NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0761 8.0549 114.0554 60.2743 31.9978 174.7353 8 P 4.1917 0.0000 0.0000 62.0604 32.0883 174.3760 9 T 4.7725 8.9966 119.3358 63.2839 70.2220 175.1160 10 V 4.3599 8.8549 116.5105 61.1571 34.7807 175.1465 *21 F 4.6663 7.7278 115.3764 56.1273 39.0108 174.1209 22 D 5.6220 8.2306 123.0871 52.8145 41.3901 177.0171 23 I 3.4785 7.9342 118.3427 64.2594 37.8215 177.1595 24 Y 4.2881 7.7785 117.4303 60.8018 37.6915 178.2231 25 S 4.2498 8.1810 115.9846 61.1441 62.8647 176.2753 26 R 3.4653 7.0654 120.4837 59.4021 30.1064 178.4233 27 L 4.1958 7.9225 118.6093 57.5020 41.5745 179.1881 28 L 4.4181 7.9574 121.9073 57.3422 41.7870 178.7106 29 K 4.3280 8.0110 118.1092 58.2258 30.7797 177.4229 30 E 4.6799 8.1780 118.5213 55.7280 30.3540 176.0912 31 R 4.0157 8.0140 115.8786 57.3843 28.2159 175.3987 32 I 4.9785 7.3019 117.1231 59.8886 39.1957 175.1334 33 V 4.6204 8.9796 127.3455 61.0458 34.5632 173.9770 34 F 5.5297 9.0886 125.3141 55.7192 41.5223 174.5592 35 L 4.7978 9.5002 126.1768 53.4932 43.9525 174.5196 36 N 5.2766 9.0268 125.2242 53.6674 41.3396 174.4139 37 G 3.8634 9.1746 115.0300 43.8265 0.0000 172.1885 38 E 4.3448 8.3108 116.0379 56.4099 30.6132 176.8056 39 V 4.1702 9.0431 122.8028 62.4894 32.7723 174.7030 40 N 5.2863 8.8476 124.3791 50.4776 41.2490 175.0613 41 D 4.3616 8.9305 117.7699 57.8239 40.6923 178.6953 42 H 4.1417 8.2324 118.2707 59.4224 30.0539 177.4324 43 S 4.1330 9.0064 116.2484 61.0709 62.9265 176.3094 44 A 4.0933 8.3186 124.8348 54.9677 18.1042 179.0467 45 N 4.2013 8.1743 115.6317 56.7587 39.0264 176.4581 46 L 3.8440 7.7444 121.7237 58.5088 41.9538 179.3424 47 V 3.7060 7.3504 116.3957 65.9779 31.4003 178.1021 48 I 3.6671 7.7575 119.4118 64.2465 36.9269 178.2498 49 A 4.0086 8.3326 121.9967 55.2990 18.1895 179.7534 50 Q 4.0772 8.1276 116.5851 59.0057 28.7591 178.9568 51 L 3.9506 8.2931 120.4455 57.8237 41.6760 179.5578 52 L 4.0335 8.2502 119.2247 57.7636 41.5357 179.3772 53 F 4.2227 8.3956 120.5958 61.2285 39.2477 177.2712 54 L 3.6294 8.1827 118.6729 57.5647 41.2264 178.6835 55 E 3.7963 7.7636 118.1216 59.6844 29.5191 178.7100 56 S 4.1607 7.6957 111.4609 61.2916 62.4798 175.7105 57 E 4.1458 7.4957 120.4681 57.9270 29.2790 177.1134 58 D 4.3661 7.6817 119.3966 52.6787 43.2478 173.0248 59 P 4.4774 0.0000 0.0000 63.9873 31.9711 176.4282 60 D 4.6987 7.9749 118.1057 55.0459 42.4517 177.1120 61 K 4.1765 8.0000 118.3093 55.9297 32.5189 176.9728 62 D 4.5212 8.6970 124.1262 55.1148 41.7155 176.1043 63 I 4.2678 8.5811 121.2423 59.6350 40.8477 174.5014 64 Y 4.8409 8.7636 123.8525 56.5550 39.9011 174.9136 65 F 5.4506 9.3654 129.4500 56.9279 40.7873 173.8551 66 Y 4.7532 9.1173 125.7378 57.1753 39.4599 174.7897 67 I 4.7406 8.9075 125.6446 59.5328 40.3216 174.3649 68 N 5.4284 9.7217 125.9713 52.1955 41.1814 172.3369 69 S 5.0930 9.3286 120.1649 56.3389 66.2486 172.7173 70 P 4.5529 0.0000 0.0000 63.1314 32.5089 177.5993 71 G 3.9016 7.6672 106.8207 45.8756 0.0000 174.4701 72 G 4.3439 8.6016 116.7760 47.0177 0.0000 173.8374 *74 V 4.1599 7.4944 120.3884 63.0644 33.1799 177.3856 75 T 3.9352 8.0547 107.7249 64.6304 68.5813 175.1827 76 A 4.1491 8.2540 125.1075 54.9256 18.6760 180.6156 77 G 3.6299 7.7698 103.3417 45.6926 0.0000 175.8809 *79 G 3.8942 8.2502 110.7690 45.2501 0.0000 176.3684 80 V 3.5521 7.5255 117.4834 65.8514 31.6051 177.0538 81 Y 4.2605 8.2489 118.4248 61.0946 38.9382 177.7249 82 D 4.5251 8.2554 119.1305 57.3522 40.9351 178.9981 83 T 4.0340 7.7034 115.2518 63.9788 68.2926 176.3673 *85 Q 4.1430 8.0968 121.7574 55.8802 30.9164 176.8425 86 F 4.3228 8.1825 119.7661 60.7566 39.5949 176.0411 87 I 3.9481 7.5976 112.5025 60.3456 38.1245 176.3011 88 K 3.9552 8.6734 122.0993 59.2035 32.0138 176.4946 89 P 4.3474 0.0000 0.0000 62.7891 32.2599 175.8587 90 D 4.3566 8.5680 122.6519 54.4355 42.2615 175.5898 91 V 4.3381 8.3033 124.0550 61.3578 32.5403 174.1313 92 S 4.9086 8.8253 124.3994 58.0628 63.7088 172.7767 93 T 5.1672 8.5355 116.9576 60.1018 71.8562 173.2969 94 I 5.0650 8.4457 123.9932 59.8809 41.4408 173.7889 95 C 4.8666 9.1042 128.7022 58.4290 32.6433 172.9762 96 I 4.5897 8.8217 119.5786 57.1942 35.5694 172.4145 97 G 3.7639 7.9828 118.7321 44.9832 0.0000 170.6227 98 L 5.2185 8.5698 119.3479 52.4847 46.9517 175.4509 99 A 5.0701 9.3941 126.5356 50.3258 21.2565 174.5246 100 A 4.7275 8.6624 122.0566 51.9493 22.0674 176.3066 101 S 3.5049 8.6715 117.0243 59.9968 62.8248 174.5936 *103 G 3.8932 7.8686 106.9163 45.5141 0.0000 174.8884 104 S 4.2445 7.8756 115.3051 60.2907 63.0608 176.3780 105 L 3.9523 7.8001 124.1015 58.1042 41.7646 178.6068 106 L 4.1703 7.8629 117.2803 57.6526 41.8140 178.7362 107 L 4.0284 7.9590 120.0738 58.2641 41.8706 179.0387 108 A 4.6927 7.4476 120.5686 54.1327 18.3922 178.9200 109 G 3.8031 7.8924 102.1388 44.4949 0.0000 174.0543 110 G 3.9898 7.1102 108.3291 45.7030 0.0000 173.5237 111 A 4.1039 8.8927 122.2358 52.1126 19.3495 177.1075 112 K 3.7221 8.8021 122.7067 58.2890 32.3218 177.0045 113 G 3.9802 9.2268 114.3034 45.8118 0.0000 173.2930 114 K 4.5039 8.1953 119.0501 56.0005 34.4193 175.4977 115 R 4.7685 8.6213 120.5449 55.0980 31.7791 175.4653 116 Y 5.3870 9.2679 121.2247 56.4456 42.6353 174.5909 117 S 5.0360 8.8850 114.5082 56.8251 65.8501 173.6448 118 L 4.8629 9.0431 127.0480 53.7270 42.1833 176.7285 119 P 4.3087 0.0000 0.0000 65.5841 31.5416 177.4343 120 S 4.5295 7.9304 112.3309 58.5143 63.3392 174.3353 121 S 4.5454 7.4802 116.5446 59.1653 63.4275 173.7073 122 Q 4.7534 8.9671 121.8415 54.4857 30.7036 174.9059 123 I 5.6536 8.3894 122.4547 58.3418 42.0020 174.1404 *125 I 3.8810 8.0390 115.7153 61.4299 39.1177 174.0030 126 H 5.0081 8.0771 117.4770 55.4022 30.4143 173.2208 127 Q 4.4174 8.3347 117.7086 54.4598 29.8118 174.3352 128 P 4.3608 0.0000 0.0000 62.7484 31.9889 175.9932 129 L 4.8652 7.7764 120.5176 53.2542 45.0513 177.0451 130 G 3.8966 7.9624 110.1868 46.4579 0.0000 171.7895 131 G 4.2483 8.2203 108.4232 43.4051 0.0000 172.4445 132 F 4.9049 8.2854 122.8260 56.0729 42.6626 174.0261 133 R 4.5206 8.5238 124.7175 53.1025 32.4021 177.1117 134 G 3.8074 8.0410 107.4531 45.3850 0.0000 172.4971 135 Q 4.1703 8.0990 118.3534 55.6229 30.7196 176.9168 136 A 4.0372 8.6379 124.5596 55.7741 18.5333 180.2353 137 S 4.0870 8.1879 112.8845 62.2043 62.9063 176.6850 138 D 4.4467 8.1009 120.6790 57.1051 40.7450 178.7799 139 I 3.8924 7.9156 120.6786 64.0989 37.0080 177.9555 140 E 3.9076 8.8563 120.5700 59.3523 29.5130 178.8839 141 I 3.6353 7.5674 119.3364 64.9320 37.2211 178.2652 142 H 4.0490 8.1961 116.6628 58.3916 28.4312 177.7382 143 A 4.0063 8.6169 123.1018 55.2113 18.2707 179.8505 144 K 3.9140 8.2728 117.2195 59.4398 32.0437 179.1604 145 N 4.2304 8.0482 117.3005 56.8053 38.9484 176.8775 146 I 3.6822 7.8093 119.8991 63.8894 38.1188 177.8273 147 L 4.0096 7.9613 120.1846 57.6928 41.3363 179.5994 148 R 3.9237 8.0903 118.0092 59.2988 29.9276 179.2204 149 I 3.6461 7.9200 119.6253 64.0671 37.1204 178.0122 150 K 3.7712 8.5360 120.9568 59.7729 31.8953 177.9991 151 D 4.2775 7.9086 117.2698 57.5059 41.1384 178.2654 152 R 3.8943 8.1198 118.6365 59.2775 30.0642 178.8745 153 L 3.8929 8.1472 118.9321 58.0458 41.5597 179.3764 154 N 4.3362 8.2130 116.1099 56.4274 38.4853 177.6954 155 K 3.9915 8.1704 119.8424 59.0830 32.0732 179.6505 156 V 3.5840 8.0484 119.0291 66.0636 31.4298 178.0963 157 L 4.0411 7.9410 118.4760 57.7854 41.4459 179.3535 158 A 3.9746 8.3582 121.0454 55.3503 18.0465 179.2277 159 H 4.0705 8.0815 115.9104 59.6921 30.1063 176.8249 160 H 4.4241 8.1876 116.2135 57.5294 28.8591 176.8685 161 T 4.7925 7.5111 111.9277 60.7254 69.4057 176.0337 162 G 3.8181 7.9391 108.6964 45.1798 0.0000 173.2578 163 Q 4.1130 7.2721 119.9979 55.0179 30.1260 175.9870 164 D 4.5027 8.2723 122.3901 53.8134 42.7753 177.2519 165 L 3.9294 8.5132 124.6319 58.6361 42.1022 179.1697 166 E 3.9503 8.2606 117.7238 59.8795 29.2867 179.3894 167 T 3.8631 7.8628 114.8867 66.7178 68.7319 176.3953 168 I 3.7724 7.6177 121.2375 64.5215 36.9639 178.3665 169 V 3.5949 7.7794 117.8165 66.2150 31.4285 177.6953 170 K 4.1223 8.0634 119.0082 59.4436 31.9254 178.0492 171 D 4.7264 8.3972 117.2160 55.4844 41.0769 176.9374 172 T 4.4824 7.4723 108.9018 61.1648 69.3020 175.6716 173 D 4.2925 7.8264 122.1482 56.9375 41.3333 176.1604 174 R 4.7229 7.4088 114.8182 53.4923 34.1025 174.2052 175 D 4.2254 8.5777 118.3515 55.4305 41.3239 176.3038 176 N 4.6706 8.1808 120.4937 51.9944 41.0289 173.6541 177 F 5.0403 8.8803 124.2626 55.6693 40.9256 176.0559 *180 A 4.4344 8.4754 122.5103 52.3821 20.4153 179.0556 181 D 4.4431 7.9651 115.4091 56.6290 39.4088 178.5111 182 E 4.0284 8.1792 119.4334 59.0654 29.5774 178.8827 183 A 4.0686 7.9628 120.5453 54.7973 18.5605 179.3687 184 K 4.1862 8.3966 119.3453 59.2651 32.1223 178.9781 185 A 4.0558 7.9331 119.4888 55.1217 18.3387 178.4533 186 Y 4.1843 7.9123 116.9470 58.6962 39.3012 176.3259 187 G 4.0173 7.9352 107.3390 45.1854 0.0000 175.3014 188 L 4.1380 8.3730 121.1255 56.6531 41.9612 176.7239 189 I 5.0019 7.4016 110.0346 59.2441 40.8671 174.9398 190 D 4.4742 8.7490 119.9625 55.7998 42.1971 177.2435 191 H 4.9368 7.6360 113.5568 54.0459 33.6237 172.6936 192 V 4.7179 8.5374 122.0364 61.5535 32.4389 174.5159 193 I 4.5354 8.6409 128.5609 59.5653 39.9407 175.6704 194 E 4.5333 8.9916 127.0737 57.1590 31.1644 176.6402 195 S 4.7297 7.5223 112.6933 56.3873 66.8264 175.0076 196 R 3.9286 8.6121 123.9364 59.1277 30.0451 177.3135 197 E 4.1060 8.1059 113.3287 57.1486 30.1419 176.2279 198 A 4.4972 7.3662 122.5804 51.2116 20.1744 177.3296 199 I 4.0552 8.2097 121.3369 61.4592 37.4182 175.8303 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 7 V 8.05 4.08 2.11 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 0.99 0.00 0.00 0.95 0.00 0.00 8 P 0.00 4.19 0.00 2.16 1.91 0.00 3.43 0.00 0.00 3.69 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 9 T 9.00 4.77 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 1.37 0.00 0.00 10 V 8.85 4.36 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 0.62 0.00 0.00 0.85 0.00 0.00 *21 F 7.73 4.67 0.00 3.21 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 22 D 8.23 5.62 0.00 2.90 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 23 I 7.93 3.48 1.61 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.16 0.00 0.00 24 Y 7.78 4.29 0.00 3.24 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 25 S 8.18 4.25 0.00 3.84 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.07 3.47 0.00 1.23 1.82 0.00 3.39 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00 27 L 7.92 4.20 0.00 1.97 1.89 1.07 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.96 4.42 0.00 2.06 1.95 1.13 0.37 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 29 K 8.01 4.33 0.00 2.15 2.02 0.00 1.98 0.00 0.00 1.99 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.66 7.81 30 E 8.18 4.68 0.00 2.24 1.98 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 2.30 2.38 0.00 31 R 8.01 4.02 0.00 2.16 2.00 0.00 3.10 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 32 I 7.30 4.98 2.17 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 1.33 1.34 0.90 0.00 0.00 33 V 8.98 4.62 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 0.97 0.00 0.00 0.94 0.00 0.00 34 F 9.09 5.53 0.00 2.97 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 35 L 9.50 4.80 0.00 2.12 1.60 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.03 5.28 0.00 2.78 2.66 0.00 0.00 7.48 7.98 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 37 G 9.17 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 38 E 8.31 4.34 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 39 V 9.04 4.17 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 1.00 0.00 0.00 0.99 0.00 0.00 40 N 8.85 5.29 0.00 2.89 2.89 0.00 0.00 6.54 7.69 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 41 D 8.93 4.36 0.00 2.73 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 42 H 8.23 4.14 0.00 3.26 3.47 0.00 5.86 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 9.01 4.13 0.00 4.08 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 44 A 8.32 4.09 1.45 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 0.00 0.00 0.00 45 N 8.17 4.20 0.00 2.98 2.79 0.00 0.00 6.86 6.17 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 46 L 7.74 3.84 0.00 1.87 1.62 0.83 0.86 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 47 V 7.35 3.71 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 0.64 0.00 0.00 1.04 0.00 0.00 48 I 7.76 3.67 1.99 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 1.43 0.60 0.90 0.00 0.00 49 A 8.33 4.01 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 50 Q 8.13 4.08 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 51 L 8.29 3.95 0.00 1.74 1.66 0.71 0.26 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 52 L 8.25 4.03 0.00 1.74 1.78 0.94 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.40 4.22 0.00 3.16 3.30 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 54 L 8.18 3.63 0.00 1.69 1.62 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 55 E 7.76 3.80 0.00 2.00 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 0.00 2.27 2.27 0.00 56 S 7.70 4.16 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.15 0.00 1.80 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 1.52 1.47 0.00 58 D 7.68 4.37 0.00 2.51 2.45 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 0.00 59 P 0.00 4.48 0.00 2.15 2.08 0.00 3.73 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 1.93 1.93 0.00 60 D 7.97 4.70 0.00 2.65 2.70 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 0.00 0.00 0.00 0.00 61 K 8.00 4.18 0.00 1.60 1.72 0.00 2.10 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.45 7.81 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0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 71 G 7.67 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 0.00 0.00 0.00 72 G 8.60 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 0.00 0.00 0.00 0.00 *74 V 7.49 4.16 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 1.00 0.00 0.00 0.93 0.00 0.00 75 T 8.05 3.94 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 76 A 8.25 4.15 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 77 G 7.77 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 0.00 0.00 0.00 *79 G 8.25 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.53 3.55 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 90 D 8.57 4.36 0.00 2.76 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.30 4.34 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 1.03 0.00 0.00 0.84 0.00 0.00 92 S 8.83 4.91 0.00 3.99 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 93 T 8.54 5.17 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 1.36 0.00 0.00 94 I 8.45 5.06 1.26 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.51 0.94 0.00 0.00 95 C 9.10 4.87 0.00 3.02 2.83 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 96 I 8.82 4.59 1.98 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 1.15 0.00 0.00 97 G 7.98 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.57 5.22 0.00 1.79 1.62 1.00 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0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 108 A 7.45 4.69 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 0.00 109 G 7.89 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 0.00 110 G 7.11 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 0.00 111 A 8.89 4.10 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 0.00 112 K 8.80 3.72 0.00 1.77 1.77 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 113 G 9.23 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 0.00 114 K 8.20 4.50 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.58 7.81 115 R 8.62 4.77 0.00 1.80 1.81 0.00 3.19 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.66 0.77 0.00 0.00 142 H 8.20 4.05 0.00 3.10 3.28 0.00 5.82 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 0.00 143 A 8.62 4.01 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 0.00 144 K 8.27 3.91 0.00 1.90 1.85 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.51 7.81 145 N 8.05 4.23 0.00 2.81 2.72 0.00 0.00 6.85 7.89 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 0.00 146 I 7.81 3.68 1.87 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 1.51 1.18 0.98 0.00 0.00 147 L 7.96 4.01 0.00 1.97 1.69 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.09 3.92 0.00 2.02 1.96 0.00 3.10 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 149 I 7.92 3.65 2.00 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 1.39 0.77 0.89 0.00 0.00 150 K 8.54 3.77 0.00 1.85 2.04 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.46 7.81 151 D 7.91 4.28 0.00 2.86 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 0.00 152 R 8.12 3.89 0.00 1.85 1.93 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 153 L 8.15 3.89 0.00 1.81 1.69 0.90 0.70 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 0.00 154 N 8.21 4.34 0.00 2.95 2.87 0.00 0.00 7.09 7.69 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 0.00 155 K 8.17 3.99 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.56 7.81 156 V 8.05 3.58 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 0.78 0.00 0.00 0.76 0.00 0.00 157 L 7.94 4.04 0.00 1.93 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.36 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 0.00 159 H 8.08 4.07 0.00 3.21 3.54 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.19 4.42 0.00 3.25 3.51 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 7.51 4.79 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 1.30 0.00 0.00 162 G 7.94 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 0.00 0.00 0.00 163 Q 7.27 4.11 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.81 0.00 0.00 0.00 0.00 0.00 1.99 2.20 0.00 164 D 8.27 4.50 0.00 2.70 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 0.00 165 L 8.51 3.93 0.00 1.74 1.67 0.92 0.95 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 0.00 166 E 8.26 3.95 0.00 2.09 2.00 0.00 0.00 0.00 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 2.48 0.00 167 T 7.86 3.86 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 1.30 0.00 0.00 168 I 7.62 3.77 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.35 1.00 0.00 0.00 169 V 7.78 3.59 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 0.79 0.00 0.00 1.01 0.00 0.00 170 K 8.06 4.12 0.00 2.14 1.80 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.53 7.81 171 D 8.40 4.73 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 7.47 4.48 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 1.25 0.00 0.00 173 D 7.83 4.29 0.00 2.68 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 0.00 174 R 7.41 4.72 0.00 1.76 1.75 0.00 3.29 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 175 D 8.58 4.23 0.00 2.41 2.04 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 0.00 176 N 8.18 4.67 0.00 2.68 2.55 0.00 0.00 7.18 6.36 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 0.00 177 F 8.88 5.04 0.00 2.94 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 *180 A 8.48 4.43 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 0.00 181 D 7.97 4.44 0.00 2.90 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 0.00 182 E 8.18 4.03 0.00 2.05 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 0.00 2.42 2.39 0.00 183 A 7.96 4.07 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 0.00 184 K 8.40 4.19 0.00 1.87 2.05 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.42 7.81 185 A 7.93 4.06 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 0.00 186 Y 7.91 4.18 0.00 3.13 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 0.00 187 G 7.94 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 0.00 188 L 8.37 4.14 0.00 1.94 1.78 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 189 I 7.40 5.00 2.01 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 1.48 0.94 0.92 0.00 0.00 190 D 8.75 4.47 0.00 2.26 2.41 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 0.00 191 H 7.64 4.94 0.00 3.02 3.21 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 8.54 4.72 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 193 I 8.64 4.54 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 0.92 0.00 0.00 194 E 8.99 4.53 0.00 1.99 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 2.23 2.31 0.00 195 S 7.52 4.73 0.00 3.82 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 0.00 196 R 8.61 3.93 0.00 1.74 1.93 0.00 3.19 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 197 E 8.11 4.11 0.00 2.11 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 0.00 2.26 2.30 0.00 198 A 7.37 4.50 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 0.00 199 I 8.21 4.06 1.88 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 1.27 0.65 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.