NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4792 8.3193 116.8201 58.3969 64.2237 172.9439 3 T 4.1606 8.1133 112.6192 59.8009 69.8408 172.2699 4 I 2.0878 7.5093 122.6727 59.5828 39.0752 175.0936 5 P 4.2987 0.0000 0.0000 62.4568 32.0452 176.6227 6 S 4.3767 8.4640 115.3054 60.1368 62.7314 173.8764 7 E 4.7700 7.7895 119.1461 54.6733 30.2837 176.0185 8 I 3.8234 8.5453 124.5006 63.6187 37.4861 176.0854 9 I 4.4294 7.3507 119.4195 58.9979 39.5070 175.6864 10 N 4.5387 8.5945 124.5035 52.1750 38.2154 175.3895 11 W 4.0420 8.4227 128.2488 59.5600 29.0326 178.1208 12 T 3.9634 7.6491 115.3962 66.5608 68.0581 176.4509 13 I 3.8750 7.7441 121.1816 64.3512 37.3447 178.0941 14 L 3.8941 7.8814 121.1673 58.1109 41.7348 178.5347 15 N 4.4288 8.7376 116.9724 56.4533 38.1906 177.1100 16 E 4.0078 7.8574 118.9924 59.4445 29.8463 179.1600 17 I 4.0634 7.6414 119.3597 64.5644 37.3501 178.4313 18 I 4.1281 8.1645 121.0270 64.2651 36.7185 178.4126 19 S 4.5295 8.3533 114.3077 60.8135 62.7500 175.3497 20 M 4.4215 7.7635 120.8467 54.7119 32.1923 175.5449 21 D 4.7612 8.2065 120.5635 54.1290 42.1718 175.7559 *26 D 4.6537 8.4335 118.2329 54.6928 42.6252 177.8567 27 F 4.2617 8.1527 120.5321 61.3080 39.4124 176.9516 28 S 3.5617 9.2377 113.9068 61.2823 62.6624 176.4556 29 K 3.4641 7.8563 122.7788 58.7751 31.9656 178.7327 30 G 3.5423 8.0167 106.1277 47.7930 0.0000 175.3385 31 L 3.8386 7.6938 123.2401 57.8346 41.9496 179.1548 32 I 3.7656 7.9426 120.1644 64.3636 37.0166 178.5488 33 I 3.7479 7.9668 121.0239 64.1824 36.8186 178.1857 34 Q 3.9243 8.2122 120.5617 59.0250 28.8040 178.0382 35 F 4.0023 8.2688 121.5678 61.4604 39.4859 176.9651 36 I 3.9284 8.1944 119.6599 64.7441 36.9557 178.1950 37 D 4.3043 7.9978 119.4037 57.3776 40.5846 178.6272 38 Q 3.8626 8.1500 120.2189 58.8576 28.9813 178.1776 39 A 2.9921 7.4012 122.1034 54.8358 18.1970 179.6018 40 Q 3.8141 7.4565 116.4726 59.2714 28.6558 179.2901 41 T 3.7910 7.7615 116.6270 66.8969 68.4150 176.8709 42 T 3.8147 7.7870 117.6635 66.6621 68.3844 176.7718 43 F 4.4353 8.1567 119.8545 60.6691 38.9353 177.6478 44 A 4.0296 8.0200 120.4072 55.2045 18.1259 179.7588 45 Q 3.9653 8.3932 117.0949 59.1803 28.7357 178.8045 46 M 4.0276 8.2724 120.0095 58.3991 32.0544 178.3337 47 Q 3.9316 8.2742 119.8960 59.3561 29.1608 178.4810 48 R 3.8812 8.0342 119.4220 59.7242 30.1125 178.4888 49 Q 4.0193 8.1284 117.7180 58.8443 28.4172 178.8313 50 L 3.9926 7.6228 119.3233 57.8897 41.8025 178.8799 51 D 4.6642 8.2475 117.1624 53.5724 41.1985 177.4883 52 G 3.7967 8.1584 104.2098 45.1734 0.0000 174.5316 53 E 3.9159 9.6402 124.3556 57.2506 30.0664 175.6648 54 K 3.7837 8.2964 116.5609 57.1510 30.3730 175.7294 55 N 4.5709 8.3748 117.9685 52.7449 39.1810 174.1796 56 L 4.0324 8.4181 129.4962 58.0942 41.7856 179.6219 57 T 3.8500 8.0396 115.9634 66.4287 68.3596 176.4408 58 E 3.9679 8.2491 120.8934 59.0462 29.7672 178.5494 59 L 4.0406 7.9535 119.2362 57.6036 41.5932 178.9106 60 D 4.2994 8.3069 118.1303 57.4650 41.2236 177.9799 61 N 4.3308 8.1627 116.8013 56.5363 38.5903 177.4090 62 L 4.1707 8.5994 120.6700 57.7254 41.6726 179.8564 63 G 3.6482 8.3431 105.8177 47.8902 0.0000 175.1256 64 H 4.1786 8.4695 120.7503 59.0519 29.9265 177.0732 65 F 4.1939 8.3377 122.2829 61.4289 39.3071 176.8985 66 L 3.7628 8.1036 119.8275 57.4090 41.7805 178.6028 67 K 3.9805 8.2119 120.1742 59.5052 31.9800 178.8878 68 G 3.5506 7.6079 105.8350 47.8118 0.0000 175.8878 69 S 4.0568 7.4605 117.0941 61.2430 62.6039 176.8584 70 S 3.6113 8.2134 116.6744 61.3816 62.7438 176.1786 71 A 3.9763 8.3422 125.0519 54.7560 17.8945 179.5207 72 A 3.9837 7.5725 117.7868 54.4299 18.5035 178.8045 73 L 4.2633 7.3300 115.4199 54.2423 42.2550 177.6388 74 G 3.7564 7.8070 108.0469 46.1138 0.0000 174.1169 75 L 4.3757 7.4066 122.4142 53.5654 38.8132 177.2056 76 Q 4.1659 8.1024 121.4544 58.4420 29.2774 178.8931 77 R 4.0354 7.8994 120.2698 59.2600 30.2669 178.4417 78 I 3.9041 7.9610 118.9471 64.4984 37.1763 178.1228 79 A 4.1242 8.0969 122.8204 54.3259 18.2366 179.4093 80 W 4.0846 8.4173 126.8952 60.6469 30.7247 178.2879 81 V 3.6550 8.3392 118.1188 66.3626 31.0198 177.5724 82 C 4.0573 8.3491 116.4917 63.0660 28.0782 175.9039 83 E 3.9401 8.1580 120.6636 59.1404 29.1756 179.0990 84 R 3.7793 7.5897 118.3452 59.0010 29.9607 178.9128 85 I 3.6134 7.8492 119.8344 64.5265 37.0825 178.4265 86 Q 3.9694 8.0387 118.7432 59.1457 28.4962 178.7603 87 N 4.3665 7.9570 116.9785 56.0230 38.5646 177.5107 88 L 4.2088 8.5352 121.0824 57.9130 41.5488 179.8800 89 G 3.6126 8.1132 104.4196 47.0986 0.0000 174.9941 90 R 4.2029 7.7532 117.8661 55.1307 30.4381 176.3306 91 K 3.2782 7.5199 117.1290 57.7124 29.8361 176.2364 92 M 4.4321 8.3302 118.3283 55.6982 32.8104 176.3347 93 E 4.9294 7.8652 117.0037 55.1477 33.5940 174.6252 94 H 4.9124 8.4460 115.2263 55.1261 29.2082 172.9942 95 F 5.0040 8.0307 116.2771 57.0490 42.9174 173.9829 96 F 4.7910 8.5329 123.4241 56.4110 42.1586 172.5144 97 P 4.4213 0.0000 0.0000 62.1901 32.0316 176.0924 98 N 4.8424 8.7455 118.6069 51.8971 39.8147 176.1637 99 K 4.2676 8.4455 122.4428 59.5197 32.1896 178.8131 100 T 3.8746 7.9606 115.4826 66.5131 68.1956 176.3915 101 E 3.9059 8.2117 119.5216 59.4510 29.8426 179.1326 102 L 4.0417 7.8315 118.9598 57.9038 41.7471 179.9834 103 V 3.7830 8.1232 112.0292 63.7483 31.2819 177.8068 104 N 4.5763 7.8666 115.3117 54.9234 38.5558 176.1605 105 T 4.2203 7.6749 110.9057 60.9438 69.5147 174.6506 106 L 4.2521 7.1180 123.1355 54.8492 42.2001 177.5184 107 S 4.1303 8.8371 118.6457 60.6839 62.9561 173.7054 108 D 4.5738 7.7141 119.5422 51.3329 42.1160 175.1630 109 K 4.1124 8.4732 127.9692 58.2955 32.3111 178.2009 110 S 4.3516 8.1176 115.6369 60.9084 62.5024 175.9502 111 I 3.6618 7.3115 121.1340 63.4669 37.6082 176.8403 112 I 4.1690 7.8134 119.5148 61.5072 37.4657 175.4403 113 N 4.3637 7.8743 119.4387 54.7776 38.6849 175.6079 114 G 3.9304 9.7182 111.1804 45.6032 0.0000 172.7948 115 I 4.5610 7.2441 110.7283 58.6287 40.7501 174.1760 116 N 4.6105 8.6403 121.7648 52.5774 38.8203 175.6959 117 I 3.9065 8.4162 119.6565 62.8202 38.1229 176.1560 118 D 4.7777 8.2807 120.7794 53.8720 41.4000 177.4278 119 E 3.8806 8.1340 121.6963 59.3769 29.4819 177.4444 120 D 4.8008 7.8910 114.5171 53.9880 41.1721 176.2346 121 D 4.7231 7.9852 120.0760 54.6009 41.3008 175.6647 122 E 4.7698 9.2173 121.9082 54.4410 33.1846 174.5592 123 E 4.7780 8.5190 117.9396 54.4186 32.7995 173.9432 124 I 4.6459 7.7189 113.5398 59.4196 40.3448 175.2516 125 K 3.7939 8.4453 120.6536 54.6692 32.3387 171.0585 *132 D 4.3862 8.4539 118.2750 54.0740 41.5735 175.5825 133 E 3.9678 9.0079 127.3894 59.8267 29.5796 178.4957 134 N 4.6618 8.7620 115.9652 55.9583 38.4310 177.4666 135 S 4.1115 7.8616 117.1453 61.5578 62.9108 176.3699 136 I 3.5078 7.2426 121.3669 64.8009 36.7695 178.1206 137 Y 3.9991 7.5361 116.6343 60.9357 37.6931 178.2767 138 L 3.9985 8.2155 120.0616 57.8480 41.7467 179.6939 139 I 3.6704 7.8880 119.7042 64.4746 37.0047 178.5736 140 L 4.0355 7.8402 119.7367 57.7368 41.3491 179.7215 141 I 3.5454 8.0530 119.9033 64.0177 37.0280 178.1107 142 A 3.9072 8.1486 121.9308 55.0873 18.2178 179.5290 143 K 3.8156 8.0357 117.7006 59.7346 32.2840 178.8941 144 A 3.2692 7.7719 121.2904 54.4907 18.0257 179.3395 145 L 3.6772 8.1196 119.4014 58.3190 42.2102 178.8622 146 N 4.2051 8.0270 116.3508 56.3386 38.2335 177.0177 147 Q 4.0286 8.0094 120.7301 59.5281 29.1210 178.6116 148 S 4.2163 8.5146 116.3223 61.6473 62.8100 176.8891 149 R 3.6933 7.9870 121.1220 59.0093 29.6937 178.8878 150 L 3.9867 7.8687 119.8544 58.3589 42.2094 178.7127 151 E 4.0309 8.5782 118.8821 59.4216 29.3272 179.2540 152 F 4.4975 8.8014 120.9043 61.3435 39.5022 176.9900 153 K 3.7447 8.2464 119.1839 59.5885 31.9767 178.6694 154 L 3.9763 8.2939 119.1641 57.7179 41.4988 179.3591 155 A 4.0039 8.1356 120.7285 55.1503 18.2874 179.8630 156 R 3.8045 8.0122 116.6200 59.3547 30.1289 179.2734 157 I 3.6889 7.9759 119.7318 64.4984 37.1650 178.2924 158 E 4.0640 8.2858 119.1851 59.5749 29.2857 179.4903 159 L 4.2357 8.4214 119.3367 57.9306 41.6715 179.6837 160 S 4.9687 8.9054 117.1186 61.1134 62.8552 176.9794 161 K 4.0523 8.2477 121.3945 60.1914 31.9909 178.5709 162 Y 3.9590 8.0261 120.0351 60.0676 38.8533 176.2720 163 Y 4.3198 8.2949 114.7883 56.7388 38.9245 174.8748 164 N 4.2043 7.5834 116.0409 53.6506 37.1210 174.0709 165 T 4.3155 7.6224 108.0768 61.0570 71.0804 171.8387 166 N 4.5437 8.8936 125.5687 53.5366 38.6343 175.2408 167 L 4.3139 8.7012 123.4529 54.7682 41.9664 176.5564 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 S 8.32 4.48 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.11 4.16 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 1.15 0.00 0.00 4 I 7.51 2.09 0.56 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.19 0.37 0.00 0.00 5 P 0.00 4.30 0.00 2.01 1.91 0.00 3.54 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 6 S 8.46 4.38 0.00 3.79 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 7 E 7.79 4.77 0.00 1.98 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 2.28 2.32 0.00 8 I 8.55 3.82 1.87 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 1.43 0.85 0.90 0.00 0.00 9 I 7.35 4.43 1.32 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.41 -0.58 0.00 0.00 10 N 8.59 4.54 0.00 2.82 2.61 0.00 0.00 6.82 8.04 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 11 W 8.42 4.04 0.00 3.42 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.65 3.96 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 I 7.74 3.87 1.91 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 1.50 1.30 0.86 0.00 0.00 14 L 7.88 3.89 0.00 1.49 1.33 0.86 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.74 4.43 0.00 2.93 2.94 0.00 0.00 6.98 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 16 E 7.86 4.01 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 17 I 7.64 4.06 2.09 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.87 1.02 0.00 0.00 18 I 8.16 4.13 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.83 1.14 0.00 0.00 19 S 8.35 4.53 0.00 4.05 4.18 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 20 M 7.76 4.42 0.00 1.79 2.37 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 21 D 8.21 4.76 0.00 2.88 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 *26 D 8.43 4.65 0.00 2.80 2.80 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 0.00 0.00 0.00 27 F 8.15 4.26 0.00 3.19 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 28 S 9.24 3.56 0.00 4.09 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 0.00 29 K 7.86 3.46 0.00 1.51 1.67 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 0.97 7.81 30 G 8.02 3.54 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 0.00 0.00 0.00 31 L 7.69 3.84 0.00 1.18 1.46 0.89 1.24 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 32 I 7.94 3.77 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 1.35 0.38 0.90 0.00 0.00 33 I 7.97 3.75 1.97 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 1.37 0.97 0.90 0.00 0.00 34 Q 8.21 3.92 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 35 F 8.27 4.00 0.00 3.18 3.28 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 36 I 8.19 3.93 2.16 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 1.68 0.94 1.06 0.00 0.00 37 D 8.00 4.30 0.00 2.86 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 38 Q 8.15 3.86 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 39 A 7.40 2.99 -0.17 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 0.00 0.00 40 Q 7.46 3.81 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 41 T 7.76 3.79 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 1.15 0.00 0.00 42 T 7.79 3.81 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 1.25 0.00 0.00 43 F 8.16 4.44 0.00 2.91 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 44 A 8.02 4.03 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 45 Q 8.39 3.97 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 46 M 8.27 4.03 0.00 2.07 2.32 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 47 Q 8.27 3.93 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 48 R 8.03 3.88 0.00 2.05 2.01 0.00 3.13 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 49 Q 8.13 4.02 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 50 L 7.62 3.99 0.00 1.78 1.71 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.25 4.66 0.00 2.65 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 52 G 8.16 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.64 3.92 0.00 1.92 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 0.00 2.28 2.33 0.00 54 K 8.30 3.78 0.00 1.87 1.86 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.49 7.81 55 N 8.37 4.57 0.00 2.75 2.84 0.00 0.00 7.27 6.22 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 56 L 8.42 4.03 0.00 1.67 1.84 0.86 0.77 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 57 T 8.04 3.85 4.45 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 1.20 0.00 0.00 58 E 8.25 3.97 0.00 2.05 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 2.34 2.42 0.00 59 L 7.95 4.04 0.00 1.88 1.69 0.91 0.97 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 60 D 8.31 4.30 0.00 2.82 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 61 N 8.16 4.33 0.00 2.94 2.84 0.00 0.00 7.11 6.09 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 62 L 8.60 4.17 0.00 1.79 1.76 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.34 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.47 4.18 0.00 3.51 3.62 0.00 5.79 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 65 F 8.34 4.19 0.00 3.17 3.28 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 66 L 8.10 3.76 0.00 1.79 1.65 0.59 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.21 3.98 0.00 2.01 1.93 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.48 7.81 68 G 7.61 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.46 4.06 0.00 3.89 4.17 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 70 S 8.21 3.61 0.00 4.19 4.27 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 71 A 8.34 3.98 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 72 A 7.57 3.98 1.32 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 0.00 0.00 0.00 73 L 7.33 4.26 0.00 1.14 1.41 0.52 0.84 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 74 G 7.81 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 75 L 7.41 4.38 0.00 1.50 1.54 0.31 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.10 4.17 0.00 2.46 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 77 R 7.90 4.04 0.00 1.93 2.17 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 78 I 7.96 3.90 2.18 0.00 0.00 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 1.88 0.77 1.18 0.00 0.00 79 A 8.10 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.42 4.08 0.00 3.56 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 81 V 8.34 3.66 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 1.16 0.00 0.00 1.45 0.00 0.00 82 C 8.35 4.06 0.00 3.26 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.16 3.94 0.00 2.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 84 R 7.59 3.78 0.00 1.88 1.94 0.00 2.21 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.72 0.00 85 I 7.85 3.61 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.88 0.00 0.00 86 Q 8.04 3.97 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 87 N 7.96 4.37 0.00 2.92 2.88 0.00 0.00 7.04 6.38 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 88 L 8.54 4.21 0.00 1.84 1.80 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.11 3.61 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 0.00 0.00 0.00 90 R 7.75 4.20 0.00 1.74 1.91 0.00 3.28 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 K 7.52 3.28 0.00 1.59 1.31 0.00 1.34 0.00 0.00 1.10 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.89 7.81 92 M 8.33 4.43 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.77 0.00 93 E 7.87 4.93 0.00 1.96 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 2.26 2.31 0.00 94 H 8.45 4.91 0.00 2.73 3.24 0.00 5.47 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 F 8.03 5.00 0.00 3.03 2.91 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 96 F 8.53 4.79 0.00 2.98 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.42 0.00 1.88 1.98 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.96 0.00 98 N 8.75 4.84 0.00 3.05 3.00 0.00 0.00 6.98 5.84 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 99 K 8.45 4.27 0.00 1.90 1.89 0.00 1.96 0.00 0.00 1.94 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.68 7.81 100 T 7.96 3.87 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 1.21 0.00 0.00 101 E 8.21 3.91 0.00 2.09 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 2.32 2.40 0.00 102 L 7.83 4.04 0.00 1.89 1.72 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 103 V 8.12 3.78 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 0.96 0.00 0.00 0.97 0.00 0.00 104 N 7.87 4.58 0.00 2.94 2.84 0.00 0.00 6.96 7.60 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 0.00 105 T 7.67 4.22 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 1.08 0.00 0.00 106 L 7.12 4.25 0.00 1.74 1.65 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.84 4.13 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 7.71 4.57 0.00 2.73 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 0.00 109 K 8.47 4.11 0.00 1.86 1.78 0.00 1.77 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.49 7.81 110 S 8.12 4.35 0.00 4.13 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.31 3.66 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.98 0.00 0.00 112 I 7.81 4.17 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.55 0.92 0.00 0.00 113 N 7.87 4.36 0.00 2.84 2.76 0.00 0.00 6.86 8.30 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 0.00 114 G 9.72 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 I 7.24 4.56 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 1.25 0.74 0.92 0.00 0.00 116 N 8.64 4.61 0.00 2.83 2.76 0.00 0.00 6.88 7.88 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 0.00 117 I 8.42 3.91 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 1.43 0.73 0.93 0.00 0.00 118 D 8.28 4.78 0.00 2.90 2.81 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 0.00 119 E 8.13 3.88 0.00 2.05 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 2.35 2.33 0.00 120 D 7.89 4.80 0.00 2.72 2.68 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 0.00 121 D 7.99 4.72 0.00 2.74 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 0.00 122 E 9.22 4.77 0.00 1.93 1.78 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 2.22 2.34 0.00 123 E 8.52 4.78 0.00 2.02 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 0.00 2.15 2.24 0.00 124 I 7.72 4.65 1.86 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 1.26 0.72 0.93 0.00 0.00 125 K 8.45 3.79 0.00 1.79 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.05 7.81 *132 D 8.45 4.39 0.00 2.70 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 0.00 133 E 9.01 3.97 0.00 2.11 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 2.55 2.48 0.00 134 N 8.76 4.66 0.00 3.06 2.91 0.00 0.00 7.07 7.81 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 0.00 135 S 7.86 4.11 0.00 3.91 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 0.00 136 I 7.24 3.51 1.15 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.46 0.00 0.00 137 Y 7.54 4.00 0.00 3.13 3.13 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 0.00 138 L 8.22 4.00 0.00 1.83 1.72 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 139 I 7.89 3.67 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 0.89 0.00 0.00 140 L 7.84 4.04 0.00 1.83 1.74 0.83 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.05 3.55 1.98 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 1.40 0.67 0.86 0.00 0.00 142 A 8.15 3.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.82 0.00 1.86 1.98 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.36 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.68 1.56 7.81 144 A 7.77 3.27 0.54 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 0.00 0.00 145 L 8.12 3.68 0.00 1.69 1.77 0.69 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.03 4.21 0.00 2.92 3.00 0.00 0.00 6.70 6.73 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 0.00 147 Q 8.01 4.03 0.00 2.46 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 148 S 8.51 4.22 0.00 3.64 3.78 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 0.00 149 R 7.99 3.69 0.00 1.87 1.95 0.00 3.04 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.23 0.00 150 L 7.87 3.99 0.00 1.82 1.88 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.58 4.03 0.00 2.31 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 2.66 2.65 0.00 152 F 8.80 4.50 0.00 3.57 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 3.74 0.00 1.92 2.00 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.47 7.81 154 L 8.29 3.98 0.00 1.91 1.73 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 155 A 8.14 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 0.00 156 R 8.01 3.80 0.00 1.87 1.87 0.00 2.21 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.00 157 I 7.98 3.69 2.03 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 1.53 0.93 0.94 0.00 0.00 158 E 8.29 4.06 0.00 2.16 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 2.51 2.54 0.00 159 L 8.42 4.24 0.00 1.78 1.95 0.94 0.80 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 0.00 160 S 8.91 4.97 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.25 4.05 0.00 2.04 2.13 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.73 1.59 7.81 162 Y 8.03 3.96 0.00 3.14 3.21 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 0.00 163 Y 8.29 4.32 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 7.58 4.20 0.00 2.97 2.86 0.00 0.00 6.68 7.42 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 0.00 165 T 7.62 4.32 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 1.32 0.00 0.00 166 N 8.89 4.54 0.00 2.75 2.78 0.00 0.00 6.84 7.85 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 0.00 167 L 8.70 4.31 0.00 1.60 1.52 0.89 0.86 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 * Residues marked with a * may have inaccurate shift predictions.