NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4483 8.3049 120.3906 55.3828 33.5250 175.2853 2 L 4.1866 8.3351 125.9617 52.7467 41.2873 175.5500 3 D 4.2971 8.7259 127.1274 57.0289 42.0018 178.9441 4 A 3.8716 7.6671 120.7502 54.4193 18.5806 178.4015 5 F 5.1631 7.8478 113.5009 57.4990 39.1228 177.6924 6 S 4.1686 7.9230 117.4585 61.9330 62.6576 176.8408 7 R 3.9543 7.9578 121.1231 58.3895 29.8620 178.9552 8 V 3.5134 7.7506 117.8421 66.2391 31.4234 178.4047 9 V 3.5992 7.7421 110.4604 63.4659 31.4187 177.6012 10 T 4.3291 7.4008 107.6925 60.4865 69.0563 174.1229 11 N 4.1485 7.9036 117.0719 54.3976 36.9011 175.6300 12 A 4.1137 8.0621 123.2229 54.9184 18.6245 177.8941 13 D 4.6389 7.5566 112.5208 53.1122 42.1198 174.8898 14 S 4.6384 8.3360 112.4946 58.1202 63.0398 174.7195 15 K 4.0846 7.8666 120.5411 55.7448 32.3276 177.0948 16 A 3.9332 8.3627 126.0494 51.9144 19.0067 176.5123 17 A 4.5667 8.0499 123.4814 50.2732 21.6839 175.4944 18 Y 4.9724 8.3613 118.4392 56.1870 40.9119 175.6930 19 V 4.2268 8.7573 123.5113 61.0338 32.9616 173.9526 20 G 4.2547 7.9880 115.7854 43.9572 0.0000 171.6900 21 G 3.6030 8.5104 107.2997 46.2796 0.0000 176.2865 22 A 3.9626 8.5731 121.3186 55.2226 18.1869 179.1778 23 D 4.2653 8.0240 117.0598 57.3553 40.9356 178.6033 24 L 3.9339 7.9726 120.9399 57.9704 42.1566 178.4998 25 Q 3.9598 8.3232 119.5950 59.4289 28.9576 178.5982 26 A 4.0379 8.1643 121.5728 54.9067 18.4188 179.1844 27 L 3.9518 8.1714 119.1565 58.5016 41.9441 179.5040 28 K 4.1287 8.0976 116.7250 58.6689 32.0408 178.6850 29 K 4.3100 7.4837 116.5370 57.4263 32.3987 178.5061 30 F 4.3973 8.0883 121.3477 60.1269 39.6757 175.5329 31 I 4.0180 7.2567 110.4200 59.7831 38.7501 175.0919 32 S 4.5296 8.2390 115.7610 57.4241 64.8879 172.9927 33 E 3.7943 8.7636 117.0124 56.8683 27.2169 177.5647 34 G 3.6890 8.2241 105.8718 48.2396 0.0000 174.6551 35 N 4.3631 8.0987 119.0120 55.8478 38.6074 177.5852 36 K 3.9705 8.0258 119.2947 59.3199 32.1339 179.2065 37 R 3.8963 8.5375 119.3900 59.5324 29.9884 178.6672 38 L 4.0253 8.1139 118.7740 57.8466 41.6169 179.1650 39 D 4.3853 8.4366 119.3985 57.2074 40.5770 179.0604 40 S 4.1381 8.3000 115.0651 61.4617 63.0028 176.5612 41 V 3.5711 7.8937 122.4460 65.5950 31.2597 177.3166 42 N 4.2455 8.3283 116.9459 56.8712 38.5700 176.9558 43 S 4.0669 7.9832 114.0624 60.8777 63.3480 176.3177 44 I 3.8587 7.4445 123.7585 64.3687 37.3143 178.6859 45 V 3.6912 7.9932 113.3431 64.3044 31.1625 178.5267 46 S 4.3625 7.9917 113.3396 60.0057 62.7612 174.5638 47 N 4.8297 7.5692 118.8438 52.7796 39.1718 176.4544 48 A 3.9954 7.9949 123.2699 55.4664 18.3208 180.6771 49 S 4.0733 8.0445 113.1457 62.0360 62.8674 176.4859 50 C 4.2364 7.9235 122.0737 61.7792 31.4249 175.3478 51 I 3.7761 8.0645 121.7061 64.4444 36.6678 178.6221 52 V 3.6429 8.0266 119.2133 66.0487 31.4197 178.2265 53 S 4.1157 8.2639 114.2015 61.5576 62.7558 175.9422 54 D 4.4038 8.5802 121.8660 56.7910 40.8538 178.0949 55 A 3.9536 8.1696 121.4307 55.1571 18.4491 179.8663 56 V 3.5434 8.0745 117.2744 66.1715 31.6306 178.4795 57 S 4.3004 8.5753 114.4883 61.0828 62.8456 176.7788 58 G 3.5320 8.3448 109.8702 47.7207 0.0000 175.1413 59 M 3.9953 8.2736 121.1879 58.7475 31.8578 178.5359 60 I 3.7801 7.9023 119.8216 64.4631 37.1156 178.2592 61 C 4.2879 8.3120 114.6070 61.2380 29.4853 175.4853 62 E 4.2910 8.1529 120.4765 57.7137 30.4292 176.6094 63 N 4.9290 7.8550 116.6142 50.6654 39.3361 172.5325 64 P 4.5300 0.0000 0.0000 63.9903 32.2628 178.8093 65 S 4.2404 8.2381 112.5541 60.6123 62.7071 176.2690 66 L 4.0441 8.1158 121.8781 56.9460 41.4300 178.3773 67 I 4.5780 7.6151 109.9431 60.2664 37.8680 175.6631 68 S 4.3567 7.7693 116.6963 57.6101 63.4079 173.4138 69 P 2.0000 0.0000 0.0000 63.9377 30.9135 177.5146 70 S 4.6100 7.2703 109.9197 57.9589 64.7843 175.0361 71 G 4.3956 7.4403 116.9374 45.2907 0.0000 175.6244 *73 C 4.3700 8.6368 123.3669 58.8785 29.6143 172.9511 74 Y 4.1676 7.8893 122.1504 58.6427 39.1652 175.5114 75 T 3.3381 7.6095 113.9001 62.0278 69.0919 172.3790 76 N 4.2514 8.4842 120.0707 56.4505 38.5007 177.5648 77 R 3.8545 7.8540 119.4996 59.6363 30.2054 178.7237 78 R 3.9324 7.7801 117.2368 59.2891 29.9917 178.5544 79 M 3.9631 8.1253 117.8107 58.7761 32.1577 178.1149 80 A 3.9604 8.3350 120.8313 55.1488 18.4438 179.4463 81 A 3.9745 8.1133 119.2957 55.3016 18.3346 179.5122 82 C 4.0505 8.3284 117.2849 62.6679 31.7463 175.6895 83 L 3.9878 8.1564 120.8679 57.7575 41.1673 179.4955 84 R 3.9064 8.3853 118.8972 59.7034 29.9893 178.3061 85 D 4.5935 8.5667 119.0981 57.2778 40.7118 178.9458 86 G 3.7225 8.4835 106.6074 47.8780 0.0000 175.3497 87 E 3.9773 8.3402 121.8178 58.9358 29.6196 178.7478 88 I 3.7389 8.2236 120.2960 64.5900 37.1490 178.3513 89 I 3.7951 8.1292 120.6546 64.4355 36.9090 178.1681 90 L 4.0143 8.2841 121.2994 58.4086 41.9115 179.3181 91 R 3.9683 8.3924 119.6937 58.8722 29.9436 178.6582 92 Y 3.9514 8.2531 116.8197 60.9135 37.8070 178.5974 93 V 3.4335 8.1265 119.7878 66.0006 30.9972 178.2718 94 S 4.1152 8.2767 114.2500 61.5564 62.7388 175.9044 95 Y 3.7444 8.1017 122.9930 60.1318 38.5192 177.4083 96 A 4.3116 8.0370 123.2687 54.4659 18.0823 179.4206 97 L 4.1236 7.7414 117.9307 58.0242 42.2501 178.5027 98 L 4.0308 7.8097 120.0255 57.9941 42.1253 178.6177 99 S 4.4177 7.7968 111.9906 58.1151 63.4170 174.6694 100 G 3.9948 8.4019 110.0349 45.5370 0.0000 172.8262 101 D 4.6231 7.6023 117.6436 51.6164 44.2190 175.2821 102 A 4.1286 8.6967 126.6848 52.6867 18.7638 179.2285 103 S 4.0649 8.5806 115.5385 61.7326 62.9297 176.9383 104 V 3.5782 7.8129 120.2274 65.6680 31.3468 177.4225 105 L 3.8530 7.9645 119.6565 58.3499 41.9368 178.7166 106 E 3.9069 8.3848 118.5663 59.4991 29.1872 179.0085 107 D 4.3830 8.1689 117.6633 56.1343 41.3158 178.1389 108 R 4.3375 7.9810 115.9164 55.8585 31.1268 175.9372 109 C 4.1700 7.3079 116.3290 60.4888 33.5900 174.6275 110 L 4.0822 7.6189 118.9120 56.4677 41.7646 176.2478 111 N 4.4660 7.7567 117.7515 55.4652 38.8398 174.9579 112 G 3.9263 8.8667 115.1350 45.4450 0.0000 174.4487 113 L 3.6196 8.0092 121.7605 57.8306 42.0294 178.4584 114 K 3.9436 7.9614 119.1199 59.8245 32.1180 178.4178 115 E 4.0983 8.0592 118.1793 59.4492 29.4045 179.2872 116 T 3.8196 7.6372 115.4286 66.9299 68.5414 176.2423 117 Y 4.5153 7.9586 118.7059 61.2477 37.7157 178.9073 118 S 4.2029 8.7110 116.8034 61.7003 62.7631 176.9504 119 S 4.1584 7.9715 115.6752 61.2080 62.8079 175.8664 120 L 4.3527 7.9767 120.6484 54.4454 41.6832 177.2525 121 G 3.7991 7.6308 106.8596 46.2530 0.0000 173.7893 122 V 3.6744 7.7593 120.5655 61.0726 31.7689 174.5138 123 P 4.3459 0.0000 0.0000 62.7183 32.2726 177.0610 124 A 3.9726 8.6244 125.2408 54.8100 18.5958 179.0643 125 N 4.2701 8.0678 115.2778 56.3282 37.4261 177.5961 126 S 4.0955 7.9340 117.1696 61.1329 62.9739 175.9294 127 N 4.2062 8.3058 119.6270 56.6479 38.5878 176.6854 128 A 4.0055 8.3079 122.4778 55.1792 18.3698 179.6407 129 R 3.7836 7.9024 116.5787 59.3187 30.1116 178.3988 130 A 3.9713 8.1177 120.7287 55.3634 18.2962 179.7969 131 V 3.6195 8.0103 116.6677 66.2073 31.6364 178.1183 132 S 4.0205 8.3408 113.1171 61.4178 62.1485 176.3198 133 I 3.6716 7.9551 122.5927 64.5625 36.8260 178.1505 134 M 3.9704 8.1114 119.6721 58.2112 31.6988 178.6122 135 K 2.4800 7.6360 119.5853 59.0293 32.3137 178.5963 136 A 3.8620 7.7516 120.7869 55.2044 18.2375 179.3505 137 C 3.8556 8.1491 115.0226 62.9222 28.2887 176.2233 138 A 4.2480 8.0993 122.3374 55.2175 17.9297 179.6898 139 V 3.5584 8.0429 116.7789 66.2712 31.3449 178.1660 140 A 3.9025 7.6158 119.0622 55.1101 18.2245 179.3525 141 F 4.4461 7.9077 115.5403 60.6741 39.0290 177.9122 142 V 3.8401 7.9270 117.0797 65.0520 32.8957 176.6988 143 N 4.5299 8.1459 119.3966 51.8713 37.1519 172.8202 144 N 4.6909 7.9100 117.3062 52.2496 39.5711 173.8536 145 T 4.3738 8.3312 115.4694 61.3787 69.1369 174.6566 146 A 4.2541 8.0962 125.6823 51.9161 19.1743 178.1410 147 S 4.3768 8.2685 113.8135 57.8536 64.1589 175.0085 148 Q 3.8981 8.8734 122.3400 59.3585 28.7368 178.8713 149 K 3.8237 8.1992 116.9983 59.1664 32.0213 176.9832 150 K 4.3752 8.0761 115.3282 56.2902 32.6698 176.2428 151 L 4.7007 7.5061 119.6601 53.1388 43.1045 176.8290 152 S 4.4419 8.5935 115.6769 59.1808 63.7087 173.7336 153 T 4.7195 7.3335 110.2262 58.7243 71.5007 171.8259 154 P 4.4825 0.0000 0.0000 62.2438 31.8717 176.7452 155 Q 4.0553 9.1356 121.9143 56.2322 28.9907 176.0275 156 G 3.7753 7.8549 107.7400 45.9368 0.0000 171.5401 157 D 4.6707 8.7190 119.3540 53.5428 41.1784 175.9463 158 C 4.7833 8.3638 124.8710 59.7129 29.1285 175.9849 159 S 4.2814 8.5959 120.2066 61.3832 62.3208 176.3993 160 G 3.5462 7.9928 108.8349 47.8023 0.0000 175.6124 161 L 4.0001 7.9353 121.2796 57.1611 41.6288 179.3652 162 A 4.0133 8.1255 120.9560 55.1536 18.3463 179.5832 163 S 4.0104 8.2745 111.8209 61.3506 61.9365 175.9784 164 E 3.6911 8.3445 122.3839 59.2431 29.4270 179.2465 165 V 3.8833 8.1382 119.6076 64.6835 31.3513 178.3499 166 G 3.9269 8.4287 106.6275 47.7908 0.0000 175.7855 167 G 3.5650 8.0996 108.0809 47.6459 0.0000 175.4323 168 Y 4.3845 7.4765 118.4613 61.0729 37.8167 178.4540 169 F 4.2628 8.3921 118.7202 60.8578 38.9168 177.4899 170 D 4.4453 8.5702 118.6423 57.2631 40.5449 178.9786 171 K 4.0157 8.1660 119.2557 59.2288 32.0211 179.4822 172 V 3.5887 7.6807 118.0488 66.4026 31.5460 178.0217 173 T 3.9018 8.2648 115.4008 66.8766 68.1239 176.4093 174 A 4.0347 8.1675 121.1840 55.0821 18.4454 179.2616 175 A 4.1196 8.0363 118.9146 54.3828 18.5885 178.8966 176 I 4.3413 7.5491 108.8204 61.3199 38.7478 176.0262 177 S 4.3259 7.9649 121.7509 58.9364 62.6859 173.7874 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 M 8.30 4.45 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 2 L 8.34 4.19 0.00 2.08 1.55 1.03 1.00 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 3 D 8.73 4.30 0.00 2.56 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.67 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 7.85 5.16 0.00 3.30 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.92 4.17 0.00 4.08 4.14 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 7 R 7.96 3.95 0.00 1.87 2.10 0.00 3.12 0.00 0.00 3.47 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 8 V 7.75 3.51 2.24 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 0.85 0.00 0.00 0.89 0.00 0.00 9 V 7.74 3.60 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 0.33 0.00 0.00 1.01 0.00 0.00 10 T 7.40 4.33 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 1.22 0.00 0.00 11 N 7.90 4.15 0.00 2.87 2.90 0.00 0.00 6.87 7.46 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 12 A 8.06 4.11 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 13 D 7.56 4.64 0.00 2.71 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.34 4.64 0.00 3.84 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 15 K 7.87 4.08 0.00 1.86 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 16 A 8.36 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.05 4.57 1.43 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 18 Y 8.36 4.97 0.00 3.01 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 19 V 8.76 4.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.63 0.00 0.00 20 G 7.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.57 3.96 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 23 D 8.02 4.27 0.00 2.92 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 24 L 7.97 3.93 0.00 1.96 1.86 0.96 0.48 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 25 Q 8.32 3.96 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 26 A 8.16 4.04 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 27 L 8.17 3.95 0.00 1.82 1.88 0.99 0.97 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 28 K 8.10 4.13 0.00 1.81 1.89 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.64 7.81 29 K 7.48 4.31 0.00 1.91 1.90 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 30 F 8.09 4.40 0.00 2.95 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 31 I 7.26 4.02 1.88 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 1.57 0.76 1.05 0.00 0.00 32 S 8.24 4.53 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.76 3.79 0.00 2.17 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 2.32 2.28 0.00 34 G 8.22 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 35 N 8.10 4.36 0.00 2.76 2.89 0.00 0.00 7.01 8.09 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 36 K 8.03 3.97 0.00 1.94 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.51 7.81 37 R 8.54 3.90 0.00 1.93 2.14 0.00 3.11 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 38 L 8.11 4.03 0.00 1.88 1.72 0.96 0.99 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 39 D 8.44 4.39 0.00 2.87 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 40 S 8.30 4.14 0.00 4.09 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 0.00 41 V 7.89 3.57 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 1.01 0.00 0.00 42 N 8.33 4.25 0.00 3.03 2.93 0.00 0.00 7.04 7.26 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 43 S 7.98 4.07 0.00 4.03 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 44 I 7.44 3.86 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.92 1.02 0.00 0.00 45 V 7.99 3.69 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 0.95 0.00 0.00 0.90 0.00 0.00 46 S 7.99 4.36 0.00 3.79 3.85 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 47 N 7.57 4.83 0.00 2.26 2.56 0.00 0.00 6.73 7.01 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 48 A 7.99 4.00 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 49 S 8.04 4.07 0.00 3.88 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 50 C 7.92 4.24 0.00 3.03 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 51 I 8.06 3.78 2.10 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 1.69 0.93 1.02 0.00 0.00 52 V 8.03 3.64 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 1.21 0.00 0.00 1.01 0.00 0.00 53 S 8.26 4.12 0.00 4.10 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 54 D 8.58 4.40 0.00 2.93 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.46 0.00 63 N 7.85 4.93 0.00 2.75 2.61 0.00 0.00 7.09 7.53 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 64 P 0.00 4.53 0.00 2.21 2.09 0.00 3.93 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 65 S 8.24 4.24 0.00 3.98 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 66 L 8.12 4.04 0.00 1.85 1.78 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.62 4.58 1.97 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 1.39 0.78 1.00 0.00 0.00 68 S 7.77 4.36 0.00 3.97 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 2.00 0.00 1.73 1.59 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 70 S 7.27 4.61 0.00 3.96 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 71 G 7.44 4.40 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 0.00 *73 C 8.64 4.37 0.00 3.19 3.04 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 74 Y 7.89 4.17 0.00 3.11 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.61 3.34 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 0.95 0.00 0.00 76 N 8.48 4.25 0.00 2.70 2.88 0.00 0.00 6.61 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 77 R 7.85 3.85 0.00 1.85 1.90 0.00 3.18 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 78 R 7.78 3.93 0.00 2.09 1.98 0.00 3.41 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 79 M 8.13 3.96 0.00 2.11 2.19 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 2.60 2.61 0.00 80 A 8.34 3.96 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 81 A 8.11 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.33 4.05 0.00 3.00 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 83 L 8.16 3.99 0.00 1.87 1.73 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.39 3.91 0.00 1.94 2.19 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 85 D 8.57 4.59 0.00 3.02 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 86 G 8.48 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 0.00 0.00 0.00 0.00 87 E 8.34 3.98 0.00 2.10 2.15 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 2.32 2.36 0.00 88 I 8.22 3.74 2.11 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 1.58 0.64 1.13 0.00 0.00 89 I 8.13 3.80 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.90 1.02 0.00 0.00 90 L 8.28 4.01 0.00 1.98 1.90 1.21 1.39 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 91 R 8.39 3.97 0.00 1.86 1.79 0.00 3.11 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 92 Y 8.25 3.95 0.00 2.99 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 93 V 8.13 3.43 1.88 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 0.45 0.00 0.00 0.52 0.00 0.00 94 S 8.28 4.12 0.00 4.07 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 95 Y 8.10 3.74 0.00 3.01 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 96 A 8.04 4.31 0.49 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 97 L 7.74 4.12 0.00 1.78 1.89 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0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.38 3.91 0.00 2.16 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 2.33 2.48 0.00 107 D 8.17 4.38 0.00 2.62 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 0.00 108 R 7.98 4.34 0.00 1.68 1.86 0.00 3.18 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 109 C 7.31 4.17 0.00 1.34 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 0.00 110 L 7.62 4.08 0.00 1.84 1.65 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 N 7.76 4.47 0.00 2.79 2.81 0.00 0.00 7.42 8.04 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 0.00 112 G 8.87 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 0.00 0.00 0.00 113 L 8.01 3.62 0.00 1.77 1.62 0.28 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 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7.76 3.67 1.91 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 0.32 0.00 0.00 0.98 0.00 0.00 123 P 0.00 4.35 0.00 2.38 2.16 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 124 A 8.62 3.97 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 0.00 125 N 8.07 4.27 0.00 2.92 3.09 0.00 0.00 6.28 7.14 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 0.00 126 S 7.93 4.10 0.00 3.98 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 0.00 127 N 8.31 4.21 0.00 2.82 2.75 0.00 0.00 7.13 7.25 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 0.00 128 A 8.31 4.01 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 0.00 129 R 7.90 3.78 0.00 1.96 2.05 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 130 A 8.12 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 V 8.01 3.62 2.29 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 1.30 0.00 0.00 1.10 0.00 0.00 132 S 8.34 4.02 0.00 3.90 4.03 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 0.00 133 I 7.96 3.67 1.85 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 1.49 0.54 0.88 0.00 0.00 134 M 8.11 3.97 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.62 0.00 135 K 7.64 2.48 0.00 1.13 1.66 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.25 1.28 7.81 136 A 7.75 3.86 1.29 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 0.00 0.00 0.00 137 C 8.15 3.86 0.00 3.21 3.12 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 0.00 138 A 8.10 4.25 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.04 3.56 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 140 A 7.62 3.90 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 0.00 141 F 7.91 4.45 0.00 3.24 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 0.00 142 V 7.93 3.84 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.10 0.00 0.00 143 N 8.15 4.53 0.00 2.70 2.84 0.00 0.00 7.23 8.46 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 0.00 144 N 7.91 4.69 0.00 3.03 2.77 0.00 0.00 7.26 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 0.00 145 T 8.33 4.37 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 0.00 146 A 8.10 4.25 1.29 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 0.00 0.00 0.00 147 S 8.27 4.38 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.87 3.90 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 149 K 8.20 3.82 0.00 1.74 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.56 7.81 150 K 8.08 4.38 0.00 1.91 1.85 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.40 7.81 151 L 7.51 4.70 0.00 1.74 1.60 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 152 S 8.59 4.44 0.00 3.98 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 0.00 153 T 7.33 4.72 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 1.33 0.00 0.00 154 P 0.00 4.48 0.00 2.07 2.04 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 155 Q 9.14 4.06 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.32 0.00 156 G 7.85 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 0.00 157 D 8.72 4.67 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 C 8.36 4.78 0.00 3.17 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 0.00 159 S 8.60 4.28 0.00 4.04 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 0.00 160 G 7.99 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 161 L 7.94 4.00 0.00 1.73 1.77 0.96 0.89 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 0.00 162 A 8.13 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 S 8.27 4.01 0.00 3.88 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 E 8.34 3.69 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 1.85 2.02 0.00 165 V 8.14 3.88 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 1.00 0.00 0.00 1.16 0.00 0.00 166 G 8.43 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 0.00 0.00 0.00 167 G 8.10 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 0.00 168 Y 7.48 4.38 0.00 3.04 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 0.00 169 F 8.39 4.26 0.00 3.37 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 0.00 170 D 8.57 4.45 0.00 2.91 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 0.00 171 K 8.17 4.02 0.00 2.10 1.91 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.68 7.81 172 V 7.68 3.59 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 1.14 0.00 0.00 0.99 0.00 0.00 173 T 8.26 3.90 4.47 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 1.25 0.00 0.00 174 A 8.17 4.03 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 0.00 175 A 8.04 4.12 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 0.00 176 I 7.55 4.34 2.07 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 1.83 0.80 1.05 0.00 0.00 177 S 7.96 4.33 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.