NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3794 8.1733 120.0642 56.4310 34.4406 173.9328 2 N 5.4537 9.0188 119.3350 51.3258 41.1750 172.5553 3 A 5.3512 10.1024 124.7501 50.4405 23.6788 174.8042 4 S 5.1513 8.8732 114.3306 56.7346 67.7613 173.3180 5 V 4.9596 8.8200 121.6968 61.2446 34.4373 174.2924 6 I 5.0633 8.9394 127.9336 59.7831 40.3985 174.4541 7 T 4.9762 9.1030 123.2667 61.7330 71.3354 173.1061 8 V 4.6728 9.7762 127.1028 60.0280 33.8343 174.4516 9 G 4.8807 8.4693 127.0139 44.3083 0.0000 172.6248 10 N 4.3324 8.4218 124.2383 56.4543 38.6553 177.3555 11 E 4.0219 8.1548 118.5082 59.2141 29.7091 179.2866 12 I 3.9563 7.5290 120.6133 64.3808 37.0369 178.1969 13 L 4.0411 7.9011 117.7982 57.7418 41.6086 178.9259 14 K 4.3184 8.1284 115.3137 55.9229 32.2575 177.2272 15 G 3.9533 7.9174 107.2613 46.6800 0.0000 175.7645 16 R 4.1111 8.2934 121.6274 58.1033 30.3601 177.7025 17 T 4.6151 7.4690 112.9044 61.2283 71.7652 173.8368 18 V 3.7599 8.2665 125.8072 62.8204 32.8865 176.8204 19 N 4.7296 8.4497 125.3133 53.2016 35.4678 175.6714 20 T 4.0566 7.6961 115.4251 64.3936 69.4936 176.2684 21 N 4.2859 8.2704 118.7253 56.3885 38.6482 176.8857 22 A 4.0566 8.5100 121.6265 55.0006 18.3309 179.5945 23 A 3.9240 7.7334 117.9302 55.2793 18.4477 179.5558 24 F 3.9813 8.3936 119.1872 61.4754 39.3628 177.2701 25 I 3.8928 8.4575 119.8712 64.4356 36.8999 178.4347 26 G 3.7512 8.6487 106.7341 47.9871 0.0000 175.0499 27 N 4.2851 8.3405 119.8298 56.2080 39.0140 176.5751 28 F 3.9621 8.2589 122.3283 61.3486 39.4480 177.1155 29 L 4.1335 8.4603 118.8036 58.1058 41.3542 179.5422 30 T 4.1813 8.2398 117.3400 66.3809 68.2222 175.8058 31 Y 4.0834 8.0999 120.2845 61.0749 38.8195 177.2815 32 H 4.2792 7.7709 113.3753 56.0122 28.9851 176.0532 33 G 3.8659 8.1176 109.8955 45.0184 0.0000 173.2515 34 Y 4.5082 8.0645 117.9570 57.3195 39.7093 174.8978 35 Q 4.4616 9.1520 123.4524 55.4332 29.9922 175.5351 36 V 4.2579 8.4499 125.5885 62.7463 31.4141 175.4946 37 R 4.2825 9.6296 130.6505 58.8241 30.6613 176.6456 38 R 4.6569 7.7967 114.6135 54.5196 35.1475 174.3535 39 G 4.3901 8.3360 107.7248 44.4830 0.0000 171.9229 40 F 5.0838 9.2854 123.0567 55.4740 42.1803 174.5080 41 V 4.9578 8.6384 122.4437 61.3177 33.6927 174.8263 42 V 4.7574 8.9034 120.2045 59.5063 36.2051 175.0701 43 M 4.6327 8.6041 121.4896 55.3407 33.0754 177.4802 44 D 4.8164 8.8860 121.4162 53.5324 39.2564 174.0712 45 D 4.5822 7.8952 119.6354 51.4430 44.7207 175.9855 46 L 4.1067 8.7447 127.8617 59.0164 40.5875 179.1013 47 D 4.4120 8.2174 119.4135 57.1375 40.8802 178.2197 48 E 4.1344 8.5457 119.1787 59.6044 29.4359 179.5403 49 I 3.8865 8.2552 120.0640 64.3550 37.1955 178.6579 50 G 3.7802 8.6173 106.9751 47.5992 0.0000 175.5179 51 W 4.1123 8.5043 130.4944 60.1110 30.7472 177.9276 52 A 2.5800 8.0560 120.6511 54.7703 17.6839 179.5325 53 F 4.0049 8.0398 116.3555 60.5531 38.7108 177.9494 54 R 3.7845 7.5696 117.2523 59.4165 30.3934 178.4475 55 V 3.5608 7.2320 117.7625 65.7474 31.4219 177.5276 56 A 3.9845 7.5040 120.8818 55.4641 17.7521 179.6972 57 L 4.0129 8.0777 117.3377 57.8457 41.3933 179.4198 58 E 3.7961 7.9028 118.3662 58.3278 29.6716 177.6379 59 V 4.3097 7.4581 109.1457 60.9712 32.5214 174.8800 60 S 4.7775 7.5680 113.4078 57.1741 66.2864 173.1499 61 D 4.8311 8.9775 118.9854 54.7443 42.8807 176.6192 62 L 5.1730 7.8867 120.0496 53.0581 45.5858 175.2710 63 V 4.9244 8.9012 125.7166 61.0283 34.9230 174.0992 64 V 4.9795 8.6746 127.3066 61.0573 33.7996 174.2816 65 S 5.4186 9.3192 122.6693 56.5651 66.2179 173.1039 66 S 5.3003 8.4639 115.1154 56.6376 66.3869 174.3070 67 G 4.2124 8.3039 106.7703 47.9563 0.0000 173.0089 68 G 4.1047 8.6005 105.2602 46.5164 0.0000 174.9588 69 L 4.6145 7.9827 117.6027 54.0326 43.0122 177.7871 70 G 3.8889 7.8989 107.8865 44.5384 0.0000 172.2334 71 P 4.6980 0.0000 0.0000 62.4016 31.5221 175.7645 72 T 4.4372 7.9417 109.4541 60.5950 70.5150 175.2134 73 F 4.7439 8.4703 119.9665 58.4769 39.3017 176.6757 74 D 4.4738 7.6328 120.5830 56.2975 40.4278 176.5179 75 D 4.6957 7.9367 120.1075 53.8234 39.6108 176.2066 76 M 4.8077 8.2653 121.5575 54.7828 32.9746 177.2239 77 T 4.0358 7.7874 117.9851 67.0025 68.6467 176.4436 78 V 3.6776 7.8379 119.3237 66.0864 31.5644 177.6426 79 E 4.0954 8.3521 118.0335 59.4042 29.3539 179.4557 80 G 3.6891 8.5363 106.0172 47.6847 0.0000 175.5242 81 F 3.7214 8.5642 123.1667 60.8894 39.3129 177.0973 82 A 3.6973 8.2271 120.6439 54.7820 18.1930 179.5483 83 K 3.7925 8.1851 118.3016 59.6232 32.0815 178.3077 84 C 3.9382 7.7393 117.9819 62.5077 31.5755 175.1040 85 I 3.9392 7.0648 110.7129 60.1366 37.7261 175.4802 86 G 3.8328 7.6399 107.9769 47.2327 0.0000 173.7371 87 Q 4.6269 7.7994 117.0632 53.3395 31.8564 175.7567 88 D 4.6166 8.4129 121.2504 54.2257 41.7301 176.1461 89 L 4.5001 8.4055 121.6410 54.8137 42.8387 176.5679 90 R 4.7560 8.8743 121.0681 54.0431 34.3956 174.9258 91 I 4.2211 8.4265 123.4048 61.6907 37.8277 174.8407 92 D 4.6574 9.2713 128.2330 53.1095 42.1742 177.0436 93 E 3.9923 8.9468 126.3571 59.2663 29.7441 178.5039 94 D 4.3185 8.1444 118.3233 57.4028 40.9283 178.3557 95 A 3.9805 8.7716 121.5170 55.1345 18.3780 179.3777 96 L 3.8806 8.3704 118.9403 58.2182 42.0270 179.0125 97 A 4.0054 8.3500 121.0412 55.3963 17.9672 179.1993 98 M 3.9487 8.1350 117.1535 58.8401 31.7226 178.8557 99 I 3.7398 8.0271 119.8083 64.5603 37.3568 178.4568 100 K 4.0220 8.1532 118.9739 59.7651 31.6736 178.9091 101 K 3.8251 7.6153 117.0954 59.7572 32.0961 178.8008 102 K 3.7750 7.4332 118.0369 59.3888 32.1188 177.7891 103 Y 4.7067 7.6458 113.6734 57.4421 39.1838 175.2820 104 G 4.1207 8.1681 108.2961 45.0960 0.0000 174.0486 *108 L 3.7461 7.4861 118.3702 54.9546 41.3698 177.2878 109 T 4.0904 7.9326 113.9352 60.5441 70.8195 173.1745 110 P 4.2433 0.0000 0.0000 66.0998 30.9069 178.9985 111 Q 3.3702 7.9311 116.0419 58.4160 28.5406 179.0154 112 R 3.8625 7.3467 117.9288 59.1521 30.1537 178.4291 113 L 3.9242 7.9742 120.2354 58.1874 41.9325 178.6130 114 K 3.8215 8.2310 119.5152 60.2367 31.7773 178.1762 115 M 4.2231 8.0508 116.7889 57.1680 32.1557 177.3414 116 A 4.5731 8.1537 120.5588 50.9186 19.1797 176.0010 117 K 5.0129 7.5752 118.9038 55.4260 32.9867 176.4846 118 I 4.9080 9.0867 118.5910 58.2065 41.6085 173.1295 119 P 5.0485 0.0000 0.0000 61.9889 32.2815 175.5110 120 P 4.4237 0.0000 0.0000 65.1570 31.5945 177.5333 121 S 4.3495 8.1052 115.3647 60.1810 63.1929 172.6987 122 C 5.3935 7.7479 117.5515 55.2888 43.1949 173.4270 123 R 4.7607 8.9664 122.4060 54.1410 31.6272 174.1730 124 P 4.9415 0.0000 0.0000 62.5570 33.0101 175.4303 125 I 4.5333 8.7448 122.6735 59.1711 40.0651 174.7865 126 E 4.1977 8.8773 128.3270 56.2192 30.3205 175.8558 127 N 4.5949 8.6459 125.0568 51.8089 38.7337 173.6116 128 P 4.2526 0.0000 0.0000 63.9762 32.0761 176.7809 129 V 4.2041 7.7211 117.5643 63.6906 33.8413 174.8230 130 G 4.2821 8.5407 109.4997 44.6122 0.0000 172.5723 131 T 4.0766 8.5168 115.1579 65.1835 69.8327 175.0066 132 A 4.1211 7.7603 122.5519 51.3123 18.6416 175.4917 133 P 4.4184 0.0000 0.0000 62.5272 32.3793 176.8962 134 G 3.9038 8.6826 110.3762 46.1564 0.0000 172.2433 135 L 5.3236 8.7350 119.8371 52.6978 45.4952 175.7716 136 I 4.9049 8.5944 123.5788 59.7513 39.9248 174.0947 137 C 5.5409 9.5804 123.4093 55.0353 44.5087 172.6165 138 A 5.1293 8.5288 123.4293 50.3139 20.7728 176.8228 139 V 4.1612 8.5565 122.6431 61.3222 33.2043 176.0361 140 G 3.6665 8.2662 119.9160 47.0222 0.0000 172.9461 141 G 3.9045 8.8281 114.0851 45.5115 0.0000 172.7604 142 K 4.7215 8.0858 120.2178 54.9144 34.8877 175.4812 143 K 5.1895 8.9425 120.3196 54.7115 35.9824 175.7050 144 V 4.8067 8.8391 123.6184 61.1049 34.8429 174.0500 145 I 4.8341 8.8753 128.4520 59.4988 40.2108 174.4111 146 I 4.8407 8.7502 127.8031 58.6237 39.8287 174.6800 147 L 5.0429 8.6743 126.8202 51.9106 45.3100 174.9851 148 P 4.6287 0.0000 0.0000 62.6070 31.8887 177.0569 149 G 3.6938 8.3644 108.2304 47.2210 0.0000 175.0400 150 V 3.6623 7.6116 120.7167 61.9974 32.4215 174.1776 151 P 4.2305 0.0000 0.0000 66.0008 31.2692 178.7655 152 K 3.9309 7.8593 116.4169 59.1845 31.4439 179.2914 153 E 3.8321 7.9054 118.5241 59.4164 29.4884 178.4722 154 M 3.8941 8.1119 118.5854 58.8063 32.2446 178.0934 155 E 3.2955 8.1349 118.4868 59.1656 29.4972 179.2032 156 A 3.9415 7.6991 120.6975 55.0659 18.1848 179.5186 157 L 3.8269 7.7292 117.8333 58.0652 42.5119 178.5898 158 L 3.9465 8.0108 120.5663 58.0073 42.1347 178.9804 159 K 4.0369 8.0512 118.2010 59.5792 31.8138 178.9929 160 A 4.1205 8.0213 119.8627 54.8638 18.3722 178.5453 161 M 4.4629 7.5976 115.6305 55.2988 32.2469 177.4940 162 E 4.1218 8.0944 122.6170 59.6882 29.5995 179.2352 163 K 4.0769 8.0713 116.0878 59.0592 32.1986 178.3079 164 D 4.5629 8.0443 118.1266 56.1313 40.8973 177.7321 165 I 4.3503 7.7464 119.8155 61.7344 38.0867 176.5817 166 I 3.7384 7.4401 120.2402 61.8282 37.3711 175.9046 167 I 3.9633 8.2666 125.0261 61.4906 37.0621 175.6707 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 K 8.17 4.38 0.00 1.37 1.91 0.00 1.50 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.39 7.81 2 N 9.02 5.45 0.00 2.73 2.77 0.00 0.00 6.96 6.20 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 3 A 10.10 5.35 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.87 5.15 0.00 3.84 3.96 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 5 V 8.82 4.96 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 1.01 0.00 0.00 0.96 0.00 0.00 6 I 8.94 5.06 1.49 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.38 0.61 0.00 0.00 7 T 9.10 4.98 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 1.28 0.00 0.00 8 V 9.78 4.67 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 1.04 0.00 0.00 0.92 0.00 0.00 9 G 8.47 4.88 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 0.00 0.00 0.00 10 N 8.42 4.33 0.00 2.73 2.91 0.00 0.00 6.32 9.01 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 11 E 8.15 4.02 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 12 I 7.53 3.96 2.01 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 1.16 0.93 0.00 0.00 13 L 7.90 4.04 0.00 1.78 1.76 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.13 4.32 0.00 1.74 1.85 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 15 G 7.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.29 4.11 0.00 1.88 2.00 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 17 T 7.47 4.62 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 1.21 0.00 0.00 18 V 8.27 3.76 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 0.77 0.00 0.00 0.94 0.00 0.00 19 N 8.45 4.73 0.00 2.81 2.72 0.00 0.00 6.91 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 20 T 7.70 4.06 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 1.22 0.00 0.00 21 N 8.27 4.29 0.00 2.84 2.93 0.00 0.00 7.04 7.93 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 22 A 8.51 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.73 3.92 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 24 F 8.39 3.98 0.00 3.19 3.15 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 0.00 25 I 8.46 3.89 1.94 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 1.52 0.79 0.95 0.00 0.00 26 G 8.65 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 0.00 0.00 0.00 27 N 8.34 4.29 0.00 2.81 2.75 0.00 0.00 6.90 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 28 F 8.26 3.96 0.00 2.73 3.07 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 29 L 8.46 4.13 0.00 1.92 1.73 0.87 0.69 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 30 T 8.24 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 1.24 0.00 0.00 31 Y 8.10 4.08 0.00 2.79 3.06 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 0.00 0.00 0.00 32 H 7.77 4.28 0.00 3.40 3.39 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.12 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 0.00 0.00 0.00 34 Y 8.06 4.51 0.00 3.12 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 35 Q 9.15 4.46 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 36 V 8.45 4.26 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 0.76 0.00 0.00 1.04 0.00 0.00 37 R 9.63 4.28 0.00 1.85 2.08 0.00 3.31 0.00 0.00 3.42 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 38 R 7.80 4.66 0.00 1.71 1.18 0.00 3.10 0.00 0.00 2.88 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.53 0.00 39 G 8.34 4.39 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 0.00 40 F 9.29 5.08 0.00 2.81 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 41 V 8.64 4.96 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 0.86 0.00 0.00 0.97 0.00 0.00 42 V 8.90 4.76 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 1.05 0.00 0.00 1.04 0.00 0.00 43 M 8.60 4.63 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.68 0.00 44 D 8.89 4.82 0.00 2.66 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 45 D 7.90 4.58 0.00 2.69 2.50 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 46 L 8.74 4.11 0.00 2.02 1.98 0.96 0.85 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 47 D 8.22 4.41 0.00 2.87 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 48 E 8.55 4.13 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 49 I 8.26 3.89 2.16 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 1.30 0.00 0.00 50 G 8.62 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 51 W 8.50 4.11 0.00 3.48 3.46 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 52 A 8.06 2.58 0.90 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 0.00 0.00 53 F 8.04 4.00 0.00 3.07 3.06 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 0.00 0.00 0.00 54 R 7.57 3.78 0.00 1.85 1.98 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 55 V 7.23 3.56 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 1.06 0.00 0.00 0.55 0.00 0.00 56 A 7.50 3.98 1.03 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 0.00 0.00 57 L 8.08 4.01 0.00 1.90 1.75 1.06 1.08 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 58 E 7.90 3.80 0.00 2.11 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 0.00 2.34 2.41 0.00 59 V 7.46 4.31 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 0.82 0.00 0.00 1.11 0.00 0.00 60 S 7.57 4.78 0.00 4.16 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 0.00 61 D 8.98 4.83 0.00 2.86 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 62 L 7.89 5.17 0.00 1.72 1.30 0.91 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.90 4.92 2.17 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 0.91 0.00 0.00 0.97 0.00 0.00 64 V 8.67 4.98 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 0.81 0.00 0.00 0.88 0.00 0.00 65 S 9.32 5.42 0.00 3.75 3.71 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 66 S 8.46 5.30 0.00 4.01 3.92 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 67 G 8.30 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.60 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.98 4.61 0.00 1.62 1.68 0.95 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 70 G 7.90 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 71 P 0.00 4.70 0.00 2.13 2.16 0.00 3.34 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 72 T 7.94 4.44 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 1.19 0.00 0.00 73 F 8.47 4.74 0.00 3.08 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 74 D 7.63 4.47 0.00 2.59 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 75 D 7.94 4.70 0.00 2.96 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 76 M 8.27 4.81 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.68 0.00 77 T 7.79 4.04 4.42 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 1.46 0.00 0.00 78 V 7.84 3.68 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 1.25 0.00 0.00 0.95 0.00 0.00 79 E 8.35 4.10 0.00 2.29 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 2.45 2.45 0.00 80 G 8.54 3.69 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 0.00 0.00 0.00 81 F 8.56 3.72 0.00 2.16 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 82 A 8.23 3.70 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 83 K 8.19 3.79 0.00 2.01 1.91 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 84 C 7.74 3.94 0.00 3.12 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 85 I 7.06 3.94 1.61 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.47 0.40 0.00 0.00 86 G 7.64 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 87 Q 7.80 4.63 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.49 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 88 D 8.41 4.62 0.00 2.55 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 89 L 8.41 4.50 0.00 1.55 1.62 0.96 0.85 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 90 R 8.87 4.76 0.00 1.69 1.77 0.00 3.13 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 91 I 8.43 4.22 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 0.48 0.92 0.00 0.00 92 D 9.27 4.66 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.95 3.99 0.00 2.08 1.93 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 2.38 2.40 0.00 94 D 8.14 4.32 0.00 2.99 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 95 A 8.77 3.98 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 96 L 8.37 3.88 0.00 1.84 1.91 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.35 4.01 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 98 M 8.14 3.95 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 99 I 8.03 3.74 1.95 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 1.72 1.20 1.13 0.00 0.00 100 K 8.15 4.02 0.00 2.02 1.90 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.69 7.81 101 K 7.62 3.83 0.00 1.81 1.83 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.63 7.81 102 K 7.43 3.78 0.00 1.41 1.43 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.49 7.81 103 Y 7.65 4.71 0.00 2.93 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 0.00 104 G 8.17 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 0.00 0.00 0.00 *108 L 7.49 3.75 0.00 1.53 1.51 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.93 4.09 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 1.12 0.00 0.00 110 P 0.00 4.24 0.00 2.31 2.27 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 111 Q 7.93 3.37 0.00 1.88 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 112 R 7.35 3.86 0.00 1.84 1.77 0.00 2.81 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 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 0.00 0.00 0.00 122 C 7.75 5.39 0.00 2.85 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 0.00 123 R 8.97 4.76 0.00 1.70 1.83 0.00 3.11 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 124 P 0.00 4.94 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.19 0.00 125 I 8.74 4.53 1.84 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 1.09 1.00 0.89 0.00 0.00 126 E 8.88 4.20 0.00 1.96 1.83 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 2.26 2.28 0.00 127 N 8.65 4.59 0.00 2.88 2.78 0.00 0.00 6.92 7.71 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 0.00 128 P 0.00 4.25 0.00 2.19 2.13 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 129 V 7.72 4.20 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 0.75 0.00 0.00 0.88 0.00 0.00 130 G 8.54 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 0.00 0.00 0.00 0.00 131 T 8.52 4.08 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 1.01 0.00 0.00 132 A 7.76 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.42 0.00 1.93 2.05 0.00 3.67 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 2.02 2.08 0.00 134 G 8.68 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.73 5.32 0.00 1.42 1.42 0.87 0.97 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 0.00 136 I 8.59 4.90 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.89 0.00 0.00 137 C 9.58 5.54 0.00 2.70 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 0.00 138 A 8.53 5.13 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 0.00 139 V 8.56 4.16 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 0.97 0.00 0.00 1.12 0.00 0.00 140 G 8.27 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 0.00 141 G 8.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.09 4.72 0.00 1.88 1.89 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.43 7.81 143 K 8.94 5.19 0.00 1.67 1.65 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 144 V 8.84 4.81 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.05 0.00 0.00 145 I 8.88 4.83 1.82 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 1.19 0.48 0.86 0.00 0.00 146 I 8.75 4.84 1.74 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.92 0.00 0.00 147 L 8.67 5.04 0.00 1.59 1.46 0.86 0.89 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 0.00 148 P 0.00 4.63 0.00 1.99 1.95 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 149 G 8.36 3.69 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 0.00 0.00 0.00 150 V 7.61 3.66 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 1.09 0.00 0.00 0.90 0.00 0.00 151 P 0.00 4.23 0.00 2.11 2.00 0.00 3.60 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 152 K 7.86 3.93 0.00 1.69 1.78 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.42 7.81 153 E 7.91 3.83 0.00 2.09 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 2.40 2.30 0.00 154 M 8.11 3.89 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 155 E 8.13 3.30 0.00 1.64 1.46 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 1.47 1.66 0.00 156 A 7.70 3.94 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 0.00 157 L 7.73 3.83 0.00 1.81 1.62 0.91 0.87 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 0.00 158 L 8.01 3.95 0.00 1.68 1.43 0.77 0.50 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 0.00 159 K 8.05 4.04 0.00 1.89 1.96 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.71 1.68 7.81 160 A 8.02 4.12 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 0.00 161 M 7.60 4.46 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.51 0.00 162 E 8.09 4.12 0.00 2.47 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 0.00 2.39 2.58 0.00 163 K 8.07 4.08 0.00 1.80 1.89 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.58 7.81 164 D 8.04 4.56 0.00 2.91 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 0.00 165 I 7.75 4.35 2.11 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 1.85 1.01 1.00 0.00 0.00 166 I 7.44 3.74 1.90 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 1.47 0.64 0.91 0.00 0.00 167 I 8.27 3.96 1.67 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.16 0.77 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.