NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 D 4.5926 8.3493 119.5567 53.2117 41.3917 177.9998 31 S 4.6179 8.5718 117.6091 56.6527 64.9520 171.8230 32 T 4.2966 8.4915 109.8637 61.7049 69.5160 175.5217 33 G 3.9665 7.7029 110.0073 45.4839 0.0000 173.7011 34 L 3.6518 8.3979 119.9113 55.3968 39.1017 174.6857 35 L 4.3845 7.5697 118.3344 54.9574 42.7243 176.7055 36 R 5.2425 9.2066 122.5152 55.2451 32.7887 174.8970 37 Y 5.4301 8.8601 119.3207 55.6953 42.0013 173.8343 38 C 4.9046 8.8917 113.7558 56.9373 33.8592 172.7489 39 V 5.0076 8.9176 119.9586 61.4014 34.1455 174.0862 40 Q 5.1451 9.4974 127.0054 54.0809 31.7471 174.4064 41 K 3.9353 8.8356 125.2000 55.3868 34.0008 174.6679 42 H 5.0750 8.8163 128.1346 53.5914 31.4582 173.3670 43 D 4.9418 8.4544 131.7421 53.6909 39.1095 175.2237 44 A 5.1208 7.1054 122.4540 51.0401 21.0883 176.5980 45 S 4.1325 8.7344 108.6210 61.1070 62.3338 175.9214 46 R 4.5113 7.5527 118.2317 53.6178 31.5561 175.3467 47 L 4.2524 8.4453 125.5797 56.2268 42.7589 175.5356 48 H 5.1971 8.6085 119.7527 55.5210 32.8005 171.3441 49 Y 4.9983 8.7356 115.0509 56.2544 41.4114 174.6467 50 D 5.3651 9.5565 123.9185 52.7447 43.4640 174.9568 51 F 5.2289 9.5412 127.2804 56.6136 41.4802 174.4579 52 R 5.1577 8.9521 125.4001 54.3148 33.8351 174.3753 53 L 4.5402 8.8341 123.9340 52.2274 44.2525 175.6438 54 E 4.6098 9.1314 126.5074 56.5365 30.5348 176.2213 55 L 4.5752 9.5745 128.2876 55.3981 45.7916 174.9045 56 D 4.6881 9.9776 126.4245 55.6268 38.3212 174.5662 57 G 3.9561 8.7944 103.6217 45.7208 0.0000 172.6509 58 T 4.6804 7.7165 112.9221 60.3070 72.0075 172.8054 59 L 5.0026 8.8242 125.5151 52.8877 42.8826 176.3289 60 K 4.1304 8.7920 125.1830 56.4867 33.0733 176.7146 61 S 5.2395 7.9000 119.6342 56.4859 67.3187 172.9437 62 W 5.3106 9.3145 121.9856 54.8742 33.3440 174.0259 63 A 5.0181 9.2925 126.7174 51.1405 20.2132 176.3689 64 V 4.9011 9.2049 124.1311 59.5326 32.0138 174.2441 65 P 4.3571 0.0000 0.0000 64.7434 31.5363 178.2463 66 K 4.4562 8.1207 114.1921 55.5081 32.4741 177.0802 67 G 3.3790 7.9495 105.1467 44.0746 0.0000 172.0788 68 P 4.3705 0.0000 0.0000 62.6945 31.9393 175.3882 69 C 4.8702 8.5373 118.2823 57.8951 34.5628 174.3784 70 L 4.0117 8.7818 124.9618 55.4290 41.7293 175.5871 71 D 5.1550 7.4821 119.6782 51.2829 41.2038 175.3016 72 P 4.4924 0.0000 0.0000 64.4752 31.4776 177.5449 73 A 4.0819 8.3129 120.1649 53.3431 18.6758 177.2949 74 V 4.1148 7.7057 116.8155 61.4041 32.3687 174.9628 75 K 4.6556 8.5244 126.6820 55.0207 33.8100 175.8755 76 R 4.7189 8.5960 123.8855 53.8594 32.7442 175.3216 77 L 3.7918 8.8513 126.1339 55.4895 43.5847 175.6429 78 A 4.7903 8.7729 127.2964 50.3517 22.0587 174.7175 79 V 4.5871 9.1354 123.1652 62.4859 32.9736 175.2297 80 Q 3.8432 9.4505 130.9032 56.5838 29.3928 175.5804 81 V 4.6238 7.7450 120.8329 59.5169 35.1818 174.7258 82 E 4.0118 8.6423 121.8069 56.7622 30.1300 177.6497 83 D 4.6491 8.5656 125.5565 55.0796 41.7325 175.3435 84 H 4.9701 8.8596 118.6718 52.8918 32.6983 172.0224 85 P 4.6522 0.0000 0.0000 62.4388 32.2744 177.2451 86 L 4.0001 8.7459 120.4337 58.4790 41.4308 179.4568 87 D 4.5794 8.1008 117.0739 56.4436 40.7874 177.4916 88 Y 4.1922 8.3672 120.4325 59.8142 38.5560 177.1441 89 A 4.0538 8.0383 120.9553 54.4680 18.4744 177.5702 90 D 4.6246 7.4207 115.0706 53.8873 41.4633 176.3177 91 F 4.1237 7.8014 123.2986 57.7147 39.7802 174.4052 92 E 4.4739 8.6569 126.3138 53.6451 33.7138 176.7152 93 G 3.5620 6.5931 108.5826 45.7423 0.0000 171.1154 94 S 5.2956 8.2548 118.6281 56.8548 65.7550 173.9197 95 I 4.4831 8.6452 125.4987 59.4131 38.3797 173.9622 96 P 4.5933 0.0000 0.0000 62.5948 32.0431 177.9469 97 Q 4.2145 8.2285 122.1509 56.1768 26.0921 177.9551 *99 H 4.8761 7.7925 116.3065 53.5883 30.8593 174.4477 100 Y 4.1818 7.9974 119.8029 60.3606 38.8327 176.1816 101 G 3.5923 7.9051 113.5024 45.6200 0.0000 172.9980 102 A 4.1314 7.6139 122.6739 51.6882 18.6665 178.2890 103 G 4.7501 7.9783 109.3037 44.0549 0.0000 171.7340 104 D 5.0737 8.0747 119.8968 53.9780 42.6394 175.9445 105 V 4.9582 8.9874 121.4315 61.1057 34.7189 174.4383 106 I 4.7305 8.5609 120.4458 58.9299 41.4830 175.0178 107 V 4.2520 9.2565 124.2707 62.0143 31.2542 176.1443 108 W 4.3858 9.2900 135.0000 59.9039 31.3810 175.5898 109 D 4.8291 8.1365 117.2267 53.2502 44.8149 173.9380 110 R 4.1559 7.3443 117.2063 54.8659 32.5680 174.7925 111 G 3.7561 6.3650 104.6726 46.3429 0.0000 171.1127 112 A 5.5522 8.2366 123.1339 49.9948 22.1280 176.3136 113 W 5.5389 9.2316 116.8590 55.0692 31.4411 175.2740 114 T 4.3067 9.2164 117.9154 61.0613 71.5788 171.7979 115 P 5.0150 0.0000 0.0000 63.1246 31.5323 176.5816 116 L 4.5587 9.2697 123.0354 55.9210 42.6240 176.4579 117 D 4.7010 8.0836 116.3437 51.3897 45.0546 174.3180 118 D 4.3998 8.6547 120.1119 53.6340 41.4756 175.8380 119 P 4.4667 0.0000 0.0000 66.0223 31.6285 178.6646 120 R 3.9874 8.0149 117.4062 59.0297 30.1383 178.3622 121 E 4.1152 8.8428 119.3682 59.1763 29.5286 178.9818 122 G 3.8684 8.4435 107.3019 47.3386 0.0000 175.3680 123 L 4.3836 8.3791 123.4193 57.7767 41.8659 178.7347 124 E 4.0544 8.1454 118.5596 58.9782 29.8307 178.2328 125 K 4.3630 8.4897 116.0732 57.0799 33.2396 177.2530 126 G 3.4887 9.2664 108.5169 45.7157 0.0000 172.4612 127 H 5.4771 8.9394 120.2611 54.9335 33.3173 171.8900 128 L 5.1292 9.5537 127.0076 53.0740 44.3056 175.3665 129 S 5.2876 8.7616 118.7940 56.4784 64.8247 172.5781 130 F 5.5838 8.6265 120.5283 56.0050 41.7047 172.6694 131 A 5.4341 9.4911 121.7105 50.3377 22.0054 175.4346 132 L 5.2017 9.2996 120.7573 53.1374 45.1490 175.6965 133 D 5.1733 9.6111 122.7102 53.1629 43.4018 174.5699 134 G 4.6595 8.5540 114.3511 44.9926 0.0000 170.5262 135 E 4.1512 8.3403 118.6620 58.1965 29.9471 178.7720 136 K 4.5141 8.5201 115.8410 56.6599 34.3390 176.8359 137 L 5.1162 8.0580 116.6737 54.3913 42.0412 176.8363 138 S 5.1773 7.7182 113.7971 59.3112 63.4946 172.8986 139 G 3.7098 8.6403 107.0549 44.2751 0.0000 172.5293 140 R 5.0090 8.7076 117.6780 54.9485 32.1959 176.1805 141 W 5.2934 8.6698 121.1048 55.5114 34.3419 173.5267 142 H 5.4236 9.4792 118.1358 54.1159 32.4540 172.5941 143 L 5.2297 9.2784 122.6051 53.1848 44.1122 175.4166 144 I 5.0755 9.1297 125.1214 59.5492 40.1876 174.7495 145 R 4.2095 8.2990 127.8982 54.5832 31.1695 175.9636 146 T 4.0785 8.2586 120.4589 62.1231 67.9889 173.5528 147 N 4.6342 8.5449 123.7804 52.4401 37.9255 174.4794 148 L 4.1061 7.5977 123.0470 54.5732 42.4159 176.4097 149 R 3.9016 8.5980 125.2143 58.2198 30.3802 176.6703 150 G 3.9674 9.3294 109.3328 46.2237 0.0000 174.0328 151 K 4.6607 7.8941 115.8745 56.2594 34.0597 178.3272 152 Q 4.0185 8.2509 119.2742 58.1509 28.9047 177.2216 153 S 4.6038 8.0391 112.0613 59.5638 64.7250 173.5759 154 Q 4.7515 8.4039 122.1386 55.0575 29.6325 174.9859 155 W 5.3638 9.0735 123.5083 54.7625 33.7097 174.4819 156 F 5.1418 9.5329 119.1980 55.7290 42.4432 174.0458 157 L 4.8850 8.9327 125.8774 53.8345 43.7150 175.3228 158 V 4.7887 8.9803 126.1232 60.7566 34.9844 174.4840 159 K 3.5093 8.5905 128.7296 56.0674 33.1936 175.7472 160 A 4.3743 7.9943 128.8551 51.0042 19.9047 177.9141 161 K 4.0282 8.4441 119.8845 56.3329 31.7820 175.9106 162 D 4.5435 7.9177 124.0518 52.2849 41.5789 175.9231 163 G 3.6455 8.6382 106.8669 48.5557 0.0000 174.2677 164 E 4.1723 8.3968 117.7896 56.9164 30.1192 176.5892 165 A 4.2878 7.5432 121.2780 52.1752 19.1116 177.3453 166 R 4.6557 8.6649 118.9930 54.2942 35.1036 175.1019 167 S 4.3960 8.7040 119.0192 58.4799 63.5318 175.3866 168 L 4.1730 9.0992 126.0810 58.1618 41.9397 178.9117 169 D 4.5134 8.0622 117.7321 55.6891 39.6326 178.0634 170 R 4.4829 7.9080 118.5068 56.9629 30.7285 176.4271 171 F 4.4381 8.1460 120.9313 55.9520 41.6909 173.5157 172 D 4.7470 8.1921 128.6642 52.5191 42.1716 176.6537 173 V 3.5467 8.4497 128.6411 65.0111 31.1342 178.1491 174 L 4.2925 8.0026 118.5951 57.3117 41.4499 178.9447 175 K 4.2723 7.8237 117.0694 58.9084 32.5594 178.5989 176 E 4.1505 8.0752 118.1853 57.8419 30.6629 177.5506 177 R 4.6272 7.9634 117.0300 53.8207 30.1644 173.3767 178 P 4.8563 0.0000 0.0000 63.6812 32.5154 176.6767 179 D 4.9106 7.5293 118.4934 52.1176 43.1651 175.6409 180 S 4.4122 8.4812 115.5017 58.9640 62.5920 174.3637 181 V 4.0412 8.2800 119.0994 61.6349 31.7713 176.6501 182 L 4.5536 7.9822 119.7142 54.8199 43.5330 175.7706 183 S 4.6346 7.5365 110.3488 57.2529 65.8325 172.9566 184 E 4.6354 8.5301 116.9661 56.5693 29.8377 176.1811 185 R 4.5688 7.4387 116.6144 54.9674 32.1174 176.0154 186 T 4.7477 7.8696 114.2628 61.1178 70.4821 173.7657 187 L 4.0009 8.7014 125.5511 55.4427 41.9139 174.4598 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 30 D 8.35 4.59 0.00 2.71 1.73 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 31 S 8.57 4.62 0.00 4.02 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 32 T 8.49 4.30 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 1.19 0.00 0.00 33 G 7.70 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 34 L 8.40 3.65 0.00 1.77 1.78 0.90 0.98 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 35 L 7.57 4.38 0.00 1.04 1.67 0.37 0.95 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 36 R 9.21 5.24 0.00 1.84 1.84 0.00 3.08 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 37 Y 8.86 5.43 0.00 2.76 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 38 C 8.89 4.90 0.00 2.97 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 39 V 8.92 5.01 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 1.31 0.00 0.00 1.22 0.00 0.00 40 Q 9.50 5.15 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 41 K 8.84 3.94 0.00 1.74 1.61 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.95 0.21 7.81 42 H 8.82 5.07 0.00 3.02 2.57 0.00 5.65 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.45 4.94 0.00 2.80 2.54 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 44 A 7.11 5.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.73 4.13 0.00 3.75 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 46 R 7.55 4.51 0.00 1.77 1.82 0.00 3.44 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 47 L 8.45 4.25 0.00 1.58 1.56 0.73 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.61 5.20 0.00 3.26 3.35 0.00 5.53 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.74 5.00 0.00 2.98 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 50 D 9.56 5.37 0.00 2.65 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 51 F 9.54 5.23 0.00 3.01 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 52 R 8.95 5.16 0.00 1.67 1.74 0.00 3.19 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 53 L 8.83 4.54 0.00 1.07 0.18 -0.61 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 54 E 9.13 4.61 0.00 2.09 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 0.00 2.45 2.35 0.00 55 L 9.57 4.58 0.00 2.00 1.57 1.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 D 9.98 4.69 0.00 2.86 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 57 G 8.79 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 0.00 0.00 0.00 58 T 7.72 4.68 4.23 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 1.29 0.00 0.00 59 L 8.82 5.00 0.00 1.72 1.61 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.79 4.13 0.00 1.69 1.23 0.00 1.46 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.56 7.81 61 S 7.90 5.24 0.00 3.70 3.62 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 62 W 9.31 5.31 0.00 3.21 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 63 A 9.29 5.02 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 64 V 9.20 4.90 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 1.36 0.00 0.00 0.96 0.00 0.00 65 P 0.00 4.36 0.00 2.26 2.13 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 66 K 8.12 4.46 0.00 1.75 1.83 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 67 G 7.95 3.38 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 0.00 68 P 0.00 4.37 0.00 2.25 1.88 0.00 2.64 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 69 C 8.54 4.87 0.00 2.95 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 70 L 8.78 4.01 0.00 1.89 1.69 1.16 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.48 5.16 0.00 2.94 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 72 P 0.00 4.49 0.00 2.00 2.10 0.00 3.71 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 73 A 8.31 4.08 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 74 V 7.71 4.11 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 0.84 0.00 0.00 0.94 0.00 0.00 75 K 8.52 4.66 0.00 1.60 1.73 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.33 1.39 7.81 76 R 8.60 4.72 0.00 1.89 1.82 0.00 3.43 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 77 L 8.85 3.79 0.00 1.85 1.57 0.58 1.04 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 78 A 8.77 4.79 1.06 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 0.00 0.00 79 V 9.14 4.59 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 0.94 0.00 0.00 0.94 0.00 0.00 80 Q 9.45 3.84 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.37 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 81 V 7.74 4.62 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 0.72 0.00 0.00 0.87 0.00 0.00 82 E 8.64 4.01 0.00 1.84 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 0.00 2.13 2.25 0.00 83 D 8.57 4.65 0.00 2.51 2.51 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 84 H 8.86 4.97 0.00 3.04 3.11 0.00 5.81 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.65 0.00 2.25 2.16 0.00 3.56 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 2.11 1.93 0.00 86 L 8.75 4.00 0.00 1.74 1.81 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.10 4.58 0.00 2.74 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 88 Y 8.37 4.19 0.00 3.07 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 89 A 8.04 4.05 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 90 D 7.42 4.62 0.00 2.60 2.65 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 91 F 7.80 4.12 0.00 2.56 2.07 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 92 E 8.66 4.47 0.00 1.65 1.55 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 2.09 2.08 0.00 93 G 6.59 3.56 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 0.00 0.00 0.00 94 S 8.25 5.30 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 95 I 8.65 4.48 2.17 0.00 0.00 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 1.38 1.00 1.02 0.00 0.00 96 P 0.00 4.59 0.00 2.09 2.08 0.00 3.81 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 2.01 2.00 0.00 97 Q 8.23 4.21 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.67 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 *99 H 7.79 4.88 0.00 2.86 3.13 0.00 7.17 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 8.00 4.18 0.00 2.90 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 0.00 101 G 7.91 3.59 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 0.00 102 A 7.61 4.13 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 0.00 103 G 7.98 4.75 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 0.00 104 D 8.07 5.07 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.96 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 1.04 0.00 0.00 0.88 0.00 0.00 106 I 8.56 4.73 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.88 0.89 0.00 0.00 107 V 9.26 4.25 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 0.90 0.00 0.00 0.93 0.00 0.00 108 W 9.29 4.39 0.00 3.38 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 0.00 109 D 8.14 4.83 0.00 2.87 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 0.00 110 R 7.34 4.16 0.00 1.61 1.78 0.00 3.07 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 111 G 6.36 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 0.00 112 A 8.24 5.55 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 W 9.23 5.54 0.00 3.44 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 0.00 114 T 9.22 4.31 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 1.18 0.00 0.00 115 P 0.00 5.02 0.00 1.91 2.18 0.00 3.37 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.33 0.00 116 L 9.27 4.56 0.00 1.66 1.77 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.08 4.70 0.00 2.68 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 0.00 118 D 8.65 4.40 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 119 P 0.00 4.47 0.00 2.60 2.58 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 2.16 2.06 0.00 120 R 8.01 3.99 0.00 1.94 2.09 0.00 3.18 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 121 E 8.84 4.12 0.00 2.19 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 0.00 2.38 2.39 0.00 122 G 8.44 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 0.00 123 L 8.38 4.38 0.00 2.06 2.02 1.10 0.91 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 0.00 124 E 8.15 4.05 0.00 2.18 2.23 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 2.38 2.42 0.00 125 K 8.49 4.36 0.00 1.96 1.97 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.56 7.81 126 G 9.27 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.94 5.48 0.00 3.24 3.24 0.00 5.57 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 9.55 5.13 0.00 1.76 1.78 0.74 0.92 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 0.00 129 S 8.76 5.29 0.00 3.91 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 0.00 130 F 8.63 5.58 0.00 3.61 3.50 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 0.00 131 A 9.49 5.43 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 0.00 132 L 9.30 5.20 0.00 1.88 1.33 0.21 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 133 D 9.61 5.17 0.00 2.67 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 0.00 134 G 8.55 4.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.34 4.15 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 136 K 8.52 4.51 0.00 1.52 1.66 0.00 0.61 0.00 0.00 0.83 0.00 0.00 2.57 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.10 1.02 7.81 137 L 8.06 5.12 0.00 1.92 1.83 1.08 1.22 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 0.00 138 S 7.72 5.18 0.00 3.96 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 0.00 139 G 8.64 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 0.00 0.00 0.00 140 R 8.71 5.01 0.00 1.68 1.69 0.00 3.07 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 141 W 8.67 5.29 0.00 1.78 2.54 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 0.00 142 H 9.48 5.42 0.00 3.02 3.25 0.00 5.57 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.28 5.23 0.00 1.54 1.49 -0.66 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 144 I 9.13 5.08 2.02 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 1.20 0.97 0.92 0.00 0.00 145 R 8.30 4.21 0.00 0.67 0.95 0.00 3.20 0.00 0.00 2.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 146 T 8.26 4.08 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 1.20 0.00 0.00 147 N 8.54 4.63 0.00 2.81 2.84 0.00 0.00 6.05 7.79 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 0.00 148 L 7.60 4.11 0.00 1.69 1.59 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 149 R 8.60 3.90 0.00 1.83 1.88 0.00 3.33 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 1.64 1.65 0.00 150 G 9.33 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 0.00 151 K 7.89 4.66 0.00 1.88 1.74 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.41 7.81 152 Q 8.25 4.02 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 153 S 8.04 4.60 0.00 4.12 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 0.00 154 Q 8.40 4.75 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 155 W 9.07 5.36 0.00 3.38 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 0.00 156 F 9.53 5.14 0.00 2.93 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 0.00 157 L 8.93 4.89 0.00 1.42 1.41 0.54 -0.00 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 0.00 158 V 8.98 4.79 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 0.78 0.00 0.00 1.01 0.00 0.00 159 K 8.59 3.51 0.00 1.24 1.28 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.45 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.26 0.95 7.81 160 A 7.99 4.37 1.06 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 0.00 0.00 161 K 8.44 4.03 0.00 1.70 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 162 D 7.92 4.54 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 G 8.64 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 0.00 164 E 8.40 4.17 0.00 1.98 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 0.00 2.27 2.44 0.00 165 A 7.54 4.29 1.15 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 0.00 0.00 166 R 8.66 4.66 0.00 1.78 1.81 0.00 3.06 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.28 0.00 167 S 8.70 4.40 0.00 3.81 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 0.00 168 L 9.10 4.17 0.00 1.64 1.72 0.95 1.42 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 0.00 169 D 8.06 4.51 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 0.00 170 R 7.91 4.48 0.00 1.90 2.08 0.00 3.37 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 171 F 8.15 4.44 0.00 2.98 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 0.00 172 D 8.19 4.75 0.00 2.70 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 0.00 173 V 8.45 3.55 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 1.05 0.00 0.00 1.34 0.00 0.00 174 L 8.00 4.29 0.00 1.68 1.78 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 175 K 7.82 4.27 0.00 1.65 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.51 7.81 176 E 8.08 4.15 0.00 1.39 1.81 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 1.93 1.47 0.00 177 R 7.96 4.63 0.00 1.63 1.67 0.00 3.39 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 178 P 0.00 4.86 0.00 2.30 2.30 0.00 3.77 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 179 D 7.53 4.91 0.00 2.65 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 0.00 180 S 8.48 4.41 0.00 3.84 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 0.00 181 V 8.28 4.04 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 0.62 0.00 0.00 0.87 0.00 0.00 182 L 7.98 4.55 0.00 1.54 1.62 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 183 S 7.54 4.63 0.00 3.86 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 0.00 184 E 8.53 4.64 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 185 R 7.44 4.57 0.00 1.86 1.80 0.00 3.17 0.00 0.00 3.03 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 186 T 7.87 4.75 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 1.22 0.00 0.00 187 L 8.70 4.00 0.00 1.79 1.58 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.