NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2034 8.2649 123.5803 51.8367 19.8587 175.4154 3 R 3.9849 8.3997 116.8799 55.7849 30.2818 175.1337 4 K 4.5177 9.1544 125.0510 55.5764 34.5299 175.9430 5 V 4.6188 8.9973 124.7882 61.5848 33.3289 174.4867 6 I 4.9975 8.9646 128.9021 59.3786 40.5613 174.0471 7 L 5.0682 8.8537 129.1594 53.3530 44.1807 174.7395 8 F 5.3804 9.4638 128.3659 56.7709 41.4500 173.4770 9 I 4.8414 8.4424 125.4533 59.6050 41.7362 173.3643 10 A 5.8945 8.6890 128.4658 49.3462 22.1157 175.6393 *12 S 4.3333 8.2945 112.9621 57.8301 64.2677 175.0031 13 I 3.5229 8.0459 121.7884 64.4901 36.6425 177.0655 14 D 4.6726 7.8636 117.1598 53.2931 39.5184 175.6074 15 N 4.1912 8.0344 115.0741 55.1719 36.6995 173.2329 16 Y 5.0830 7.7862 115.6455 56.8853 39.2256 176.6310 17 I 4.5658 8.7026 116.7462 61.2593 39.1242 175.0782 18 A 5.0840 7.7196 122.7557 51.5039 21.9096 175.1852 19 D 4.9635 8.9050 120.2465 51.8674 41.2981 177.0155 20 D 4.3888 8.5253 118.0528 57.7686 40.3658 177.8749 21 Q 4.2402 8.7897 116.4935 55.5572 28.6684 177.1747 22 G 3.8130 8.4651 106.0041 45.8181 0.0000 174.0084 23 A 4.5455 7.5984 123.1904 51.4842 19.9763 178.5874 24 V 4.2756 7.9978 111.8323 60.4940 33.1986 177.8662 25 D 4.3688 8.2353 123.7093 56.1436 38.8027 178.0158 26 W 4.3970 8.0918 116.7331 58.8505 28.3671 178.0085 27 L 3.6246 6.6769 120.4920 57.7491 41.0815 179.0653 28 E 3.8989 7.8368 117.8366 59.3302 29.2622 179.2495 29 K 4.0982 7.5927 117.1072 58.4021 32.1868 177.0031 30 N 4.8468 7.4917 114.3892 52.7680 39.0817 174.2718 31 V 3.8362 7.5096 118.9436 62.6306 32.2439 175.6567 32 H 4.6349 9.6252 125.2087 56.0518 28.9118 172.5742 33 G 4.5890 7.8699 109.3244 43.5688 0.0000 171.4413 34 T 4.6245 8.0443 107.1775 61.0409 69.2608 174.1157 35 E 4.2017 8.3781 121.5050 56.4479 30.0476 177.1545 36 S 4.3928 8.3734 116.6114 58.1772 64.0142 173.0207 37 D 4.8514 8.4328 120.9796 52.7023 43.8303 174.9828 38 D 4.8626 8.4042 123.3264 53.2099 40.1847 178.2309 39 S 4.1703 8.6244 117.7392 62.3087 63.1511 175.2864 40 Y 3.3764 8.2808 119.8967 60.3148 38.9733 176.7906 41 E 3.8300 8.2035 117.4490 59.1561 29.5244 178.8004 42 K 4.0073 8.2184 117.0273 57.3550 31.6467 177.3056 *44 Y 3.9042 7.8797 120.6605 57.0388 40.1828 177.1438 45 S 4.2098 7.6743 112.8642 60.3161 63.5761 175.2563 46 K 4.1387 7.4507 120.1382 57.3071 32.4526 176.3596 47 I 4.7291 6.8021 111.0810 59.8479 38.9658 175.6446 48 D 4.8952 8.8293 121.6160 53.4750 41.2260 175.4219 49 T 5.1836 7.6450 115.9272 62.2081 73.1369 172.9481 50 V 4.8051 9.0858 119.0048 59.6165 34.8634 174.8363 51 I 5.0722 7.9261 124.3342 58.4504 41.1652 175.2480 *53 G 4.0488 8.3909 112.7602 45.1667 0.0000 173.8050 54 R 4.0250 8.5044 118.1388 59.7434 29.8060 178.6478 55 T 3.9526 7.8600 114.9766 66.8784 68.5772 176.6341 56 T 3.9029 8.0161 117.2095 66.9797 68.4977 175.5424 57 Y 4.3048 8.0863 121.1595 61.0694 38.3395 178.2482 58 E 3.7765 8.1172 119.1075 59.3173 29.5360 179.3416 59 Q 3.7814 8.4902 118.6606 58.6115 28.4942 178.8784 60 V 3.6451 7.8054 119.3532 65.8439 31.7040 177.3041 61 T 4.3889 7.3476 106.4988 61.7173 68.8136 174.1538 62 Q 4.2593 7.4837 120.2429 58.2008 31.4240 177.8571 63 K 4.2785 7.8368 121.2359 53.9350 31.1278 179.6468 *68 K 4.1728 7.5352 121.1836 54.5012 33.9777 176.9741 69 Y 4.5116 8.4234 124.7708 56.2782 39.3329 176.8191 70 V 3.4033 8.1886 127.1223 64.0781 31.7885 176.2482 71 Y 5.2554 5.6461 116.6354 56.5681 38.4121 177.6309 72 A 4.1596 7.3175 125.5955 55.1661 18.5873 179.2316 73 D 4.7391 8.0852 112.7763 53.9225 39.6448 175.6238 74 R 4.7884 7.6648 117.8346 54.5003 34.8142 174.7280 75 Q 4.3709 8.8351 120.0178 56.1484 30.0833 175.3899 76 T 4.8239 9.0363 121.1175 61.9432 71.3322 172.8349 77 Y 4.8389 8.7831 123.5159 56.2496 40.8747 174.6696 78 I 4.2073 8.8599 126.3197 59.8289 38.7099 175.3791 79 V 4.8415 8.4241 128.7059 62.2489 31.2375 174.1533 80 T 4.8697 8.8347 121.6792 60.4515 70.7676 174.6346 81 S 4.2698 8.8898 120.9050 60.4795 63.7336 174.1224 82 H 4.4043 7.8058 122.0015 56.0513 29.9487 175.1346 83 L 4.1754 7.9987 127.6540 54.3039 41.5472 177.3873 84 G 2.9548 7.2465 106.7130 45.4503 0.0000 173.1893 85 E 4.2930 8.0059 118.9235 55.0174 30.4918 176.8174 86 D 4.9006 8.5415 123.3467 54.5164 41.6624 174.9784 87 T 4.7737 8.4601 111.0465 59.6197 72.0515 173.3544 88 D 4.4991 8.9000 119.9864 56.0322 39.1768 177.5093 89 K 4.6039 7.9040 115.5509 54.8647 33.8967 175.0568 90 I 4.7661 7.5834 120.3951 59.3842 40.1520 174.4757 91 K 4.9798 8.7179 127.2674 54.7787 34.6367 175.2772 92 Y 4.8859 9.5314 122.1158 56.7161 39.7086 175.0766 93 W 5.0567 9.7281 133.2831 55.8091 33.2845 175.5622 94 K 4.5159 8.1898 125.0609 56.1981 33.1674 176.2437 95 Q 4.3385 5.9934 118.7760 54.4938 31.1664 175.6096 96 S 4.5469 8.4849 113.1913 57.8806 65.1940 172.8044 97 P 4.1773 0.0000 0.0000 66.4429 30.7704 178.6449 98 V 3.6134 8.0172 120.0009 66.3173 31.2742 178.2905 99 E 4.0544 8.4034 117.8758 60.9114 29.5738 180.4184 100 L 2.9099 7.7929 121.5621 57.7187 41.8621 179.3926 101 V 3.3401 7.5739 117.9194 65.8204 31.2205 177.8888 102 K 3.8312 7.6958 117.2385 59.4728 32.1706 179.0489 103 R 3.9656 7.6363 118.5306 59.4706 30.0730 178.2665 104 I 3.8169 7.3484 120.9678 63.9715 36.9271 178.3474 105 Q 3.9805 8.0920 117.2224 58.3856 28.5652 178.3361 106 K 4.2484 7.7761 117.4137 56.2147 32.4166 176.4665 107 E 4.6065 7.4157 119.6243 54.2123 31.4642 175.6518 108 K 4.0931 8.1831 120.0719 56.3459 32.7734 177.9640 109 G 4.0221 7.7897 108.0129 44.3635 0.0000 171.1219 110 K 4.7011 8.4615 120.8551 55.3951 34.9240 176.3011 111 D 4.7920 8.3658 121.6793 54.9989 42.8342 175.5769 112 V 4.8181 8.7954 119.3928 61.0159 34.7848 173.7728 113 W 5.3587 9.0977 135.0000 56.1361 32.3260 174.9610 114 I 4.3638 8.7631 129.6005 60.6082 36.3390 176.3262 115 V 2.9964 8.4582 128.2594 63.2343 31.5153 176.4588 116 G 3.9717 7.0617 105.0571 45.0099 0.0000 171.5825 117 G 4.1608 7.5025 105.7991 43.8517 0.0000 174.0204 118 A 3.9702 8.6285 120.6564 55.4400 18.1731 180.0963 119 K 4.1342 7.9844 115.2931 58.8918 31.2036 179.1655 120 I 4.0403 7.6116 119.9692 64.0055 37.5230 178.0488 121 I 3.8214 7.8484 120.5889 64.4833 36.9222 178.1847 122 D 4.5090 8.4941 120.0571 57.2129 40.7495 177.3099 123 P 4.3003 0.0000 0.0000 65.4037 31.2030 178.7038 124 L 4.0643 7.5277 118.3635 57.4955 41.4437 179.6001 125 V 3.6735 7.8998 118.2808 66.0585 31.3321 177.7045 126 Q 3.9754 8.1454 117.9943 59.2267 28.9856 177.7005 127 A 4.1967 7.9528 118.3948 51.6434 18.8711 176.3736 128 N 4.2054 8.1900 115.1432 54.7445 37.8392 174.4325 129 L 4.4940 8.1279 114.6578 54.2956 42.4995 176.8887 130 I 4.0873 7.4374 120.5072 60.6238 38.2676 175.0903 131 D 4.7098 9.1006 125.5022 56.2991 42.5254 176.7798 132 T 5.1094 7.6594 114.2941 61.9217 72.5237 172.4908 133 Y 5.0157 9.5621 124.7037 56.5951 40.4855 174.9041 134 I 4.8130 9.2369 126.7702 59.7002 39.1296 174.1024 135 L 4.9184 8.9050 127.9189 53.2757 43.9131 175.7863 136 T 4.4333 8.5475 121.9815 62.0788 70.5751 173.7829 137 T 4.6797 8.5782 124.6108 62.0273 70.3341 174.2742 138 V 4.3114 8.3280 126.8922 60.7909 32.7334 175.1837 139 P 4.5910 0.0000 0.0000 60.9612 29.7456 175.0986 140 I 4.3528 6.9652 120.9377 60.6174 41.3574 172.9286 141 F 4.9271 8.7751 126.3089 56.3900 39.4786 175.5927 142 L 3.8049 9.4087 129.4098 55.6997 42.1012 177.6291 143 G 4.0055 9.8476 106.6572 45.2923 0.0000 172.5807 144 S 4.1131 5.9781 110.5378 58.1078 65.5555 174.0165 145 G 3.6000 7.9756 104.5007 44.3168 0.0000 173.7814 146 I 4.4348 8.7436 125.0267 59.8683 38.8059 175.1091 147 R 4.7578 8.6869 128.1560 55.1959 31.0768 175.3303 148 L 4.1513 8.1313 127.9204 54.0783 43.6123 175.6945 149 F 4.1165 8.3144 120.6882 58.2365 37.1261 176.7481 150 D 4.5090 8.3935 120.0607 56.9078 41.0773 177.5556 151 R 4.6682 7.2978 117.9671 55.6016 29.7563 173.9041 152 L 4.0938 8.1970 123.3274 55.2836 42.2288 177.9111 153 E 4.0092 8.3172 115.7661 56.4600 27.0070 173.5556 154 E 4.6485 7.4635 116.0478 55.0452 32.9753 174.3147 155 Q 4.2346 8.5523 125.0806 55.3010 29.5729 176.2040 156 V 4.2254 7.8436 122.4062 59.8380 31.7807 172.6511 157 P 4.3230 0.0000 0.0000 62.2147 31.9665 175.9531 158 V 4.6199 7.7758 113.4135 60.0096 36.4001 174.3825 159 R 4.7416 8.7747 119.4797 54.4273 33.2038 175.2849 160 L 4.2329 8.6987 125.9313 55.1597 42.1734 176.0764 161 I 4.2313 8.5203 127.5817 63.2625 38.5752 175.3233 162 D 4.6962 7.5739 118.3854 53.7166 44.5044 174.7411 163 V 5.1003 8.2717 120.9889 60.7719 34.5872 173.0596 164 Y 5.0054 8.6059 120.3867 56.4464 41.9005 172.7447 165 Q 5.3595 8.8789 117.5010 54.4287 31.1713 175.3081 166 K 4.6240 8.9186 121.0967 55.9445 35.5832 176.2355 167 N 4.7590 9.7434 119.7076 53.4708 36.1625 175.4491 168 E 4.0228 8.5896 113.8809 56.5771 27.4235 174.0882 169 L 4.6240 7.9527 120.4159 53.6109 43.6950 175.6959 170 V 4.5050 8.2438 123.8975 61.9050 33.3693 174.0287 171 Y 4.7003 8.9328 126.5171 56.5659 39.6740 174.7322 172 S 4.8467 8.8514 121.6164 56.6258 65.7506 173.3278 173 I 4.9583 8.4603 126.1100 59.8553 39.2914 174.4586 174 Y 5.2664 9.3005 124.8800 56.1805 41.6928 174.5749 175 Q 5.2435 9.3331 122.1983 53.8721 32.8892 174.4958 176 R 4.1929 8.9407 125.4288 56.8367 30.7020 176.6278 177 G 3.7782 8.7134 113.4996 45.9608 0.0000 173.1092 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 A 8.26 4.20 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 3 R 8.40 3.98 0.00 1.76 1.88 0.00 3.44 0.00 0.00 3.35 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.70 0.00 4 K 9.15 4.52 0.00 1.79 1.70 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.52 7.81 5 V 9.00 4.62 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 0.98 0.00 0.00 0.88 0.00 0.00 6 I 8.96 5.00 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 1.12 0.59 0.96 0.00 0.00 7 L 8.85 5.07 0.00 1.74 1.47 1.13 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 F 9.46 5.38 0.00 2.85 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 9 I 8.44 4.84 2.04 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 1.20 1.47 1.02 0.00 0.00 10 A 8.69 5.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *12 S 8.29 4.33 0.00 4.23 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 13 I 8.05 3.52 0.79 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 1.09 0.47 0.47 0.00 0.00 14 D 7.86 4.67 0.00 2.82 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 15 N 8.03 4.19 0.00 2.86 2.86 0.00 0.00 6.98 7.04 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 16 Y 7.79 5.08 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.70 4.57 1.96 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 0.71 0.97 0.00 0.00 18 A 7.72 5.08 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 19 D 8.90 4.96 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.53 4.39 0.00 2.61 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 21 Q 8.79 4.24 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 22 G 8.47 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.60 4.55 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.00 4.28 1.65 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 0.77 0.00 0.00 0.81 0.00 0.00 25 D 8.24 4.37 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 8.09 4.40 0.00 3.63 3.27 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 27 L 6.68 3.62 0.00 1.34 1.37 0.55 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.84 3.90 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 29 K 7.59 4.10 0.00 1.97 2.06 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.57 7.81 30 N 7.49 4.85 0.00 2.92 2.87 0.00 0.00 6.93 8.82 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 31 V 7.51 3.84 2.16 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 0.82 0.00 0.00 0.92 0.00 0.00 32 H 9.63 4.63 0.00 3.20 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.87 4.59 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 0.00 0.00 0.00 34 T 8.04 4.62 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 35 E 8.38 4.20 0.00 2.17 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 2.36 2.27 0.00 36 S 8.37 4.39 0.00 3.98 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 37 D 8.43 4.85 0.00 2.58 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 38 D 8.40 4.86 0.00 2.82 2.83 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 39 S 8.62 4.17 0.00 4.39 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.28 3.38 0.00 2.79 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 41 E 8.20 3.83 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 1.87 0.00 42 K 8.22 4.01 0.00 2.04 1.84 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *44 Y 7.88 3.90 0.00 2.25 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 45 S 7.67 4.21 0.00 3.96 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 46 K 7.45 4.14 0.00 1.61 1.98 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.43 7.81 47 I 6.80 4.73 1.87 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 0.98 0.13 0.81 0.00 0.00 48 D 8.83 4.90 0.00 2.75 2.83 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 49 T 7.65 5.18 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 1.39 0.00 0.00 50 V 9.09 4.81 1.64 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 0.55 0.00 0.00 0.90 0.00 0.00 51 I 7.93 5.07 1.77 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.22 0.82 0.00 0.00 *53 G 8.39 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 54 R 8.50 4.03 0.00 2.00 2.03 0.00 3.25 0.00 0.00 3.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 55 T 7.86 3.95 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 1.24 0.00 0.00 56 T 8.02 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 57 Y 8.09 4.30 0.00 3.02 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.12 3.78 0.00 2.23 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 2.31 2.55 0.00 59 Q 8.49 3.78 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 60 V 7.81 3.65 2.44 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 1.03 0.00 0.00 1.12 0.00 0.00 61 T 7.35 4.39 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 0.65 0.00 0.00 62 Q 7.48 4.26 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.44 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 63 K 7.84 4.28 0.00 1.78 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.32 1.23 7.81 *68 K 7.54 4.17 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 69 Y 8.42 4.51 0.00 2.94 2.90 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 70 V 8.19 3.40 1.72 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 -0.66 0.00 0.00 0.56 0.00 0.00 71 Y 5.65 5.26 0.00 2.79 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 72 A 7.32 4.16 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 73 D 8.09 4.74 0.00 2.86 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 74 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0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.00 4.18 0.00 1.48 1.48 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.25 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 0.00 0.00 0.00 85 E 8.01 4.29 0.00 1.93 1.89 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 2.23 2.25 0.00 86 D 8.54 4.90 0.00 2.72 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 87 T 8.46 4.77 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 1.25 0.00 0.00 88 D 8.90 4.50 0.00 2.79 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 89 K 7.90 4.60 0.00 1.86 1.89 0.00 2.05 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.40 7.81 90 I 7.58 4.77 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 1.14 0.75 0.37 0.00 0.00 91 K 8.72 4.98 0.00 1.16 1.70 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.86 1.19 7.81 92 Y 9.53 4.89 0.00 2.90 2.93 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 93 W 9.73 5.06 0.00 3.51 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 94 K 8.19 4.52 0.00 1.77 1.79 0.00 1.09 0.00 0.00 1.28 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.97 1.09 7.81 95 Q 5.99 4.34 0.00 1.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.14 1.93 0.00 96 S 8.48 4.55 0.00 4.13 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.18 0.00 2.29 2.38 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 98 V 8.02 3.61 2.12 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 1.03 0.00 0.00 0.95 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 108 K 8.18 4.09 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 109 G 7.79 4.02 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 0.00 0.00 0.00 110 K 8.46 4.70 0.00 1.54 1.92 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.36 7.81 111 D 8.37 4.79 0.00 2.69 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 0.00 112 V 8.80 4.82 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 0.94 0.00 0.00 0.88 0.00 0.00 113 W 9.10 5.36 0.00 3.34 2.96 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 0.00 0.00 0.00 114 I 8.76 4.36 1.92 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 1.14 0.94 0.88 0.00 0.00 115 V 8.46 3.00 1.75 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 0.44 0.00 0.00 -0.67 0.00 0.00 116 G 7.06 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 0.00 117 G 7.50 4.16 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 0.00 118 A 8.63 3.97 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 0.00 119 K 7.98 4.13 0.00 1.77 1.92 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 120 I 7.61 4.04 1.98 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 1.66 1.21 0.89 0.00 0.00 121 I 7.85 3.82 1.87 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 1.57 0.99 1.05 0.00 0.00 122 D 8.49 4.51 0.00 2.79 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 0.00 123 P 0.00 4.30 0.00 2.11 2.14 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 124 L 7.53 4.06 0.00 2.01 1.70 0.92 0.72 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 0.00 125 V 7.90 3.67 2.36 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 1.11 0.00 0.00 1.30 0.00 0.00 126 Q 8.15 3.98 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 127 A 7.95 4.20 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 0.00 128 N 8.19 4.21 0.00 2.83 2.89 0.00 0.00 7.06 7.70 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 0.00 129 L 8.13 4.49 0.00 1.76 1.65 0.90 1.03 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 0.00 130 I 7.44 4.09 1.21 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 0.02 0.00 0.00 131 D 9.10 4.71 0.00 2.70 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 0.00 132 T 7.66 5.11 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 1.31 0.00 0.00 133 Y 9.56 5.02 0.00 3.05 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 0.00 134 I 9.24 4.81 2.05 0.00 0.00 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 1.39 1.33 1.05 0.00 0.00 135 L 8.91 4.92 0.00 1.71 1.68 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 136 T 8.55 4.43 3.86 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 0.38 0.00 0.00 137 T 8.58 4.68 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 1.14 0.00 0.00 138 V 8.33 4.31 2.34 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 0.92 0.00 0.00 0.88 0.00 0.00 139 P 0.00 4.59 0.00 2.25 2.09 0.00 4.01 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 140 I 6.97 4.35 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.13 1.07 0.00 0.00 141 F 8.78 4.93 0.00 3.02 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 0.00 142 L 9.41 3.80 0.00 1.04 1.31 -0.42 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 143 G 9.85 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 0.00 144 S 5.98 4.11 0.00 3.74 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.98 3.60 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 0.00 0.00 0.00 146 I 8.74 4.43 1.97 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 1.16 0.76 0.96 0.00 0.00 147 R 8.69 4.76 0.00 1.66 1.78 0.00 3.10 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 148 L 8.13 4.15 0.00 1.40 0.95 0.69 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.31 4.12 0.00 3.26 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 0.00 150 D 8.39 4.51 0.00 2.61 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 0.00 151 R 7.30 4.67 0.00 1.78 1.79 0.00 3.30 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 152 L 8.20 4.09 0.00 1.76 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.32 4.01 0.00 2.12 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 2.23 2.49 0.00 154 E 7.46 4.65 0.00 2.01 1.76 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 2.43 2.32 0.00 155 Q 8.55 4.23 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 156 V 7.84 4.23 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 0.82 0.00 0.00 0.95 0.00 0.00 157 P 0.00 4.32 0.00 2.05 1.92 0.00 3.64 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 2.00 2.06 0.00 158 V 7.78 4.62 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 0.45 0.00 0.00 0.41 0.00 0.00 159 R 8.77 4.74 0.00 1.75 1.82 0.00 3.30 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 160 L 8.70 4.23 0.00 1.64 1.54 0.23 0.97 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 0.00 161 I 8.52 4.23 1.98 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 1.15 1.02 0.93 0.00 0.00 162 D 7.57 4.70 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 8.27 5.10 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 0.76 0.00 0.00 0.94 0.00 0.00 164 Y 8.61 5.01 0.00 3.09 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 0.00 165 Q 8.88 5.36 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 166 K 8.92 4.62 0.00 2.01 1.83 0.00 2.02 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.71 7.81 167 N 9.74 4.76 0.00 2.97 3.00 0.00 0.00 7.69 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 0.00 168 E 8.59 4.02 0.00 2.23 2.16 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 2.21 2.36 0.00 169 L 7.95 4.62 0.00 1.92 1.31 0.98 0.89 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 0.00 170 V 8.24 4.51 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 0.91 0.00 0.00 0.90 0.00 0.00 171 Y 8.93 4.70 0.00 1.43 2.44 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 0.00 172 S 8.85 4.85 0.00 3.79 3.58 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 0.00 173 I 8.46 4.96 1.87 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.98 0.00 0.00 174 Y 9.30 5.27 0.00 2.77 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 0.00 175 Q 9.33 5.24 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 176 R 8.94 4.19 0.00 2.13 1.92 0.00 3.49 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 177 G 8.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.