NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3012 8.1744 115.2442 62.0137 68.4888 172.6731 5 S 4.5324 8.2860 121.6551 56.4648 65.6326 171.6351 6 D 4.6782 8.7404 123.2002 53.7752 41.8761 176.1724 7 L 3.8784 7.3887 122.1338 55.5299 42.2825 176.7859 8 I 3.9841 8.3009 127.3766 60.2408 37.6326 174.2573 9 P 4.4301 0.0000 0.0000 62.0448 31.9342 176.0510 10 A 3.0404 8.3986 123.7571 51.2082 18.7644 176.0345 11 P 4.2185 0.0000 0.0000 61.4698 32.2033 174.5583 12 P 4.2810 0.0000 0.0000 62.4118 32.0173 177.2849 13 L 3.4389 8.5259 121.0045 57.9830 41.7054 179.6386 14 S 4.0187 7.9721 113.3117 60.9608 62.7769 175.2765 15 K 4.0900 8.2663 118.4000 56.8119 32.4136 176.7463 16 V 3.9063 7.3556 119.5539 60.7148 30.8545 173.8035 17 P 4.4616 0.0000 0.0000 62.3036 32.0317 175.5074 18 L 4.6309 7.7902 119.7716 53.1821 44.8120 175.1850 19 Q 3.9699 8.4411 127.1766 56.6953 29.1859 177.9617 20 Q 4.0013 8.6596 123.3875 56.1687 28.2039 175.9043 *22 F 4.5821 7.9771 119.4840 58.3568 40.1345 174.4735 23 Q 4.2223 9.2299 129.4011 53.7976 27.7433 175.7649 24 D 4.5031 8.1806 124.7919 56.3733 39.1379 178.0403 25 N 4.3991 8.0255 116.6207 54.5318 37.6588 175.7127 26 Q 4.3063 7.6046 119.6553 55.9593 29.8164 175.7038 27 F 5.1058 7.7139 118.9606 59.3625 40.1616 174.7224 28 H 4.5749 8.1549 113.3397 55.7503 29.0916 172.9701 29 G 3.5066 9.0454 104.2356 43.9266 0.0000 171.8467 30 K 4.6541 7.8001 117.5558 54.8367 33.4536 176.6052 31 W 4.8430 8.8480 124.0676 55.0400 32.8493 173.8781 32 Y 4.7503 9.2196 121.6081 56.6238 39.8158 175.5272 33 V 4.1188 8.3551 124.3340 62.4641 30.4449 175.5056 34 V 4.0233 8.7441 129.4330 64.7285 32.9269 175.9919 35 G 3.9498 7.6256 105.8459 44.1604 0.0000 171.4712 36 L 5.3719 8.8781 124.4357 53.2308 45.7076 174.8683 37 A 5.1355 9.4720 127.5074 50.2634 23.1201 174.8438 38 G 3.9582 8.0432 106.0951 45.7532 0.0000 174.2567 39 N 4.4047 7.8500 117.4569 54.3326 37.4234 176.0969 40 R 4.4318 7.6636 116.0507 55.9114 31.5685 175.7179 41 I 4.0808 7.3781 120.6582 60.3583 37.9105 174.5972 42 L 4.9626 8.1266 124.3285 52.5342 44.5216 176.3585 43 R 3.9852 9.2388 126.7314 56.5461 30.9010 175.9642 44 D 4.5875 8.5797 125.4030 52.8531 42.9368 175.1563 45 D 4.5134 8.8818 125.4662 56.1943 41.0875 177.7003 46 Q 4.3172 8.4842 117.5514 57.3598 29.6328 175.8007 47 H 4.9056 8.2518 114.5758 53.0839 29.2001 171.4410 48 P 4.3988 0.0000 0.0000 62.9651 32.5507 176.2855 49 M 4.4496 8.3785 120.0507 54.8644 33.6969 175.0062 50 N 4.9188 8.7018 123.0748 53.0843 39.7113 174.7054 51 M 4.5544 8.9006 123.2047 56.0307 33.3823 174.5939 52 Y 5.1722 8.5683 121.1489 55.4163 42.6423 173.2391 53 A 5.1482 8.8662 120.0171 50.3912 23.0116 175.2645 54 T 4.9272 8.6426 115.3244 61.7755 72.7850 173.1405 55 I 4.7445 8.7615 127.0194 59.6724 40.2241 174.1389 56 Y 4.6463 9.2880 125.6730 56.5552 39.6697 174.7929 57 E 5.0042 9.0413 125.8141 54.1057 31.6780 175.6783 58 L 4.1193 8.8154 127.9228 55.1011 42.9415 177.0581 59 K 4.4762 9.2370 126.6287 54.8481 33.5724 177.6861 60 E 4.0028 8.6673 118.3336 59.5139 29.4794 177.4193 61 D 4.6459 8.0158 116.8158 53.1802 39.3757 177.1778 62 K 3.9320 7.8746 116.5575 57.3510 30.6735 176.1505 63 S 4.9868 8.0461 115.9956 57.9090 65.3774 172.3412 64 Y 5.3185 9.0873 118.3302 56.5580 41.1395 175.1056 65 N 5.0157 9.2622 121.2739 52.1281 40.4336 174.3240 66 V 4.2209 8.7853 125.6958 61.4242 33.3631 174.3390 67 T 4.9504 8.4567 125.6877 61.9189 71.0504 173.7331 68 S 5.0712 8.8637 122.6210 56.7327 65.7151 173.1918 69 V 4.1597 8.8405 124.9539 61.0824 33.4870 174.3387 70 I 4.9281 8.5044 128.4473 59.4850 41.2211 174.5965 71 S 4.8663 8.5746 119.8793 56.9969 63.2504 174.6659 72 S 4.4347 9.0651 119.2935 59.5402 65.4959 174.1824 *75 K 4.0981 7.8151 120.3336 56.8508 32.9799 175.3430 76 C 5.2700 8.5999 119.3019 55.4729 42.9168 172.9469 77 E 4.9395 9.3455 122.0995 54.8342 32.6610 174.2809 78 Y 5.1238 8.9581 121.9479 56.3976 40.2006 175.2152 79 T 4.8362 8.7168 113.5164 59.9800 72.6257 172.8880 80 I 5.1634 8.3192 122.1242 59.7688 41.1273 174.4617 81 A 4.7544 8.8023 125.3224 50.7648 23.4658 174.9600 82 T 4.9868 8.5362 115.6374 61.9479 71.3813 173.5069 83 F 5.6141 9.1740 126.3806 56.3699 40.6148 175.0863 84 V 4.5997 8.7300 125.2935 60.9544 32.9207 173.5071 85 P 4.4058 0.0000 0.0000 63.4784 31.5051 176.7441 86 G 4.1814 8.5284 113.4299 46.0285 0.0000 175.2290 87 S 4.3584 8.5398 116.3453 60.7976 63.6761 174.4561 88 Q 4.4047 7.3697 117.9387 53.1027 32.6295 171.6160 89 P 4.2116 0.0000 0.0000 66.5659 31.2158 176.6003 90 G 2.7100 8.5378 111.5817 44.1039 0.0000 171.2029 91 E 4.9254 7.4638 120.3082 54.1593 32.9965 174.6537 92 F 5.5407 9.1228 123.5103 56.3542 44.4257 173.3041 93 T 5.0974 9.3059 110.6166 59.9110 72.2590 172.5061 94 L 4.7659 8.5584 124.0362 53.0915 43.0724 177.9382 95 G 3.9447 9.1667 117.8485 46.2901 0.0000 173.0251 *105 S 4.4701 8.1615 113.7245 58.1659 64.1138 171.7276 106 Y 5.0222 8.1817 124.3338 56.7828 41.5772 172.9501 107 L 5.0372 8.5563 128.1907 53.2931 46.3186 175.0685 108 V 4.7037 8.5357 123.0108 61.2913 35.5625 174.6366 109 R 4.7264 8.4640 127.0292 55.1308 33.6182 174.0489 110 V 3.8021 8.5449 128.6894 63.3241 31.9139 176.5952 111 V 3.7203 9.1479 129.8624 65.2891 32.0207 176.2225 112 S 4.8130 7.5999 112.5283 57.8148 65.8083 173.4052 113 T 3.7812 9.2323 120.0109 61.2738 70.4037 172.4785 114 D 4.5275 6.9700 127.2961 53.1194 39.3147 177.3890 115 Y 4.1008 7.6278 115.2415 59.8173 37.2063 170.2024 116 N 5.0803 8.7178 116.2561 52.5349 40.3916 174.0706 117 Q 5.0465 8.1733 120.5540 56.8223 35.8952 173.1783 118 Y 6.2071 7.8286 114.1632 54.8602 42.0570 172.7214 119 A 4.5618 8.1645 116.1812 51.0849 22.4891 175.3921 120 V 5.2711 8.6734 122.3764 60.2992 34.2329 174.5165 121 V 4.7046 7.9220 126.2533 60.9366 35.0252 173.6322 122 F 5.2960 8.6909 129.2707 56.5160 41.5050 174.1487 123 F 5.0308 8.5055 124.6690 55.3687 42.4518 174.2962 124 K 4.3517 8.1520 123.5910 54.4658 35.7355 174.4353 125 L 5.0488 8.2073 128.7427 53.2509 45.1987 175.0790 126 A 5.2370 8.5376 128.5877 49.6945 18.3647 175.1621 *131 E 4.3517 8.2296 117.6588 56.0586 31.3809 176.3613 132 F 4.9326 8.2998 113.1138 57.9256 42.5629 172.0201 133 F 4.7469 8.3728 110.8774 56.3812 41.1435 173.0550 134 A 4.9764 8.8203 122.0035 51.0250 23.4613 174.9371 135 I 5.4784 9.5452 119.9436 59.9391 41.6194 175.0294 136 T 4.9263 9.0148 115.2613 59.7962 72.7265 172.8907 137 I 4.4888 7.7216 123.3061 59.3062 39.9465 174.2396 138 Y 5.1485 9.7403 128.3123 57.8694 39.6120 175.2336 139 G 4.7576 9.9161 108.9385 44.7988 0.0000 173.9618 140 R 4.3266 9.4160 124.5910 58.3345 30.3262 176.9846 141 T 4.6670 7.9627 107.8839 59.4628 71.3426 174.6932 142 K 4.1447 8.1378 119.4481 57.1388 32.0640 176.8054 143 E 4.8458 7.6564 116.6471 54.8590 33.5595 174.4683 144 L 4.7703 8.1133 118.8131 52.6086 46.0676 176.1632 145 A 4.0201 8.7202 123.4466 52.7383 18.7003 178.7596 146 S 4.0791 8.9951 118.8767 62.1022 62.6537 176.9347 147 E 4.1777 8.1019 121.2804 59.1075 29.5540 178.8319 148 L 3.9156 8.1919 119.4768 57.7299 41.5331 179.7564 149 K 4.3485 7.9944 117.9746 59.3215 32.1664 179.0039 150 E 4.0206 8.0094 118.7364 59.6202 29.2902 179.2059 151 N 4.4372 8.1717 116.0459 55.9357 38.4412 177.3362 152 F 4.3968 7.8845 120.9621 61.5351 39.5778 177.1170 153 I 3.4538 8.1933 119.6621 64.5376 36.9219 178.6564 154 R 3.9219 8.1555 118.7339 59.2716 29.6801 178.9636 155 F 4.3771 8.2897 119.5899 61.1636 39.6669 177.2095 156 S 3.9016 8.1265 115.2247 61.2849 62.3820 176.5967 157 K 4.6372 8.2037 122.6593 59.0704 31.7085 179.4361 158 S 3.8072 7.8430 112.3997 60.6917 62.6886 175.3654 159 L 4.3941 7.4318 121.0257 54.2228 41.6587 176.9583 160 G 3.8640 9.0651 108.4164 45.1875 0.0000 173.3410 161 L 4.4457 7.5878 120.3260 51.8872 42.6878 174.7390 162 P 4.7321 0.0000 0.0000 61.8497 32.6529 177.0901 163 E 4.0043 8.7571 117.9767 59.4916 29.4870 178.7901 164 N 4.6339 8.2039 113.9875 54.3376 38.0013 175.3951 165 H 5.5990 8.2677 115.8372 54.9141 29.1050 173.5139 166 I 5.0318 7.5843 119.6302 59.6514 40.0563 175.3992 167 V 4.5604 8.8813 119.1988 59.5795 36.1796 174.9527 168 F 4.9651 8.6857 121.0944 53.7951 40.5331 173.0102 169 P 4.5441 0.0000 0.0000 63.1021 32.1051 176.3274 170 V 3.9049 9.0835 124.3946 61.8965 32.6172 173.5753 171 P 4.7134 0.0000 0.0000 62.8148 31.6257 175.7208 172 I 4.6680 8.3498 116.5457 59.2986 40.6078 174.7138 173 D 4.8645 8.4912 118.7981 54.5527 42.2668 176.9099 174 Q 4.2347 7.9262 119.4081 56.2567 29.4791 178.1389 175 C 4.1837 8.9626 118.7774 57.6176 39.1777 173.7738 176 I 4.1102 7.4281 110.7540 60.7483 38.0062 175.5091 177 D 4.9617 7.9394 125.5732 54.0526 40.8551 176.0858 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 4 T 8.17 4.30 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 5 S 8.29 4.53 0.00 3.89 3.66 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 6 D 8.74 4.68 0.00 2.71 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 7 L 7.39 3.88 0.00 1.57 1.65 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 8 I 8.30 3.98 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.58 1.08 0.00 0.00 9 P 0.00 4.43 0.00 2.15 2.06 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 10 A 8.40 3.04 1.14 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 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.22 0.00 1.92 1.76 0.00 2.60 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 12 P 0.00 4.28 0.00 2.14 2.13 0.00 3.57 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 1.95 1.90 0.00 13 L 8.53 3.44 0.00 1.65 1.62 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.97 4.02 0.00 3.77 3.88 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 15 K 8.27 4.09 0.00 1.62 1.77 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.26 7.81 16 V 7.36 3.91 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 0.23 0.00 0.00 -0.08 0.00 0.00 17 P 0.00 4.46 0.00 1.84 1.87 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.01 0.00 18 L 7.79 4.63 0.00 1.41 1.38 0.77 0.63 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 19 Q 8.44 3.97 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.37 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 20 Q 8.66 4.00 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.30 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 *22 F 7.98 4.58 0.00 3.04 3.08 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 0.00 23 Q 9.23 4.22 0.00 1.21 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.54 0.00 0.00 0.00 0.00 0.00 2.12 2.07 0.00 24 D 8.18 4.50 0.00 3.20 3.39 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 25 N 8.03 4.40 0.00 2.78 2.92 0.00 0.00 5.82 7.39 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 26 Q 7.60 4.31 0.00 1.73 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.86 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 27 F 7.71 5.11 0.00 3.52 3.32 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 28 H 8.15 4.57 0.00 3.72 3.66 0.00 5.56 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.05 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.80 4.65 0.00 1.33 1.35 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.28 7.81 31 W 8.85 4.84 0.00 2.47 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.22 4.75 0.00 3.18 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 33 V 8.36 4.12 1.66 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 0.61 0.00 0.00 0.09 0.00 0.00 34 V 8.74 4.02 2.28 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 1.01 0.00 0.00 1.13 0.00 0.00 35 G 7.63 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 36 L 8.88 5.37 0.00 1.65 1.45 0.97 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.47 5.14 1.05 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 38 G 8.04 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 39 N 7.85 4.40 0.00 2.73 2.62 0.00 0.00 6.83 8.52 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 40 R 7.66 4.43 0.00 1.68 1.88 0.00 3.32 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 41 I 7.38 4.08 2.16 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 1.25 0.89 0.87 0.00 0.00 42 L 8.13 4.96 0.00 1.40 1.47 0.88 0.76 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 43 R 9.24 3.99 0.00 1.94 1.97 0.00 3.71 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 44 D 8.58 4.59 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.88 4.51 0.00 2.73 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 46 Q 8.48 4.32 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.26 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 47 H 8.25 4.91 0.00 3.01 3.21 0.00 5.86 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 48 P 0.00 4.40 0.00 2.21 2.09 0.00 3.76 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 2.00 1.97 0.00 49 M 8.38 4.45 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 50 N 8.70 4.92 0.00 2.69 2.78 0.00 0.00 6.98 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 51 M 8.90 4.55 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.67 0.00 52 Y 8.57 5.17 0.00 3.22 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 53 A 8.87 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.64 4.93 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 0.79 0.00 0.00 55 I 8.76 4.74 1.74 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 1.05 0.66 0.88 0.00 0.00 56 Y 9.29 4.65 0.00 2.67 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 0.00 0.00 0.00 0.00 57 E 9.04 5.00 0.00 1.97 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 2.25 2.23 0.00 58 L 8.82 4.12 0.00 1.70 1.57 0.92 0.55 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 59 K 9.24 4.48 0.00 2.04 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.42 7.81 60 E 8.67 4.00 0.00 2.08 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 2.29 2.26 0.00 61 D 8.02 4.65 0.00 2.83 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 K 7.87 3.93 0.00 2.04 2.10 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.42 7.81 63 S 8.05 4.99 0.00 4.00 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 0.00 64 Y 9.09 5.32 0.00 3.03 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 65 N 9.26 5.02 0.00 2.81 2.75 0.00 0.00 6.38 8.26 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 66 V 8.79 4.22 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 -0.11 0.00 0.00 -0.08 0.00 0.00 67 T 8.46 4.95 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 1.26 0.00 0.00 68 S 8.86 5.07 0.00 3.69 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 69 V 8.84 4.16 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 0.48 0.00 0.00 0.47 0.00 0.00 70 I 8.50 4.93 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.64 0.82 0.00 0.00 71 S 8.57 4.87 0.00 3.98 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 72 S 9.07 4.43 0.00 3.89 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 *75 K 7.82 4.10 0.00 2.08 1.83 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 76 C 8.60 5.27 0.00 3.13 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 77 E 9.35 4.94 0.00 1.79 1.80 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 2.23 2.25 0.00 78 Y 8.96 5.12 0.00 2.75 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 79 T 8.72 4.84 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 1.19 0.00 0.00 80 I 8.32 5.16 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 1.26 0.68 0.87 0.00 0.00 81 A 8.80 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.54 4.99 4.35 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 1.37 0.00 0.00 83 F 9.17 5.61 0.00 2.98 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 84 V 8.73 4.60 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.08 0.00 0.00 85 P 0.00 4.41 0.00 2.03 2.01 0.00 3.88 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.55 0.00 86 G 8.53 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.54 4.36 0.00 3.90 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 88 Q 7.37 4.40 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.06 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 89 P 0.00 4.21 0.00 2.08 2.18 0.00 3.59 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 90 G 8.54 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 0.00 0.00 0.00 91 E 7.46 4.93 0.00 1.78 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 0.00 2.03 2.29 0.00 92 F 9.12 5.54 0.00 2.88 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 9.31 5.10 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 1.26 0.00 0.00 94 L 8.56 4.77 0.00 1.70 1.67 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 95 G 9.17 3.94 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 0.00 0.00 0.00 *105 S 8.16 4.47 0.00 3.98 3.82 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 0.00 106 Y 8.18 5.02 0.00 3.05 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 0.00 107 L 8.56 5.04 0.00 1.65 1.31 0.88 0.66 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 0.00 108 V 8.54 4.70 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 0.71 0.00 0.00 0.74 0.00 0.00 109 R 8.46 4.73 0.00 1.81 1.70 0.00 2.94 0.00 0.00 3.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.00 110 V 8.54 3.80 1.58 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 0.61 0.00 0.00 0.25 0.00 0.00 111 V 9.15 3.72 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 0.20 0.00 0.00 1.01 0.00 0.00 112 S 7.60 4.81 0.00 3.86 3.68 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 0.00 113 T 9.23 3.78 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 0.85 0.00 0.00 114 D 6.97 4.53 0.00 2.89 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 0.00 115 Y 7.63 4.10 0.00 3.26 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 0.00 116 N 8.72 5.08 0.00 2.69 2.77 0.00 0.00 6.69 7.29 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 0.00 117 Q 8.17 5.05 0.00 2.22 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.66 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 118 Y 7.83 6.21 0.00 3.22 3.17 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 0.00 119 A 8.16 4.56 0.32 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 0.00 120 V 8.67 5.27 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 1.32 0.00 0.00 1.01 0.00 0.00 121 V 7.92 4.70 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 0.26 0.00 0.00 0.97 0.00 0.00 122 F 8.69 5.30 0.00 3.19 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 0.00 123 F 8.51 5.03 0.00 2.75 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 0.00 124 K 8.15 4.35 0.00 1.42 1.42 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.24 7.81 125 L 8.21 5.05 0.00 2.06 1.15 1.16 1.12 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 0.00 126 A 8.54 5.24 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 *131 E 8.23 4.35 0.00 2.32 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 2.25 2.40 0.00 132 F 8.30 4.93 0.00 3.29 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 0.00 133 F 8.37 4.75 0.00 2.73 2.86 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 0.00 134 A 8.82 4.98 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 0.00 135 I 9.55 5.48 2.17 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 1.47 0.00 0.00 136 T 9.01 4.93 3.72 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 1.30 0.00 0.00 137 I 7.72 4.49 0.77 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 1.08 1.26 0.20 0.00 0.00 138 Y 9.74 5.15 0.00 2.44 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 0.00 139 G 9.92 4.76 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 0.00 140 R 9.42 4.33 0.00 1.71 1.88 0.00 2.58 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.45 0.00 141 T 7.96 4.67 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 1.24 0.00 0.00 142 K 8.14 4.14 0.00 1.57 1.69 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.47 0.65 7.81 143 E 7.66 4.85 0.00 1.93 1.79 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 2.23 2.23 0.00 144 L 8.11 4.77 0.00 1.64 1.58 1.09 1.03 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 0.00 145 A 8.72 4.02 1.30 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 0.00 0.00 0.00 0.00 0.00 146 S 9.00 4.08 0.00 4.02 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 0.00 147 E 8.10 4.18 0.00 2.04 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 2.40 2.39 0.00 148 L 8.19 3.92 0.00 1.77 1.53 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.99 4.35 0.00 1.80 2.00 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.65 1.72 7.81 150 E 8.01 4.02 0.00 2.19 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 2.33 2.71 0.00 151 N 8.17 4.44 0.00 2.86 2.87 0.00 0.00 6.62 8.06 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 0.00 152 F 7.88 4.40 0.00 3.17 3.40 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 0.00 153 I 8.19 3.45 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.00 0.94 0.00 0.00 154 R 8.16 3.92 0.00 2.10 2.02 0.00 3.15 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 155 F 8.29 4.38 0.00 3.01 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 0.00 156 S 8.13 3.90 0.00 3.71 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 0.00 157 K 8.20 4.64 0.00 1.92 1.83 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.45 7.81 158 S 7.84 3.81 0.00 4.03 4.13 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 0.00 159 L 7.43 4.39 0.00 1.71 1.67 0.56 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 160 G 9.07 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 0.00 0.00 0.00 161 L 7.59 4.45 0.00 1.76 1.53 0.75 0.80 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 0.00 162 P 0.00 4.73 0.00 2.24 2.20 0.00 3.66 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 2.20 2.01 0.00 163 E 8.76 4.00 0.00 2.07 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 0.00 2.42 2.33 0.00 164 N 8.20 4.63 0.00 2.82 3.04 0.00 0.00 6.17 7.90 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 0.00 165 H 8.27 5.60 0.00 3.34 3.40 0.00 5.56 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 I 7.58 5.03 2.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.54 0.71 0.00 0.00 167 V 8.88 4.56 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 0.76 0.00 0.00 0.95 0.00 0.00 168 F 8.69 4.97 0.00 2.96 3.09 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 0.00 169 P 0.00 4.54 0.00 2.19 2.23 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 170 V 9.08 3.90 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 1.05 0.00 0.00 0.98 0.00 0.00 171 P 0.00 4.71 0.00 1.95 1.92 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 172 I 8.35 4.67 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 0.71 1.04 0.00 0.00 173 D 8.49 4.86 0.00 2.68 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 0.00 174 Q 7.93 4.23 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.90 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 175 C 8.96 4.18 0.00 3.15 3.24 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 0.00 176 I 7.43 4.11 2.23 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 1.41 0.80 1.07 0.00 0.00 177 D 7.94 4.96 0.00 2.74 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 * Residues marked with a * may have inaccurate shift predictions.