.8288 114.7910 60.2659 63.3346 174.5075 44 F 4.9262 7.6633 118.8570 55.8195 38.4790 175.0452 45 S 4.4224 7.6966 115.6205 58.6978 64.6821 174.0713 46 H 4.1495 8.5527 116.0237 56.6696 26.1511 174.7246 47 T 4.8614 7.5088 111.6437 59.9027 71.0995 171.2522 48 P 4.7213 0.0000 0.0000 63.0464 33.0442 174.9280 49 K 5.1638 9.2171 119.0584 55.6165 36.6163 174.5860 50 L 5.0138 9.0920 124.3226 53.6296 44.4904 174.9264 51 I 4.7747 8.7850 128.5004 59.8658 39.2884 175.1001 52 V 4.9347 8.8768 127.0895 61.2297 34.7569 174.1764 53 T 5.3852 8.7015 118.0714 60.0615 70.6427 173.7811 54 L 5.1901 8.2910 123.0422 52.9099 45.5493 176.7638 55 L 4.3308 8.7777 120.7556 57.5727 42.0541 178.0128 56 S 4.7573 7.6945 109.5312 57.4307 64.8781 176.4568 57 V 3.8182 8.9749 119.9813 63.7321 31.3547 176.8351 58 D 4.7863 8.3328 118.6344 54.0700 41.3637 176.5140 59 E 4.3781 7.9585 119.9177 55.8491 30.1290 174.9682 60 D 4.8088 7.9587 117.8227 54.5760 41.3282 177.9967 61 E 4.0361 8.1800 119.9807 58.1951 30.6627 176.3213 62 H 4.8025 8.0795 116.1731 55.7235 27.9404 174.1643 63 A 3.9275 8.6745 127.3655 52.7587 17.4933 175.2907 64 G 4.0807 6.9768 120.3189 42.9867 0.0000 173.9382 65 L 3.9644 9.3378 124.5906 57.7567 41.7922 178.7278 66 L 4.0188 7.7748 119.3994 57.6911 41.5177 179.2106 67 L 3.8868 7.9483 119.8718 57.8612 42.0526 178.4821 68 L 4.0081 8.1825 120.4973 58.4088 42.0004 179.3079 69 R 3.9138 8.3239 118.2707 59.0295 29.9095 178.6644 70 E 3.6995 8.1401 119.2693 59.3599 29.5327 178.9834 71 T 3.7764 8.0693 115.9659 66.6952 68.3540 176.5975 72 R 3.9290 7.9885 119.4891 59.2734 30.4983 178.1826 73 R 3.9654 8.1394 118.6934 59.3955 29.6193 178.0537 74 F 4.0497 8.1287 120.4770 61.4881 39.3038 176.8833 75 L 4.2375 8.0043 117.4321 56.7409 41.2320 178.5430 76 D 4.4356 7.5458 117.4903 57.2014 41.1533 177.5652 77 S 4.0845 7.1771 111.8646 58.2177 64.3869 174.6246 78 W 4.8639 7.9410 122.7276 53.6321 29.0634 174.0414 79 P 4.3017 0.0000 0.0000 65.2663 31.2331 178.0461 80 H 4.5598 8.0630 114.1142 56.4264 29.1952 174.6414 81 L 4.6520 7.7911 120.7863 53.3397 42.3329 176.3049 82 K 4.2527 8.7889 126.9701 55.7338 33.7929 175.3428 83 L 4.7959 8.5623 129.7811 54.5219 43.6417 175.0243 84 I 4.7275 8.7554 127.7926 59.5789 40.0232 174.5609 85 V 4.7416 8.9136 128.2881 61.2535 33.7384 174.5256 86 I 4.9805 8.6738 128.7072 59.7498 40.6016 174.7792 87 T 4.9483 8.3922 115.4937 60.8435 72.5510 174.5291 88 V 4.0375 8.1966 112.3166 60.8975 31.9378 176.7575 89 D 4.4561 7.8248 120.8852 54.1156 41.3902 177.2753 90 S 4.2989 8.3518 117.0055 57.7763 65.0768 173.5206 91 P 4.2042 0.0000 0.0000 66.0839 31.0566 179.1331 92 S 4.1226 7.9943 113.2666 61.8020 62.7488 176.8283 93 S 4.1609 8.2177 117.7891 61.4635 62.5384 176.6610 94 L 3.9789 8.1782 121.6397 57.8015 41.2077 179.4561 95 A 4.1597 8.1926 120.7294 55.1355 18.2816 179.7260 96 R 3.8471 8.1269 117.0712 59.4567 30.1730 178.4800 97 A 4.0090 8.3664 121.0446 55.1403 18.3288 179.4987 98 R 3.8414 8.0037 117.1463 59.8488 30.2110 178.3344 99 H 4.1429 7.9614 117.8865 59.2943 29.7329 176.7908 100 E 3.8285 8.3785 120.1448 58.9535 29.5640 177.5509 101 H 4.9046 8.4166 113.0771 53.9321 30.7512 174.6445 102 G 3.8799 7.4814 109.5895 46.3581 0.0000 174.3445 103 L 4.8663 8.1011 123.7265 53.0290 42.3568 176.3582 104 P 4.1136 0.0000 0.0000 65.0661 32.0427 177.8804 105 N 4.8068 7.9178 113.5545 53.2493 39.9221 175.1426 106 I 4.0213 7.0514 118.8018 61.0742 38.2318 175.6444 107 A 4.3704 8.7733 127.9776 51.5774 19.7299 176.2879 108 L 5.0470 8.6284 122.8528 53.0811 44.3123 175.5640 109 L 4.9469 9.0021 124.2356 52.8212 45.6325 175.5161 110 S 5.6544 9.2059 117.3481 55.8886 64.8807 174.0359 111 T 4.4154 8.1716 115.5640 61.5826 69.3054 176.2659 112 L 3.9128 7.8277 124.6877 59.4264 40.2754 178.7397 113 R 3.9846 7.8297 113.8136 57.8378 29.8334 176.9430 *115 R 4.1903 7.8470 117.0188 55.7933 31.9648 177.3020 116 D 4.4057 8.2723 121.3782 56.5449 39.4279 177.4821 117 F 4.2427 8.4564 121.7343 61.4699 39.2451 176.6318 118 H 4.0702 8.3975 115.0800 58.8575 28.6199 177.6174 119 K 3.9507 7.9414 120.8802 59.5988 31.8736 179.1488 120 R 3.9982 7.8135 116.6272 58.4912 29.7732 177.5435 121 Y 4.1940 7.7969 114.9184 56.3431 38.1578 175.8689 122 G 3.7376 7.9969 107.8550 47.3557 0.0000 174.7157 123 V 4.4120 7.8543 109.7331 60.4239 33.9795 175.3604 124 L 4.4015 8.2491 124.6652 55.1667 43.1781 175.5516 125 I 5.0004 8.2887 126.2850 59.9762 39.0181 176.3764 126 T 4.5445 8.7465 115.1018 61.2702 70.3496 173.7688 127 E 4.6544 7.7510 122.4268 54.4299 31.4021 174.6243 128 Y 4.3178 8.6777 123.2298 58.0379 39.1283 174.2078 129 P 4.0945 0.0000 0.0000 62.3368 31.6878 175.4381 130 L 4.4239 7.5404 117.7601 54.5742 41.9267 175.8911 131 S 4.3252 8.0983 113.9742 60.3548 62.2870 174.5924 132 G 3.9712 9.3508 117.3162 45.3385 0.0000 173.0247 133 Y 4.4274 8.1371 118.0086 57.7968 39.4918 174.7551 134 T 4.6494 8.4246 112.4588 60.8766 69.8975 174.5714 135 S 4.4004 8.4088 122.1290 57.4778 63.4234 171.9765 136 P 5.2065 0.0000 0.0000 62.7523 32.6251 174.8696 137 A 5.1562 8.6208 122.7259 51.3680 23.5268 174.7347 138 I 4.8307 8.7299 118.9502 59.2568 41.8051 174.2512 139 I 5.0244 8.8907 129.0781 59.5647 41.1780 173.8357 140 L 4.9618 9.1254 130.1757 53.9094 43.4644 175.1731 141 A 5.2866 9.0587 127.7860 50.2424 23.2378 175.6253 142 D 4.6423 8.7782 119.9856 51.9204 41.4337 177.1615 143 A 4.3850 8.6794 120.0187 54.4566 18.3413 178.2586 144 A 4.2934 8.1680 116.5297 52.1565 18.7452 176.8024 145 N 4.2290 8.1128 113.1273 54.2125 36.9753 173.8025 146 V 4.0699 7.6814 117.4318 61.2698 32.8251 174.8770 147 V 4.1067 8.6943 128.0465 63.5348 31.7137 175.8910 148 H 4.7555 9.2825 124.9140 56.7249 30.4164 174.5501 149 Y 4.7475 7.6748 117.3275 56.6768 41.8701 173.1373 150 S 5.0161 7.4023 119.0132 57.4278 66.3257 173.0800 151 E 4.6223 9.2728 121.2296 55.5317 33.3730 173.8633 152 R 4.6228 8.0524 125.9384 54.2749 31.7952 176.3121 153 L 4.2026 8.5424 123.8018 54.7936 42.2965 177.4550 154 A 4.3205 8.7167 125.3040 53.6937 19.4019 176.5836 155 N 5.3670 7.8313 114.3989 51.7993 41.8175 175.1492 156 T 3.9875 9.2396 116.2375 64.1814 68.8918 175.5353 157 R 4.6223 8.1467 119.0297 55.4186 30.5836 176.2395 158 D 4.5125 7.8465 118.4001 53.8447 41.6502 175.6763 159 F 4.9709 8.0513 119.1255 55.7598 40.7761 176.2486 160 F 4.4310 7.5386 121.4504 57.8535 39.5262 176.3817 161 D 4.5900 8.8891 123.1425 53.3281 38.5599 176.8172 162 F 3.7380 7.7422 122.8343 59.7743 39.3212 176.3018 163 D 4.4891 8.2915 118.0413 57.5500 40.5260 178.6525 164 A 3.9952 8.1234 120.9152 55.1087 18.2975 179.8434 165 I 3.2515 7.1107 117.9266 64.1695 37.0812 178.1239 166 E 4.0407 8.8583 120.5980 59.1799 29.4114 178.7598 167 K 3.9579 8.1045 119.5915 59.6009 32.2033 178.7633 168 L 3.9743 7.6149 119.1622 57.8354 41.5437 179.5606 169 L 3.6546 7.8181 118.9389 57.6184 41.2008 179.6670 170 Q 4.2351 8.4866 118.5087 59.1092 28.4914 178.4978 171 E 4.0896 8.4682 119.1032 59.1351 29.4950 179.2626 172 G 3.8424 8.0786 105.2875 48.2488 0.0000 175.3906 173 E 4.2107 8.1092 120.2695 58.0794 29.6053 177.6994 174 Q 4.3645 8.3322 122.3900 55.9837 29.1444 175.3415 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 2 E 8.44 4.23 0.00 1.40 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 2.02 1.47 0.00 3 D 8.13 4.61 0.00 2.75 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 4 F 7.99 4.69 0.00 3.06 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 5 W 7.87 5.49 0.00 2.92 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.86 4.69 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 0.74 0.00 0.00 1.08 0.00 0.00 7 Q 9.11 4.64 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 8 Y 8.70 4.93 0.00 2.86 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 9 G 8.52 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.71 4.50 0.00 2.57 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 11 E 7.92 4.58 0.00 2.23 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 2.23 2.43 0.00 *13 L 8.08 4.60 0.00 1.71 1.67 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 3.85 0.00 1.64 1.62 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.20 0.00 15 V 8.20 4.57 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 0.71 0.00 0.00 1.09 0.00 0.00 16 I 8.80 4.41 1.84 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 1.07 0.81 0.88 0.00 0.00 17 G 8.73 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.27 4.69 0.00 2.61 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 19 F 8.47 4.70 0.00 2.74 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 20 P 0.00 4.15 0.00 1.53 1.61 0.00 2.83 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 21 R 8.50 4.45 0.00 1.68 1.70 0.00 3.28 0.00 0.00 2.99 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 22 K 8.26 4.01 0.00 1.61 1.66 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.48 7.81 23 G 8.89 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.65 4.54 0.00 2.59 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.49 4.50 0.00 2.83 2.89 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 26 L 8.69 3.97 0.00 1.58 1.80 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.34 0.00 1.93 1.87 0.00 2.96 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 1.20 1.74 0.00 28 S 8.47 4.35 0.00 3.96 3.87 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 29 F 7.56 4.68 0.00 3.29 3.44 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 *31 L 8.22 4.39 0.00 1.59 1.66 -0.35 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.99 4.89 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 1.00 0.00 0.00 0.93 0.00 0.00 33 D 9.37 5.36 0.00 2.87 2.89 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 34 D 8.82 4.55 0.00 2.91 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 35 Q 8.20 4.41 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.38 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 36 K 8.24 3.96 0.00 1.84 1.92 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.37 7.81 37 H 8.46 4.71 0.00 3.55 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.65 5.00 0.00 2.58 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 39 A 9.15 4.73 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 40 A 8.74 5.16 1.22 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 0.00 0.00 41 L 7.88 3.78 0.00 1.44 1.64 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.89 4.06 0.00 1.86 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 2.26 2.33 0.00 43 S 7.83 3.97 0.00 2.72 3.20 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 0.00 44 F 7.66 4.93 0.00 3.07 3.01 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 45 S 7.70 4.42 0.00 3.70 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 46 H 8.55 4.15 0.00 3.36 3.43 0.00 5.69 0.00 0.00 0.00 0.00 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.51 4.86 4.33 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 1.42 0.00 0.00 48 P 0.00 4.72 0.00 2.17 2.16 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.00 0.00 49 K 9.22 5.16 0.00 1.81 1.90 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.54 7.81 50 L 9.09 5.01 0.00 1.76 1.59 0.92 1.08 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 51 I 8.79 4.77 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.89 0.00 0.00 52 V 8.88 4.93 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 1.33 0.00 0.00 0.84 0.00 0.00 53 T 8.70 5.39 4.32 0.00 0.00 0.00 0.00 0.00 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 54 L 8.29 5.19 0.00 1.55 1.81 0.98 1.14 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 55 L 8.78 4.33 0.00 1.65 1.61 0.65 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.69 4.76 0.00 3.99 3.77 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 57 V 8.97 3.82 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 0.75 0.00 0.00 1.03 0.00 0.00 58 D 8.33 4.79 0.00 2.68 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 59 E 7.96 4.38 0.00 2.21 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 2.39 2.41 0.00 60 D 7.96 4.81 0.00 2.89 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 61 E 8.18 4.04 0.00 1.93 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 2.34 2.29 0.00 62 H 8.08 4.80 0.00 3.42 3.40 0.00 5.84 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 63 A 8.67 3.93 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 64 G 6.98 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 65 L 9.34 3.96 0.00 1.91 1.65 0.87 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.77 4.02 0.00 1.89 1.86 0.96 0.47 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 67 L 7.95 3.89 0.00 1.84 1.85 0.61 0.18 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 68 L 8.18 4.01 0.00 1.93 1.86 0.95 0.91 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 69 R 8.32 3.91 0.00 1.94 1.95 0.00 3.27 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 70 E 8.14 3.70 0.00 1.58 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 1.47 1.61 0.00 71 T 8.07 3.78 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 1.40 0.00 0.00 72 R 7.99 3.93 0.00 1.82 2.08 0.00 3.27 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 1.64 1.65 0.00 73 R 8.14 3.97 0.00 1.86 2.05 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 74 F 8.13 4.05 0.00 2.55 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 75 L 8.00 4.24 0.00 1.99 1.76 1.06 1.17 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 76 D 7.55 4.44 0.00 2.83 2.59 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 77 S 7.18 4.08 0.00 2.93 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 78 W 7.94 4.86 0.00 3.22 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 79 P 0.00 4.30 0.00 1.99 2.08 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.85 0.00 80 H 8.06 4.56 0.00 3.27 3.44 0.00 5.69 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.79 4.65 0.00 1.65 1.69 0.87 0.89 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 82 K 8.79 4.25 0.00 1.92 1.70 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.42 7.81 83 L 8.56 4.80 0.00 1.85 1.55 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.76 4.73 1.67 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.33 0.55 0.00 0.00 85 V 8.91 4.74 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 0.97 0.00 0.00 0.94 0.00 0.00 86 I 8.67 4.98 1.59 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.76 0.02 0.00 0.00 87 T 8.39 4.95 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 88 V 8.20 4.04 1.91 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 1.05 0.00 0.00 0.48 0.00 0.00 89 D 7.82 4.46 0.00 2.64 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 90 S 8.35 4.30 0.00 4.02 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 91 P 0.00 4.20 0.00 2.16 2.34 0.00 3.58 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 2.09 2.16 0.00 92 S 7.99 4.12 0.00 3.86 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 93 S 8.22 4.16 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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5.65 0.00 3.82 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 0.00 111 T 8.17 4.42 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 0.88 0.00 0.00 112 L 7.83 3.91 0.00 1.76 1.82 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 113 R 7.83 3.98 0.00 1.84 2.03 0.00 3.25 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 *115 R 7.85 4.19 0.00 1.85 1.85 0.00 3.08 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.51 0.00 116 D 8.27 4.41 0.00 3.01 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 F 8.46 4.24 0.00 3.17 3.14 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 0.00 118 H 8.40 4.07 0.00 3.45 3.38 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.94 3.95 0.00 1.83 1.81 0.00 1.64 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 128 Y 8.68 4.32 0.00 2.99 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 0.00 129 P 0.00 4.09 0.00 1.84 0.73 0.00 3.61 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 130 L 7.54 4.42 0.00 1.53 1.45 0.32 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.10 4.33 0.00 3.96 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 0.00 132 G 9.35 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 0.00 133 Y 8.14 4.43 0.00 2.94 2.82 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 0.00 134 T 8.42 4.65 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 1.05 0.00 0.00 135 S 8.41 4.40 0.00 3.88 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 0.00 136 P 0.00 5.21 0.00 2.22 2.23 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 137 A 8.62 5.16 1.28 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 0.00 0.00 0.00 138 I 8.73 4.83 0.56 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 0.98 1.09 0.64 0.00 0.00 139 I 8.89 5.02 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.68 0.88 0.00 0.00 140 L 9.13 4.96 0.00 1.78 1.74 0.87 0.56 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 0.00 141 A 9.06 5.29 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 0.00 142 D 8.78 4.64 0.00 2.90 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 0.00 143 A 8.68 4.38 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 0.00 144 A 8.17 4.29 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 0.00 145 N 8.11 4.23 0.00 3.06 2.97 0.00 0.00 6.55 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.68 4.07 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 0.68 0.00 0.00 0.02 0.00 0.00 147 V 8.69 4.11 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 0.75 0.00 0.00 0.78 0.00 0.00 148 H 9.28 4.76 0.00 3.00 3.33 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.67 4.75 0.00 3.04 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 0.00 150 S 7.40 5.02 0.00 3.42 3.43 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 0.00 151 E 9.27 4.62 0.00 1.98 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 2.32 2.36 0.00 152 R 8.05 4.62 0.00 0.67 0.98 0.00 2.24 0.00 0.00 2.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.50 0.00 153 L 8.54 4.20 0.00 1.71 1.79 0.78 0.45 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 0.00 154 A 8.72 4.32 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 0.00 155 N 7.83 5.37 0.00 2.66 2.93 0.00 0.00 6.97 7.22 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 0.00 156 T 9.24 3.99 4.40 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 1.31 0.00 0.00 157 R 8.15 4.62 0.00 1.87 1.89 0.00 3.00 0.00 0.00 2.87 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 158 D 7.85 4.51 0.00 2.75 2.56 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 0.00 159 F 8.05 4.97 0.00 2.98 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 0.00 160 F 7.54 4.43 0.00 1.83 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 0.00 161 D 8.89 4.59 0.00 2.76 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.74 3.74 0.00 3.02 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.49 0.00 2.89 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 0.00 164 A 8.12 4.00 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 0.00 165 I 7.11 3.25 1.64 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 -0.28 0.78 0.00 0.00 166 E 8.86 4.04 0.00 2.51 2.42 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 2.50 2.67 0.00 167 K 8.10 3.96 0.00 2.05 1.95 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.52 7.81 168 L 7.61 3.97 0.00 1.73 1.65 1.04 0.84 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 0.00 169 L 7.82 3.65 0.00 0.67 0.13 -0.10 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 170 Q 8.49 4.24 0.00 2.34 2.27 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 2.78 2.95 0.00 171 E 8.47 4.09 0.00 2.09 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 2.37 2.46 0.00 172 G 8.08 3.84 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 0.00 0.00 0.00 173 E 8.11 4.21 0.00 2.15 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 2.47 2.77 0.00 174 Q 8.33 4.36 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 * Residues marked with a * may have inaccurate shift predictions.