NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0669 7.8827 121.4437 61.1742 37.3993 173.7892 17 V 4.3931 8.0779 125.1859 61.6893 33.0510 174.2414 18 G 3.8303 8.9985 114.2937 46.3547 0.0000 173.6502 19 G 4.1781 7.1264 107.9284 44.6429 0.0000 172.9445 20 Y 4.9268 7.8416 117.3368 55.5558 42.0046 174.8341 21 T 4.2318 8.6397 117.7728 64.0096 68.8103 175.1252 22 C 4.4569 8.4757 124.6478 56.6951 39.5721 174.4074 23 G 3.6941 8.5569 110.4977 44.9463 0.0000 172.8326 24 A 4.3064 8.6196 124.9623 53.5269 18.2168 176.9874 25 N 4.2380 8.8274 120.4629 55.0181 36.5601 175.8239 26 T 4.2127 8.1699 108.7379 62.6794 69.9899 174.9702 27 V 3.9428 7.0202 121.6538 60.3838 31.3444 173.8157 28 P 4.3985 0.0000 0.0000 64.7254 32.1458 178.3224 29 Y 5.1439 6.8255 115.6466 57.0462 38.7854 174.6547 30 Q 4.5507 6.9777 123.5734 56.2564 29.6597 175.3180 31 V 4.8575 8.8962 118.3417 59.7113 36.8276 174.0141 32 S 5.0856 8.8529 116.1604 56.6325 65.2563 172.5394 33 L 4.6550 8.8159 127.3635 53.4956 43.2038 175.0386 34 N 5.6579 9.1638 122.4697 50.4500 42.1984 174.7507 *37 S 4.4155 8.5340 119.1545 58.3851 63.6219 173.5368 38 G 3.8026 8.1951 111.6472 45.9100 0.0000 174.0431 39 Y 4.6794 6.9168 116.0442 55.9317 40.2866 172.8152 40 H 4.4310 8.9486 120.9763 56.4826 30.2313 174.5946 41 F 5.0284 8.1131 119.2629 56.8435 39.8799 173.8600 42 C 4.7325 6.9379 115.0066 55.5867 44.9672 173.4353 43 G 4.2831 8.2428 108.3059 45.4680 0.0000 172.1709 44 G 4.2714 8.1067 105.1492 45.8241 0.0000 172.6997 45 S 5.4312 8.8350 116.0807 56.3430 66.4979 173.5448 46 L 4.8006 9.1676 128.0932 54.8652 42.5283 177.1060 47 I 4.4268 8.4162 119.4785 60.5652 38.3943 174.3951 48 N 4.4060 7.6198 117.7241 52.4265 39.4108 174.9925 49 S 4.2591 8.5002 112.3878 61.1691 62.9155 175.3692 50 Q 4.4546 8.1961 116.2949 55.0871 30.4420 174.6250 51 W 5.5243 8.3042 117.9050 55.4072 33.4881 174.3470 52 V 4.9612 9.3181 123.6535 61.1176 34.5756 174.0722 53 V 4.8680 9.0329 127.1073 61.6179 33.9363 174.6495 54 S 4.7038 9.0415 121.2884 57.3056 66.3569 172.3770 55 A 4.6350 8.4546 121.3500 51.2171 19.6034 178.6342 56 A 3.8342 8.2895 123.8869 55.2591 18.4964 179.2930 57 H 4.5382 8.0066 109.1758 57.2829 28.6800 175.3024 58 C 4.7738 7.6930 117.2694 57.2992 40.4414 173.2116 59 Y 4.2618 7.7320 122.4318 57.5817 38.8532 175.0854 60 K 4.0723 6.9727 124.3423 54.9432 36.1655 175.5546 61 S 4.1816 8.0623 115.8492 58.7759 64.0173 173.8036 62 G 3.8307 8.5307 108.5283 46.7392 0.0000 173.8978 63 I 4.2129 7.5470 119.6976 61.0293 38.7273 175.2428 64 Q 4.8738 9.0436 124.2525 54.1213 32.4905 174.4408 65 V 4.6017 8.9441 123.5336 61.3327 33.8469 174.2467 66 R 4.4676 8.7650 128.6205 54.4901 31.9793 174.6969 67 L 4.8766 8.4337 125.4740 52.3776 46.2722 177.0584 *69 G 4.1582 8.3771 106.6153 44.2733 0.0000 172.8480 70 E 4.4968 8.1022 120.6390 54.3449 32.0198 174.0925 71 D 4.7269 9.0289 127.4161 57.3475 42.1818 176.1927 72 N 5.2215 8.2270 117.2591 52.9611 38.9806 175.4617 73 I 3.3864 8.8421 127.3593 62.8910 37.9522 176.2736 74 N 4.6500 8.7052 118.7370 54.3303 39.4026 176.2295 75 V 3.6965 7.9421 117.3659 61.6761 31.8358 175.3774 76 V 4.3351 8.0626 122.2116 62.2400 33.5504 174.5339 77 E 3.9627 9.7475 127.7142 57.3030 29.5273 174.4393 78 G 4.2641 8.2606 113.4753 45.3159 0.0000 175.3675 79 N 4.9790 8.6463 122.3136 52.5609 39.0987 173.5369 80 E 5.1105 7.9195 117.2978 55.5578 31.5246 175.9776 81 Q 4.5646 8.2026 117.7158 54.2326 32.8489 174.2003 82 F 5.0356 9.0415 122.7725 55.9572 40.8097 175.2278 83 I 4.6404 8.6986 125.1148 59.2185 40.4851 175.6661 84 S 4.5790 8.7497 122.6745 58.4255 64.2099 173.1718 85 A 4.6320 8.6313 126.0063 51.9148 18.3604 177.6918 86 S 4.5370 9.0952 117.3536 59.2868 64.8195 174.9154 87 K 4.6549 7.6119 119.0118 55.0043 36.6345 175.5379 88 S 4.9997 8.8518 119.5566 57.0742 65.6934 173.4550 89 I 4.3281 9.2529 127.5305 59.5212 38.2069 175.5777 90 V 4.1681 8.2045 127.5087 62.1192 32.7422 175.2102 91 H 4.2367 8.8471 127.0317 55.9967 30.1497 174.4428 92 P 4.3936 0.0000 0.0000 65.0914 31.2090 176.9814 93 S 4.7357 8.1351 113.5611 58.1640 63.2295 173.1859 94 Y 4.4938 8.1871 123.2592 57.9603 39.0036 174.6266 95 N 4.5117 8.3958 125.7262 51.4634 39.9391 174.8878 96 S 4.0188 7.8575 119.3327 59.0390 63.5221 174.4580 97 N 4.6380 8.6183 119.1698 55.3490 39.3110 176.3925 98 T 4.0587 7.9892 105.3929 61.7694 69.5699 175.3603 99 L 3.9110 8.2323 120.7920 55.2065 39.9179 174.0093 100 N 4.4288 7.8265 117.7062 54.6158 39.6499 174.4064 101 N 4.0572 8.5558 119.3217 54.6735 35.9671 175.8542 102 D 4.6295 7.8508 117.6993 52.8211 39.9046 174.9459 103 I 4.8664 7.3691 121.0124 59.4269 42.3673 172.7441 104 M 5.3535 9.4070 126.8420 54.1208 36.3858 173.2321 105 L 5.4482 9.2474 124.3680 53.0911 45.1695 175.4098 106 I 4.9971 9.1988 124.0267 59.4177 40.5962 174.2707 107 K 3.7655 8.6090 128.8678 54.5055 33.6521 175.5048 108 L 4.4940 7.9893 127.7437 53.9965 41.9933 177.1445 109 K 4.1463 8.8554 124.8687 59.0628 32.6192 176.8811 110 S 4.6411 7.6935 111.3047 55.8955 66.1945 173.0602 111 A 4.4057 8.4010 122.7909 52.0628 18.7525 177.0676 112 A 4.5446 8.3566 123.2026 50.7598 20.8810 177.3629 113 S 4.3418 8.3362 116.7393 58.2519 63.2101 174.8416 114 L 4.6791 8.5113 125.0172 54.5970 42.6616 175.0062 115 N 4.5444 9.2055 123.2581 52.2105 37.2806 177.7701 116 S 3.4455 7.2602 110.1400 60.8810 64.3373 174.5567 117 R 4.4612 8.4606 115.9960 55.7763 31.3846 176.0594 118 V 4.3375 7.5215 118.3871 61.1901 32.7647 173.3708 119 A 5.2025 8.5019 128.2945 49.6799 22.6298 175.3166 120 S 4.9520 8.7571 114.4353 58.1573 64.6142 173.0271 121 I 4.4562 8.3563 122.1288 58.9995 39.4171 175.6035 122 S 4.3211 8.4478 123.5724 57.9428 63.8506 173.9789 123 L 4.2720 8.1183 122.8369 53.4710 42.3521 175.2221 124 P 4.4582 0.0000 0.0000 63.0898 32.0529 176.3151 125 T 4.1712 8.2251 108.9551 62.3577 70.0809 174.5813 *127 S 4.5248 7.5704 114.7484 57.9834 64.0422 174.0899 128 C 4.3335 8.3854 118.2172 56.6754 40.5764 173.7333 129 A 4.2759 8.0416 125.6406 51.8414 19.3303 176.6811 130 S 4.5596 7.8679 113.2192 56.6611 65.7883 173.8508 *132 A 4.3333 8.2520 124.1024 53.5472 19.2839 176.6488 133 G 4.0623 9.3648 110.5279 45.4993 0.0000 174.4869 134 T 3.9328 7.6608 117.2907 63.8032 69.3256 173.6275 135 Q 4.4985 8.6857 128.1843 56.2185 30.0742 175.4165 136 C 5.1908 9.3653 122.6423 55.1407 45.3759 172.2982 137 L 5.2325 8.5219 121.8574 53.5876 43.5139 175.3128 138 I 4.7647 8.8835 127.6969 59.6002 39.9605 174.9007 139 S 4.8847 8.5844 119.4000 56.4595 66.6292 172.9636 140 G 3.6829 7.2075 107.6195 46.2497 0.0000 173.0949 141 W 4.6143 8.5536 116.8592 56.2545 29.3704 176.9734 142 G 4.1218 7.9546 108.6311 44.4920 0.0000 173.2323 143 N 3.4609 8.5667 117.5714 54.1111 38.9302 174.5026 144 T 5.0510 7.8909 112.9450 60.5631 69.6846 174.3403 145 K 4.5997 7.7442 121.9880 54.6182 34.3825 176.4814 146 S 4.2875 8.6890 117.8368 60.2538 63.6806 174.6839 147 S 4.5705 8.0891 113.3785 59.3250 64.7451 174.1209 148 G 4.0238 7.7155 115.0369 45.7717 0.0000 174.1630 149 T 4.4535 8.2104 122.1474 62.8784 72.1595 174.2894 150 S 4.3675 9.2818 123.5426 57.3531 64.9088 171.8804 151 Y 4.7639 8.5504 125.3359 56.0858 38.6603 174.3051 152 P 4.6071 0.0000 0.0000 62.8504 32.6271 175.7640 153 D 4.7241 8.6830 118.5078 55.7384 42.2533 176.7009 154 V 5.1628 7.6905 109.8497 58.8376 35.0747 175.6209 155 L 3.2517 8.5167 125.1305 55.2943 43.0647 176.0612 156 K 4.8158 8.2935 125.0854 54.9626 34.9663 174.6599 157 C 5.1992 8.6817 119.8006 55.1835 42.5207 172.9382 158 L 4.8818 8.4645 122.3266 53.8001 45.6798 174.4825 159 K 5.0925 8.9057 125.5424 55.2235 33.2559 175.8253 160 A 4.8837 8.9421 126.7534 49.5672 22.7541 173.2305 161 P 5.0877 0.0000 0.0000 61.9247 33.7907 175.3232 162 I 4.2344 8.5051 122.8633 61.5801 38.0869 175.4525 163 L 5.0069 8.8878 127.0610 52.9815 43.6064 176.9480 164 S 4.2795 8.5388 115.8517 58.3601 63.7430 175.1293 165 D 4.4605 8.8613 122.7844 57.5732 40.3873 179.1529 166 S 4.0970 8.0763 113.4436 61.5503 62.5268 176.2659 167 S 4.2667 7.9849 115.9348 60.8394 62.8785 175.6482 168 C 4.3077 8.1443 122.7168 59.8378 40.8397 175.7090 169 K 3.9671 8.3507 120.1310 59.4583 31.3338 179.6258 170 S 4.1555 7.8032 114.5162 61.2632 62.7898 176.1549 171 A 4.0221 7.7322 122.9769 53.7863 19.7253 177.3762 172 Y 4.7816 7.8157 114.0265 54.8080 38.2368 172.5255 173 P 4.5140 0.0000 0.0000 63.3612 32.2062 177.0416 174 G 3.9780 9.0118 109.9985 46.1817 0.0000 173.6826 175 Q 4.4839 8.1552 117.3659 55.3750 30.6771 175.6400 176 I 4.1702 7.7515 119.3310 60.0813 38.1769 175.6043 177 T 4.4745 8.1128 116.0595 59.8078 70.6231 175.4423 178 S 4.3540 8.5052 115.0263 60.2609 63.0505 174.3932 179 N 4.9054 7.9295 117.8358 53.2302 38.4151 174.1848 180 M 4.9652 7.7621 116.9829 53.8104 35.9701 174.5237 181 F 4.9913 7.9152 113.3170 56.0939 40.8704 174.1068 182 C 5.0356 8.8349 118.9692 55.8821 37.4535 172.5259 183 A 5.3201 7.6823 121.7736 50.2574 22.7043 176.4552 *1184 G 4.3845 8.5306 106.7300 46.6421 0.0000 172.7628 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 16 I 7.88 4.07 1.77 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 1.21 0.82 0.81 0.00 0.00 17 V 8.08 4.39 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 1.02 0.00 0.00 0.92 0.00 0.00 18 G 9.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.13 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 20 Y 7.84 4.93 0.00 3.03 3.02 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 0.00 0.00 0.00 21 T 8.64 4.23 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 1.23 0.00 0.00 22 C 8.48 4.46 0.00 2.78 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 23 G 8.56 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 24 A 8.62 4.31 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 25 N 8.83 4.24 0.00 2.90 2.91 0.00 0.00 7.07 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 26 T 8.17 4.21 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 1.24 0.00 0.00 27 V 7.02 3.94 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 0.25 0.00 0.00 0.73 0.00 0.00 28 P 0.00 4.40 0.00 2.37 2.27 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 29 Y 6.83 5.14 0.00 3.24 3.42 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 30 Q 6.98 4.55 0.00 1.66 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 1.73 2.27 0.00 31 V 8.90 4.86 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 0.99 0.00 0.00 0.99 0.00 0.00 32 S 8.85 5.09 0.00 3.33 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 33 L 8.82 4.66 0.00 0.62 1.12 0.78 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.16 5.66 0.00 2.72 2.89 0.00 0.00 6.66 7.63 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 *37 S 8.53 4.42 0.00 3.58 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 38 G 8.20 3.80 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 0.00 0.00 0.00 39 Y 6.92 4.68 0.00 3.08 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 40 H 8.95 4.43 0.00 2.95 3.26 0.00 5.87 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.11 5.03 0.00 2.98 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 42 C 6.94 4.73 0.00 1.83 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 43 G 8.24 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.11 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 0.00 0.00 0.00 0.00 45 S 8.83 5.43 0.00 3.78 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 46 L 9.17 4.80 0.00 1.84 1.65 1.07 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.42 4.43 1.89 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 1.61 0.92 0.93 0.00 0.00 48 N 7.62 4.41 0.00 2.94 3.01 0.00 0.00 5.97 7.64 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 49 S 8.50 4.26 0.00 4.05 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 50 Q 8.20 4.45 0.00 1.84 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 51 W 8.30 5.52 0.00 3.44 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 52 V 9.32 4.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 53 V 9.03 4.87 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 54 S 9.04 4.70 0.00 3.84 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 55 A 8.45 4.64 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 56 A 8.29 3.83 0.46 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 57 H 8.01 4.54 0.00 3.40 3.55 0.00 5.55 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 58 C 7.69 4.77 0.00 3.20 3.22 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 59 Y 7.73 4.26 0.00 3.01 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 60 K 6.97 4.07 0.00 1.39 1.27 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.38 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.02 1.25 7.81 61 S 8.06 4.18 0.00 3.94 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 62 G 8.53 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.55 4.21 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.94 0.00 0.00 64 Q 9.04 4.87 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 V 8.94 4.60 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 0.96 0.00 0.00 0.89 0.00 0.00 66 R 8.77 4.47 0.00 1.13 1.34 0.00 2.58 0.00 0.00 2.72 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.52 0.00 67 L 8.43 4.88 0.00 1.59 1.52 0.94 0.56 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 *69 G 8.38 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 0.00 0.00 0.00 70 E 8.10 4.50 0.00 1.91 1.75 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 2.17 2.70 0.00 71 D 9.03 4.73 0.00 2.74 2.78 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 N 8.23 5.22 0.00 2.82 2.85 0.00 0.00 7.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.84 3.39 0.73 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.39 0.81 0.00 0.00 74 N 8.71 4.65 0.00 2.80 2.84 0.00 0.00 6.98 7.23 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 75 V 7.94 3.70 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 0.78 0.00 0.00 0.97 0.00 0.00 76 V 8.06 4.34 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 0.81 0.00 0.00 1.00 0.00 0.00 77 E 9.75 3.96 0.00 2.13 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 2.21 2.39 0.00 78 G 8.26 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 0.00 0.00 0.00 0.00 79 N 8.65 4.98 0.00 2.76 2.84 0.00 0.00 7.02 7.20 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 80 E 7.92 5.11 0.00 1.92 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 2.20 2.03 0.00 81 Q 8.20 4.56 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 82 F 9.04 5.04 0.00 2.87 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 83 I 8.70 4.64 1.85 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 1.23 0.66 0.93 0.00 0.00 84 S 8.75 4.58 0.00 3.76 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 85 A 8.63 4.63 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 86 S 9.10 4.54 0.00 3.76 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 87 K 7.61 4.65 0.00 1.57 1.72 0.00 1.64 0.00 0.00 1.90 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.38 7.81 88 S 8.85 5.00 0.00 4.03 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 89 I 9.25 4.33 2.01 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.95 0.00 0.00 90 V 8.20 4.17 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 0.73 0.00 0.00 0.83 0.00 0.00 91 H 8.85 4.24 0.00 3.43 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.39 0.00 2.20 2.14 0.00 3.29 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 93 S 8.14 4.74 0.00 3.99 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 94 Y 8.19 4.49 0.00 3.11 2.96 0.00 0.00 0.00 0.00 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0.00 111 A 8.40 4.41 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 0.00 112 A 8.36 4.54 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 0.00 113 S 8.34 4.34 0.00 3.75 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 0.00 114 L 8.51 4.68 0.00 1.65 1.62 0.96 1.24 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 0.00 115 N 9.21 4.54 0.00 2.84 2.98 0.00 0.00 7.04 5.12 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 0.00 116 S 7.26 3.45 0.00 3.84 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 0.00 117 R 8.46 4.46 0.00 1.93 1.88 0.00 3.18 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 118 V 7.52 4.34 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 0.98 0.00 0.00 0.95 0.00 0.00 119 A 8.50 5.20 1.33 0.00 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7.81 146 S 8.69 4.29 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 0.00 147 S 8.09 4.57 0.00 3.81 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 0.00 148 G 7.72 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.21 4.45 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 150 S 9.28 4.37 0.00 3.81 3.63 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 0.00 151 Y 8.55 4.76 0.00 2.97 2.97 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 0.00 152 P 0.00 4.61 0.00 2.47 2.09 0.00 4.11 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 2.19 2.05 0.00 153 D 8.68 4.72 0.00 2.68 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 0.00 154 V 7.69 5.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.97 0.00 0.00 155 L 8.52 3.25 0.00 1.38 1.28 -0.67 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.29 4.82 0.00 1.66 1.50 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.48 7.81 157 C 8.68 5.20 0.00 1.90 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 0.00 0.00 0.00 0.00 158 L 8.46 4.88 0.00 1.64 1.37 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.91 5.09 0.00 1.76 1.80 0.00 1.81 0.00 0.00 1.98 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 160 A 8.94 4.88 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 0.00 161 P 0.00 5.09 0.00 2.15 2.20 0.00 3.84 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 2.19 2.01 0.00 162 I 8.51 4.23 1.97 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.01 0.88 0.00 0.00 163 L 8.89 5.01 0.00 1.56 1.64 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.54 4.28 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 0.00 165 D 8.86 4.46 0.00 2.73 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 0.00 166 S 8.08 4.10 0.00 3.90 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 0.00 167 S 7.98 4.27 0.00 4.11 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 0.00 168 C 8.14 4.31 0.00 3.29 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 0.00 169 K 8.35 3.97 0.00 1.87 1.88 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.70 7.81 170 S 7.80 4.16 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 A 7.73 4.02 1.08 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 0.00 0.00 172 Y 7.82 4.78 0.00 3.09 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 0.00 173 P 0.00 4.51 0.00 2.06 2.05 0.00 3.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 174 G 9.01 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 0.00 175 Q 8.16 4.48 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.67 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 176 I 7.75 4.17 1.93 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 1.58 0.90 0.96 0.00 0.00 177 T 8.11 4.47 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 1.21 0.00 0.00 178 S 8.51 4.35 0.00 4.02 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 0.00 179 N 7.93 4.91 0.00 2.78 2.88 0.00 0.00 6.71 7.08 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 0.00 180 M 7.76 4.97 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 181 F 7.92 4.99 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 C 8.83 5.04 0.00 3.02 3.13 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 0.00 183 A 7.68 5.32 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 *1184 G 8.53 4.38 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 * Residues marked with a * may have inaccurate shift predictions.