NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 E 4.4100 8.3033 121.7416 56.3785 31.4132 174.1629 1 M 5.2061 8.6263 123.4054 53.3005 35.2174 173.8527 2 R 4.7026 9.0438 119.7566 54.5725 35.4034 173.8082 3 I 4.7954 8.3955 122.7349 59.7080 40.5144 174.3578 4 G 4.5840 8.9884 113.9824 44.9657 0.0000 170.6838 5 H 5.4503 8.7530 119.3450 54.2242 33.5788 172.2709 6 G 4.4600 8.9125 111.2207 44.6564 0.0000 171.0110 7 F 5.4936 8.5209 121.5959 56.8074 42.4936 172.8740 8 D 4.5550 8.0440 123.8181 52.8872 45.1373 173.8433 9 V 4.5242 7.7694 121.4074 61.4915 35.0107 174.0322 10 H 4.9983 8.7763 122.7762 53.8792 33.0548 172.3075 11 A 4.7741 8.3796 123.5338 50.8151 20.2961 176.9710 12 F 5.0225 8.7985 121.1870 57.5993 40.0990 175.3509 13 G 4.0353 9.3180 109.4275 47.5421 0.0000 175.0228 14 G 4.0858 7.9766 111.0694 44.6493 0.0000 172.5400 15 E 4.6566 8.3262 117.1930 54.8223 31.5328 178.2643 16 G 4.8317 8.5795 108.8125 45.8088 0.0000 173.2517 17 P 3.9985 0.0000 0.0000 62.6578 29.0153 174.9361 18 I 4.3021 8.0325 120.2512 59.8495 39.3196 174.8131 19 I 4.9214 8.0694 120.9515 59.6107 39.7514 174.8834 20 I 4.8398 8.3980 126.0563 60.4535 40.1456 175.9316 21 G 4.0913 9.9151 113.8785 46.6358 0.0000 175.0448 22 G 3.9249 8.8410 106.8654 45.0807 0.0000 174.2195 23 V 4.4626 7.6828 120.9720 61.2139 33.4052 174.9505 24 R 4.6725 8.6960 127.4010 56.0308 31.1139 175.8200 25 I 4.3899 9.0719 125.2579 58.5501 39.9458 173.3580 26 P 4.5614 0.0000 0.0000 63.8535 31.8899 175.0818 27 Y 4.8352 8.3048 122.0565 56.6868 41.6515 175.0145 28 E 3.7834 7.6297 123.1927 58.4523 29.9754 177.3511 29 K 5.0788 6.4647 116.0657 53.5638 36.7948 176.4168 30 G 4.6161 8.0348 108.6410 44.4285 0.0000 171.6946 31 L 5.2162 8.3031 119.6701 52.5199 43.4495 176.9747 32 L 4.1037 8.5778 124.7925 55.4970 40.5444 176.8070 33 A 4.3650 8.3254 126.5899 52.2884 21.6643 177.2248 *34 H 4.2630 8.9129 116.4515 56.4417 28.2338 176.5047 35 S 4.7910 6.9631 110.5543 56.7585 64.9240 173.8311 36 D 4.3489 8.4330 118.7106 54.3670 39.1208 176.9123 37 G 3.4260 7.7343 108.2731 46.8163 0.0000 174.8512 38 D 5.1830 7.7409 122.3954 52.1635 39.6834 176.3075 39 V 3.9157 8.3056 120.1827 63.2404 31.7728 177.6876 40 A 3.9363 7.8606 119.8346 55.2801 18.3218 179.6204 41 L 3.9853 8.0598 117.2791 57.8748 41.6062 179.5892 42 H 4.2535 8.2503 116.2288 58.7853 28.7255 177.5100 43 A 3.9636 8.0272 122.5605 55.1305 18.2271 179.3687 44 L 3.8843 8.0310 118.7405 58.6575 42.0689 179.3474 45 T 3.9306 8.2237 115.8900 66.8466 68.3677 176.4325 46 D 4.3517 8.3604 120.6071 57.2723 40.8211 178.7345 47 A 4.2730 8.0867 122.7152 54.4795 18.2127 179.7663 48 L 3.9805 8.0497 117.5717 57.9990 41.6703 179.7315 49 L 4.1233 8.3675 119.4377 57.7046 41.6098 179.8249 50 G 3.5679 8.6005 105.9884 47.7511 0.0000 175.6701 51 A 4.5202 8.1974 123.2495 53.7943 18.4412 178.5762 52 A 3.7861 7.3826 116.6247 50.8870 19.6897 176.6973 53 A 3.7054 7.4702 119.4178 53.5953 16.6670 177.7823 54 L 4.6182 8.4681 117.1058 55.1621 43.9619 177.1739 55 G 3.9927 9.7281 110.2054 44.2317 0.0000 176.8056 56 D 4.7352 8.6405 126.0760 50.8084 43.6319 174.7176 57 I 3.8571 9.1910 119.5888 64.2515 37.5566 177.7952 58 G 3.6864 8.1322 105.0983 47.7357 0.0000 175.0407 59 K 4.0663 8.1776 120.9492 59.2859 32.3395 178.6871 60 L 3.7857 7.5213 117.9217 56.3805 42.6909 177.6312 61 F 5.0506 7.5599 115.7622 55.1329 39.5718 172.8039 62 P 4.5530 0.0000 0.0000 62.2876 32.3733 177.9454 63 D 4.4012 8.6489 119.3351 56.8922 41.1849 176.7545 64 T 4.1689 7.8303 111.2635 62.6901 67.6752 173.0341 65 D 4.9228 8.0539 121.0567 52.3079 42.5544 174.1919 66 P 4.3318 0.0000 0.0000 65.5156 31.8142 178.2076 67 A 3.7550 8.0883 121.6604 55.1190 18.3509 178.3096 68 F 4.4026 8.1149 111.3477 56.7576 39.3886 175.3802 69 K 4.0993 7.6526 123.3191 58.1071 31.8368 177.0150 70 G 3.8743 9.0053 114.0381 45.3636 0.0000 172.9012 71 A 4.1664 8.0448 123.1493 51.5931 19.1972 178.3219 72 D 4.6341 8.3531 122.1210 53.1555 41.7427 178.0496 73 S 4.2055 8.8347 115.8481 61.4666 62.7032 177.3079 74 R 3.9704 7.9578 120.6944 58.9819 29.8331 178.6173 75 E 4.0333 8.4903 118.6058 59.3865 29.3894 179.3114 76 L 3.4065 7.6881 118.6616 57.4171 41.5548 179.4062 77 L 3.9924 7.9852 120.1944 58.3522 42.1091 179.2724 78 R 4.0834 8.1020 118.0504 59.1313 29.9488 178.8032 79 E 3.9697 8.3614 119.0138 59.2322 29.7106 178.3861 80 A 4.0316 8.4310 121.2196 55.2987 18.3039 179.4847 81 W 4.4278 8.5947 126.6749 60.5492 30.6657 178.4489 82 R 3.7673 8.2518 118.1630 59.4269 29.3389 179.2978 83 R 3.8706 7.7568 116.4037 59.1177 30.2989 179.0158 84 I 3.9075 7.8023 119.7108 64.5565 37.0971 178.5469 85 Q 4.0084 7.9870 120.1753 58.1026 28.1715 178.5851 86 A 3.9194 7.9086 121.1824 54.2022 18.3808 178.4437 87 K 4.2022 7.5537 116.2909 56.2619 32.4631 177.1343 88 G 3.7417 7.9405 106.3299 45.4567 0.0000 173.4914 89 Y 4.9711 7.2856 117.6462 57.5751 39.8208 174.4452 90 T 4.9248 8.8923 111.9998 59.5334 73.0378 172.2882 91 L 4.1645 8.9345 124.0995 55.7178 42.2686 175.0671 92 G 3.8654 9.2271 115.7546 47.0965 0.0000 173.6122 93 N 5.1857 8.0100 113.8183 51.5191 41.7553 174.2888 94 V 5.0054 8.6700 111.6168 59.8110 36.5496 174.4037 95 D 5.1675 8.9129 121.6945 52.7767 44.8096 174.2088 96 V 4.8194 8.7296 125.0776 61.4536 35.1788 174.6199 97 T 4.8768 9.1706 122.5636 61.8061 71.9969 173.1560 98 I 4.2949 8.8871 129.1404 61.0572 38.7185 175.5662 99 I 4.8906 8.8203 127.5451 59.9070 39.5437 174.4755 100 A 4.6747 8.6463 128.3400 50.8120 21.7750 176.1189 101 Q 3.9874 9.0431 123.9989 58.8613 29.5987 175.7997 102 A 4.4999 7.3625 117.0048 50.3096 21.7654 173.6342 103 P 4.5209 0.0000 0.0000 61.3363 32.5848 175.9638 104 K 4.1094 8.3914 119.7981 56.8790 32.6501 176.0713 105 M 4.5700 8.4622 123.7820 56.0237 34.0420 177.7719 106 L 3.9167 8.1718 120.5364 57.7810 41.8729 177.0055 107 P 4.2752 0.0000 0.0000 65.1366 31.6193 177.0623 108 H 4.6147 8.0211 115.4578 56.8830 28.9467 177.3177 109 I 3.7108 7.3683 122.4996 63.8159 36.9596 176.1173 110 P 4.1743 0.0000 0.0000 65.9538 31.0246 178.6165 111 Q 3.6340 7.8585 116.0243 58.8710 28.6305 178.1570 112 M 4.4543 7.5516 121.1651 58.0309 32.0374 179.1364 113 R 3.8838 8.0768 117.9320 59.0749 30.2147 179.1894 114 V 3.5299 7.5604 118.0108 66.2089 31.5020 178.2003 115 F 4.6272 8.2324 117.7152 60.6134 38.7056 177.8941 116 I 3.7377 8.1524 119.4701 64.2871 36.9513 178.2681 117 A 3.9602 8.1707 121.7091 55.1220 18.0179 179.5579 118 E 3.9557 8.3725 117.0469 59.8418 29.3831 179.4190 119 D 4.4306 8.1314 117.5193 56.5104 40.9509 177.7791 120 L 3.7752 7.7588 116.8187 52.9398 42.4045 176.3413 121 G 3.9811 7.8019 107.2713 46.9671 0.0000 172.7876 122 C 4.8785 7.8933 112.3116 55.7132 33.1910 173.1219 123 H 4.6025 8.1872 116.1115 55.3960 29.2299 176.5604 124 M 4.0065 8.6560 121.5619 58.7823 32.1431 177.5363 125 D 4.5081 8.0534 115.7651 55.8242 41.7230 175.7816 126 D 4.6795 8.1795 117.9246 54.8162 41.3177 175.4956 127 V 4.6362 7.7358 119.8949 60.9333 33.9725 174.1076 128 N 5.0938 8.9404 126.4862 51.7404 41.8922 173.1506 129 V 5.0640 8.3403 124.6114 61.0718 34.7057 174.2327 130 K 4.8801 9.0225 125.2801 55.2862 36.6080 174.6780 131 A 5.2849 8.3943 120.7866 50.7962 22.3525 175.0650 132 T 4.7333 8.9535 113.9070 61.0867 71.7026 172.8507 133 T 5.0290 8.3821 115.6976 60.0938 71.7336 174.1203 134 T 4.4411 8.1267 108.1193 61.0009 69.1227 174.1592 135 E 3.8086 8.8050 118.5444 58.3263 27.4852 175.8889 136 K 4.2572 8.3498 113.5975 57.2073 30.9365 176.6478 137 L 4.4277 7.9311 120.0073 54.2735 43.4014 178.1370 138 G 4.2218 8.4508 110.5529 44.9790 0.0000 173.9916 139 F 4.4330 8.3808 113.1166 60.0412 37.8118 177.5132 140 T 4.1402 6.1343 111.3637 64.1185 68.5566 176.6683 141 G 3.6700 7.8055 108.2892 47.1253 0.0000 174.9103 142 R 4.4638 7.9029 117.5526 55.9242 30.3978 177.0577 143 G 4.1031 8.0341 107.0403 46.3914 0.0000 174.6565 144 E 4.4380 8.6144 121.2039 57.3090 29.9661 176.4057 145 G 3.7503 7.1667 105.2332 45.1969 0.0000 171.4157 146 I 4.7923 7.4107 118.4551 59.3467 41.0057 174.9868 147 A 5.0310 8.6677 126.0218 50.6306 23.2423 174.3714 148 C 5.0481 8.1250 116.8362 58.6308 35.6090 172.5169 149 E 5.4856 9.3715 125.1121 54.7769 32.6013 174.8541 150 A 5.1745 8.9217 123.2608 50.6752 23.3592 175.4778 151 V 5.0092 8.9106 112.0068 59.7487 36.3210 174.7034 152 A 5.1649 8.9282 123.2875 50.3569 23.4342 174.7757 153 L 5.1001 8.7158 121.1113 53.3805 45.0397 175.6876 154 L 5.2743 8.8471 125.9479 53.3222 45.0012 175.2127 155 I 4.8423 8.7927 124.2961 60.1312 39.8566 177.1146 *156 K 4.0914 9.0186 127.5882 54.8800 32.2930 173.1409 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 0 E 8.30 4.41 0.00 2.20 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 2.27 1.92 0.00 1 M 8.63 5.21 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.68 0.00 2 R 9.04 4.70 0.00 1.55 1.78 0.00 3.32 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 3 I 8.40 4.80 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 1.28 1.31 0.91 0.00 0.00 4 G 8.99 4.58 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 0.00 0.00 0.00 5 H 8.75 5.45 0.00 3.17 3.11 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.91 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 0.00 0.00 0.00 7 F 8.52 5.49 0.00 2.96 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 8 D 8.04 4.55 0.00 2.68 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 0.00 0.00 0.00 0.00 9 V 7.77 4.52 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 0.73 0.00 0.00 0.80 0.00 0.00 10 H 8.78 5.00 0.00 2.98 3.02 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.38 4.77 1.19 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 0.00 0.00 12 F 8.80 5.02 0.00 3.08 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 13 G 9.32 4.04 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 0.00 14 G 7.98 4.09 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 0.00 15 E 8.33 4.66 0.00 2.04 1.86 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 2.33 2.28 0.00 16 G 8.58 4.83 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 17 P 0.00 4.00 0.00 2.15 2.38 0.00 3.69 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 2.00 2.10 0.00 18 I 8.03 4.30 1.94 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 1.51 0.86 1.15 0.00 0.00 19 I 8.07 4.92 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 1.41 0.82 0.90 0.00 0.00 20 I 8.40 4.84 1.86 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 1.21 0.97 0.89 0.00 0.00 21 G 9.92 4.09 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 0.00 22 G 8.84 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 0.00 0.00 0.00 23 V 7.68 4.46 2.26 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 1.00 0.00 0.00 1.10 0.00 0.00 24 R 8.70 4.67 0.00 1.76 1.87 0.00 3.20 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 25 I 9.07 4.39 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.07 0.79 0.00 0.00 26 P 0.00 4.56 0.00 1.97 2.04 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 27 Y 8.30 4.84 0.00 2.96 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 28 E 7.63 3.78 0.00 1.29 1.69 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 2.08 2.11 0.00 29 K 6.46 5.08 0.00 1.60 1.76 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.13 0.67 7.81 30 G 8.03 4.62 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 0.00 0.00 0.00 31 L 8.30 5.22 0.00 1.51 1.56 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.58 4.10 0.00 1.72 1.65 0.95 0.63 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 33 A 8.33 4.36 1.13 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 0.00 0.00 *34 H 8.91 4.26 0.00 2.94 3.00 0.00 7.18 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 6.96 4.79 0.00 3.99 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 36 D 8.43 4.35 0.00 2.75 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 37 G 7.73 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.74 5.18 0.00 2.78 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 0.00 0.00 0.00 0.00 39 V 8.31 3.92 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 1.03 0.00 0.00 0.86 0.00 0.00 40 A 7.86 3.94 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 41 L 8.06 3.99 0.00 1.70 1.72 0.90 1.08 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 42 H 8.25 4.25 0.00 3.27 3.32 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.03 3.96 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 44 L 8.03 3.88 0.00 1.81 1.88 0.87 0.67 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 45 T 8.22 3.93 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 1.32 0.00 0.00 46 D 8.36 4.35 0.00 2.84 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 47 A 8.09 4.27 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 48 L 8.05 3.98 0.00 1.96 1.90 0.86 0.35 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 49 L 8.37 4.12 0.00 1.82 1.71 0.94 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.60 3.57 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 0.00 0.00 0.00 51 A 8.20 4.52 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 52 A 7.38 3.79 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 53 A 7.47 3.71 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 54 L 8.47 4.62 0.00 1.71 1.63 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.73 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 0.00 0.00 0.00 0.00 56 D 8.64 4.74 0.00 3.08 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 57 I 9.19 3.86 2.11 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 1.69 1.54 0.95 0.00 0.00 58 G 8.13 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 59 K 8.18 4.07 0.00 1.74 1.94 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 60 L 7.52 3.79 0.00 1.16 0.13 0.73 0.47 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 61 F 7.56 5.05 0.00 3.11 2.92 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 62 P 0.00 4.55 0.00 2.24 2.19 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.95 0.00 63 D 8.65 4.40 0.00 2.67 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 64 T 7.83 4.17 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 1.23 0.00 0.00 65 D 8.05 4.92 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 66 P 0.00 4.33 0.00 2.24 2.30 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 67 A 8.09 3.76 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.11 4.40 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.65 4.10 0.00 1.94 1.75 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.47 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.43 7.81 70 G 9.01 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 71 A 8.04 4.17 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 72 D 8.35 4.63 0.00 3.05 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.83 4.21 0.00 3.86 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 74 R 7.96 3.97 0.00 1.91 1.95 0.00 2.81 0.00 0.00 3.04 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 75 E 8.49 4.03 0.00 2.24 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 2.37 2.36 0.00 76 L 7.69 3.41 0.00 1.71 1.32 0.70 -0.81 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 77 L 7.99 3.99 0.00 1.88 1.85 0.92 0.79 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 78 R 8.10 4.08 0.00 2.12 2.07 0.00 3.24 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 79 E 8.36 3.97 0.00 2.10 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 1.69 2.32 0.00 80 A 8.43 4.03 1.54 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 81 W 8.59 4.43 0.00 3.50 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 82 R 8.25 3.77 0.00 2.11 1.95 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 83 R 7.76 3.87 0.00 1.90 1.95 0.00 3.04 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 84 I 7.80 3.91 1.87 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.09 0.92 0.00 0.00 85 Q 7.99 4.01 0.00 1.67 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 86 A 7.91 3.92 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 87 K 7.55 4.20 0.00 1.98 1.85 0.00 1.81 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.41 7.81 88 G 7.94 3.74 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 0.00 0.00 0.00 89 Y 7.29 4.97 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.89 4.92 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 1.25 0.00 0.00 91 L 8.93 4.16 0.00 1.62 1.64 0.66 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.23 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 93 N 8.01 5.19 0.00 2.86 2.88 0.00 0.00 5.71 7.68 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 94 V 8.67 5.01 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 0.56 0.00 0.00 0.86 0.00 0.00 95 D 8.91 5.17 0.00 2.75 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 96 V 8.73 4.82 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 0.91 0.00 0.00 0.91 0.00 0.00 97 T 9.17 4.88 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 98 I 8.89 4.29 1.86 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 1.36 0.91 0.88 0.00 0.00 99 I 8.82 4.89 1.86 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 1.17 1.01 0.86 0.00 0.00 100 A 8.65 4.67 1.16 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 0.00 101 Q 9.04 3.99 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 102 A 7.36 4.50 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 0.00 103 P 0.00 4.52 0.00 2.15 1.99 0.00 3.51 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 104 K 8.39 4.11 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.52 7.81 105 M 8.46 4.57 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 106 L 8.17 3.92 0.00 1.73 1.65 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.28 0.00 2.06 2.07 0.00 3.69 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 108 H 8.02 4.61 0.00 3.37 3.38 0.00 5.81 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 0.00 109 I 7.37 3.71 1.96 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 1.72 0.83 0.94 0.00 0.00 110 P 0.00 4.17 0.00 2.08 2.06 0.00 3.65 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 2.07 2.15 0.00 111 Q 7.86 3.63 0.00 2.10 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.31 0.00 112 M 7.55 4.45 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.78 0.00 113 R 8.08 3.88 0.00 1.93 1.94 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 114 V 7.56 3.53 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.88 0.00 0.00 115 F 8.23 4.63 0.00 3.20 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 0.00 116 I 8.15 3.74 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 1.45 0.90 0.83 0.00 0.00 117 A 8.17 3.96 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 0.00 118 E 8.37 3.96 0.00 2.24 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 2.40 2.73 0.00 119 D 8.13 4.43 0.00 2.76 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 0.00 120 L 7.76 3.78 0.00 1.25 0.82 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 G 7.80 3.98 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 0.00 0.00 0.00 122 C 7.89 4.88 0.00 3.14 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 0.00 123 H 8.19 4.60 0.00 3.23 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.66 4.01 0.00 2.03 2.06 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 2.64 2.51 0.00 125 D 8.05 4.51 0.00 2.68 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 0.00 126 D 8.18 4.68 0.00 2.87 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 0.00 127 V 7.74 4.64 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 0.70 0.00 0.00 0.86 0.00 0.00 128 N 8.94 5.09 0.00 2.85 2.73 0.00 0.00 6.13 7.86 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 0.00 129 V 8.34 5.06 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.02 4.88 0.00 1.81 1.83 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.51 1.37 7.81 131 A 8.39 5.28 1.18 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 0.00 0.00 132 T 8.95 4.73 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 1.20 0.00 0.00 133 T 8.38 5.03 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 1.26 0.00 0.00 134 T 8.13 4.44 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 1.12 0.00 0.00 135 E 8.80 3.81 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 2.25 2.39 0.00 136 K 8.35 4.26 0.00 1.95 2.00 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 137 L 7.93 4.43 0.00 1.76 1.55 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.45 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.38 4.43 0.00 3.42 3.34 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 0.00 140 T 6.13 4.14 4.09 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 0.58 0.00 0.00 141 G 7.81 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 0.00 142 R 7.90 4.46 0.00 1.91 2.06 0.00 3.25 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 143 G 8.03 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 0.00 144 E 8.61 4.44 0.00 2.46 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 2.41 2.39 0.00 145 G 7.17 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 0.00 146 I 7.41 4.79 1.66 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 1.13 0.41 0.90 0.00 0.00 147 A 8.67 5.03 1.24 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 0.00 0.00 0.00 148 C 8.13 5.05 0.00 2.92 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 0.00 149 E 9.37 5.49 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.39 0.00 150 A 8.92 5.17 1.16 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 0.00 151 V 8.91 5.01 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 0.81 0.00 0.00 0.99 0.00 0.00 152 A 8.93 5.16 1.17 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 0.00 153 L 8.72 5.10 0.00 1.76 1.50 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.85 5.27 0.00 1.51 1.62 0.47 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.79 4.84 1.98 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 1.15 0.78 0.97 0.00 0.00 *156 K 9.02 4.09 0.00 1.56 1.70 0.00 1.29 0.00 0.00 1.02 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.