NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.8061 0.0000 0.0000 62.7894 33.8905 178.3420 3 V 3.4484 7.9332 117.3171 65.7541 31.5194 177.1447 4 K 3.9980 8.2071 123.1882 59.5629 32.0315 180.1195 5 K 4.1239 8.0023 120.5303 59.2517 32.1351 178.4716 6 L 3.7847 8.1836 120.9225 58.0990 41.9119 179.0499 7 K 3.7748 8.2051 118.6487 59.4694 31.9751 179.0924 8 Q 3.9786 8.2241 119.8237 58.9972 28.5931 178.1546 9 F 4.1524 8.3231 121.6142 61.4586 39.4462 177.2099 10 L 3.8066 8.1456 118.9232 57.7003 41.2435 179.3414 11 D 4.4171 8.5753 119.5799 57.4114 40.5973 178.9000 12 S 4.0996 7.8109 113.5068 61.3047 62.8732 175.2811 13 H 4.4564 7.3842 116.6023 54.2322 29.1642 174.9296 14 K 3.8354 8.0407 119.6398 57.3645 29.9980 175.5656 15 I 4.1559 7.8898 118.5173 60.4082 38.2498 176.4956 16 K 4.2687 8.5861 124.7996 55.7408 32.0392 175.6594 17 Y 5.1677 7.6909 121.1009 55.3698 41.2424 174.2896 18 L 4.8344 9.0059 120.6132 53.1411 44.6532 176.1862 19 S 4.8296 8.6208 117.4181 56.9261 65.6940 173.4907 20 I 4.3561 9.1177 126.6913 59.5643 39.0463 174.4365 21 A 5.1096 8.4565 129.1930 50.3736 20.9031 175.1137 22 H 4.5794 8.7976 120.8708 54.0846 30.0173 176.0508 23 S 4.3779 8.9490 117.7421 57.5868 63.3998 173.5593 24 P 4.3604 0.0000 0.0000 65.4162 31.0582 177.5043 25 A 4.1276 7.4146 121.2991 54.4790 18.4922 177.4501 26 Y 4.2827 7.9102 114.8992 58.0915 38.5973 176.6350 27 T 4.4203 9.1240 115.6307 60.6897 71.6778 175.9484 28 A 4.0097 8.4159 123.0901 55.2460 18.1531 179.7247 29 Q 3.9225 8.0099 116.9379 59.3864 29.3789 178.0642 30 E 4.2144 8.0307 116.6155 58.8308 29.7412 178.9136 31 I 3.8427 7.5068 120.1149 63.5021 38.2648 177.3831 32 A 4.1727 7.5148 124.2761 52.5641 15.5636 177.2283 *37 V 4.0432 7.7844 112.8625 60.6655 33.4649 176.4028 38 S 4.2548 7.9500 114.1127 59.2442 63.4757 173.2628 39 G 4.1783 8.7615 119.3933 46.3818 0.0000 174.5022 40 K 4.0487 7.5181 121.3659 53.5561 32.1106 179.6234 41 Q 4.2364 8.4466 126.2249 53.7076 27.6567 173.8205 42 L 4.1958 8.2890 125.1106 55.4087 43.1748 174.9788 43 A 5.2663 9.0540 128.6344 50.2749 20.9115 176.1872 44 K 4.7318 9.2266 120.4574 55.3494 36.2378 174.9762 45 T 5.0596 8.4811 118.0142 61.9077 70.5473 173.8475 46 V 4.4489 8.6435 126.3004 61.0896 34.2350 174.6733 47 I 4.5066 8.3709 128.4811 60.3349 38.7745 174.8635 48 I 5.0324 8.6448 119.9578 59.0979 41.6388 173.9502 49 K 5.5578 9.0171 121.2544 53.1350 36.1340 176.4006 *51 D 4.6752 7.8031 117.5847 54.7448 41.8386 177.2971 52 G 3.9128 8.4968 105.9000 45.5365 0.0000 173.7581 53 R 4.5314 7.3834 120.1824 53.9422 31.7358 175.2320 54 L 4.5468 8.3561 125.0374 55.0390 43.1637 176.0261 55 A 4.1543 8.4088 127.4494 50.9213 23.8922 175.7391 *57 V 4.1104 8.4095 114.7105 63.8801 33.3911 174.9228 58 V 4.9375 9.1225 128.5704 61.0579 33.8346 174.3312 59 L 4.9490 8.6447 126.8974 53.5626 44.6459 173.2310 60 P 4.7645 0.0000 0.0000 62.5206 31.7135 177.8613 61 A 3.9326 9.0672 127.4601 55.1984 18.3969 178.9007 62 S 4.3372 7.9702 107.8708 59.3657 63.7357 173.7027 63 D 4.9131 7.7985 121.3320 53.1275 42.6945 175.3176 64 H 4.9897 8.1831 116.6874 54.0160 32.5158 173.7182 65 I 4.1343 8.2923 123.6638 61.1454 38.1954 175.5148 66 T 4.7866 8.0032 112.6265 59.5385 71.6898 175.2954 67 F 4.0970 8.6680 122.2932 58.7167 39.1046 177.1925 *69 K 4.2209 8.2226 119.9293 55.9874 34.0672 178.3623 70 L 3.8994 7.7332 118.4338 57.4725 41.3548 179.3608 71 K 3.8704 7.7788 121.2179 58.9280 31.8442 178.4654 72 E 3.8405 7.9549 117.4807 59.0013 29.6343 178.1644 73 A 4.1195 7.5687 120.0755 54.9323 18.7034 179.1739 74 I 3.9607 7.9820 117.4440 62.3712 37.6423 177.5042 75 G 3.9257 8.3694 106.0935 45.1426 0.0000 172.7121 76 T 4.6123 7.4561 113.4261 60.3237 69.8133 174.4930 77 S 4.5883 8.4224 120.6178 59.4190 64.0851 174.8847 78 D 4.8244 7.7281 121.8524 53.1160 39.4747 173.7858 79 L 5.2957 8.0104 120.2757 52.4886 45.7152 175.2760 80 E 4.8479 8.7716 119.2291 55.1726 33.2922 174.3845 81 L 4.5821 8.4922 120.8004 54.6239 42.5390 176.7693 82 A 4.5416 8.5774 124.7823 51.7553 19.5965 177.8119 83 T 4.2297 9.5649 117.3894 62.9901 69.6411 176.1432 84 E 4.0513 8.8633 123.4854 59.7672 29.2664 179.9270 85 S 3.8544 8.0416 112.5503 61.3267 63.0435 175.9457 86 E 4.2208 7.8054 121.4128 59.2638 29.4264 176.4285 87 F 4.9702 8.0139 119.4911 59.3295 45.4296 175.5871 88 E 4.0488 8.6832 119.4927 59.5231 29.5961 179.9228 89 G 3.6906 8.6159 107.0504 47.9796 0.0000 174.8365 90 K 3.7973 7.6244 118.5664 58.0345 32.2295 177.4758 91 F 4.5681 7.3813 118.5098 55.0012 38.3814 175.6382 92 A 4.0113 8.0244 126.8711 54.7554 18.8040 179.1446 93 E 3.9781 8.1585 115.4593 58.4416 30.0176 175.7152 94 C 4.6507 7.6242 119.6600 57.9562 32.1661 173.3230 95 D 4.6041 9.1876 127.4020 54.2315 41.8713 176.3884 96 V 3.6769 8.3073 122.0298 64.5873 31.7465 176.4548 97 G 3.9143 9.9579 116.6727 45.0743 0.0000 172.7283 98 A 4.4268 7.8410 123.3473 49.6719 20.1569 173.9358 *100 P 4.2979 0.0000 0.0000 62.2436 32.5223 174.9335 101 P 4.5054 0.0000 0.0000 63.6037 32.1653 177.3128 102 F 4.5098 8.0233 116.0623 57.1898 38.1178 177.1462 103 G 3.7445 7.7460 109.9559 47.6329 0.0000 172.8618 104 N 4.2476 8.0691 118.7178 55.8460 36.9192 176.6386 105 L 3.8921 7.4380 119.2254 56.0883 41.8948 176.9722 106 Y 4.7843 7.0567 114.8341 56.9405 39.4719 175.9181 107 G 4.1067 7.8260 106.0681 46.4742 0.0000 173.4341 108 L 4.5981 7.9520 119.7676 51.9516 42.9042 175.2672 109 P 4.3662 0.0000 0.0000 62.6625 32.3920 175.7196 110 V 4.3349 8.2581 122.2872 61.0496 34.3509 173.8972 111 L 5.1008 8.4857 127.2703 52.9664 44.3829 175.2273 112 V 4.8265 8.6795 124.4334 60.6247 34.3657 174.7536 113 S 4.7368 9.2552 123.6902 58.7431 63.1110 175.4076 114 T 4.0461 8.7883 116.3183 63.7045 68.7281 176.6168 115 K 4.0771 7.6201 121.3189 58.8995 32.0695 178.5308 116 L 4.1705 7.8207 119.5261 56.7824 41.3488 178.7705 117 S 2.7900 7.2692 111.8292 59.6060 62.7325 175.8702 118 A 4.0284 7.5336 123.4935 53.3705 18.6939 177.3561 119 Q 4.3769 6.7228 115.6272 54.9264 30.2357 176.0006 120 D 4.5483 8.6803 120.3579 56.7328 41.0438 176.0665 121 N 5.7000 8.0035 114.3944 51.3098 43.2006 173.2140 122 I 4.7397 8.7136 120.8017 59.2110 40.8438 173.9331 123 L 5.0979 8.5362 130.5134 53.2050 45.0705 175.0832 124 F 5.3364 7.7559 119.0067 55.2341 40.8988 173.3073 125 N 4.6688 8.7484 119.0379 53.3969 38.8765 175.5111 126 A 4.5848 8.7304 125.0671 51.0326 19.7409 174.7049 127 G 4.2117 11.1591 111.6360 46.0122 0.0000 171.4083 128 S 4.9768 7.1382 110.8415 58.0038 65.5792 174.5153 129 H 4.4653 8.7250 117.1060 57.2850 28.8800 176.5207 130 S 4.4731 8.0211 113.3211 58.1239 63.9441 173.0742 131 E 5.0477 7.8745 120.6998 54.9234 32.0479 175.1055 132 L 5.2454 8.6621 126.1487 51.9486 45.8615 174.7127 *134 Q 4.8284 8.6911 118.9584 56.8908 30.4374 174.9305 135 L 5.1959 8.2318 124.3082 54.1197 44.5947 175.1793 136 S 4.9214 8.7108 113.5114 57.6548 63.8820 175.1945 137 F 4.2215 9.3658 125.2259 61.3377 39.0601 177.8662 138 G 3.7534 8.3270 105.0793 47.9716 0.0000 175.2594 139 D 4.3738 8.2422 121.4315 56.8906 40.7929 178.4904 140 F 4.0797 8.1492 121.1519 61.3893 39.3108 176.7320 141 E 3.2503 8.2056 119.0021 59.0438 29.1431 178.9391 142 K 3.8917 7.6989 117.4717 59.2767 32.1357 179.0822 143 L 4.1551 7.5931 118.4444 57.5504 41.8080 179.0204 144 V 3.6824 7.4269 116.7040 62.4890 32.4954 175.8333 145 K 3.6850 7.7159 116.9000 56.7257 29.6740 172.5558 146 P 4.5900 0.0000 0.0000 62.8856 33.4012 176.8526 147 T 4.4815 8.5344 117.1573 62.1324 70.0895 174.3923 148 L 4.8249 8.5257 126.9909 54.5433 42.6576 176.7657 149 V 4.5536 8.9455 116.8243 59.7635 36.0292 174.7358 150 T 4.6550 8.4524 120.2543 62.5309 69.4528 175.0453 151 L 4.3264 8.3191 125.5003 54.9143 42.5835 176.3358 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 2 P 0.00 4.81 0.00 2.14 2.06 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 3 V 7.93 3.45 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 1.10 0.00 0.00 0.96 0.00 0.00 4 K 8.21 4.00 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.07 7.81 5 K 8.00 4.12 0.00 1.85 2.02 0.00 1.72 0.00 0.00 1.51 0.00 0.00 2.60 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.40 1.47 7.81 6 L 8.18 3.78 0.00 1.66 1.73 -0.36 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.21 3.77 0.00 1.85 1.95 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 8 Q 8.22 3.98 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 9 F 8.32 4.15 0.00 3.12 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 10 L 8.15 3.81 0.00 1.49 1.69 0.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.58 4.42 0.00 2.72 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 12 S 7.81 4.10 0.00 3.96 4.07 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 13 H 7.38 4.46 0.00 3.02 3.21 0.00 6.00 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.04 3.84 0.00 1.86 1.86 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.52 7.81 15 I 7.89 4.16 2.11 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 1.46 0.77 1.11 0.00 0.00 16 K 8.59 4.27 0.00 1.77 1.76 0.00 1.70 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 17 Y 7.69 5.17 0.00 3.03 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 18 L 9.01 4.83 0.00 1.47 1.57 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.62 4.83 0.00 3.73 3.77 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 20 I 9.12 4.36 1.80 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 1.10 0.58 0.75 0.00 0.00 21 A 8.46 5.11 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.80 4.58 0.00 2.83 2.74 0.00 5.87 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 23 S 8.95 4.38 0.00 4.08 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 24 P 0.00 4.36 0.00 2.23 2.27 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 25 A 7.41 4.13 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 26 Y 7.91 4.28 0.00 3.24 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 27 T 9.12 4.42 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 1.26 0.00 0.00 28 A 8.42 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 29 Q 8.01 3.92 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.06 0.00 0.00 0.00 0.00 0.00 2.34 1.99 0.00 30 E 8.03 4.21 0.00 2.32 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 0.00 2.66 2.58 0.00 31 I 7.51 3.84 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.65 0.73 0.00 0.00 32 A 7.51 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *37 V 7.78 4.04 2.08 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 0.80 0.00 0.00 0.98 0.00 0.00 38 S 7.95 4.25 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 39 G 8.76 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 40 K 7.52 4.05 0.00 1.79 1.63 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 0.99 7.81 41 Q 8.45 4.24 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 42 L 8.29 4.20 0.00 1.82 1.56 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 43 A 9.05 5.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.23 4.73 0.00 1.77 1.90 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.38 7.81 45 T 8.48 5.06 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 1.19 0.00 0.00 46 V 8.64 4.45 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 0.80 0.00 0.00 0.95 0.00 0.00 47 I 8.37 4.51 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 0.80 0.00 0.00 48 I 8.64 5.03 1.96 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 1.19 0.81 0.91 0.00 0.00 49 K 9.02 5.56 0.00 1.67 1.75 0.00 2.02 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.22 7.81 *51 D 7.80 4.68 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 52 G 8.50 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 0.00 0.00 0.00 53 R 7.38 4.53 0.00 1.83 1.76 0.00 3.16 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 L 8.36 4.55 0.00 1.59 1.39 1.08 0.75 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 55 A 8.41 4.15 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 *57 V 8.41 4.11 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 1.01 0.00 0.00 0.91 0.00 0.00 58 V 9.12 4.94 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 0.79 0.00 0.00 0.92 0.00 0.00 59 L 8.64 4.95 0.00 1.71 1.70 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.76 0.00 2.07 1.99 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.08 0.00 61 A 9.07 3.93 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 62 S 7.97 4.34 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 63 D 7.80 4.91 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.99 0.00 3.07 3.17 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.29 4.13 1.90 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 1.47 0.48 0.91 0.00 0.00 66 T 8.00 4.79 4.30 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 1.25 0.00 0.00 67 F 8.67 4.10 0.00 3.08 3.05 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 *69 K 8.22 4.22 0.00 1.84 1.86 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 70 L 7.73 3.90 0.00 1.56 1.55 0.89 0.71 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 71 K 7.78 3.87 0.00 0.97 1.48 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.33 7.81 72 E 7.95 3.84 0.00 1.94 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 2.27 2.41 0.00 73 A 7.57 4.12 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.96 1.79 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 1.41 0.65 0.87 0.00 0.00 75 G 8.37 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 76 T 7.46 4.61 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 1.25 0.00 0.00 77 S 8.42 4.59 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 D 7.73 4.82 0.00 2.72 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 79 L 8.01 5.30 0.00 1.66 1.54 0.56 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.77 4.85 0.00 2.07 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 2.23 2.31 0.00 81 L 8.49 4.58 0.00 1.58 1.66 0.95 0.82 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 82 A 8.58 4.54 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 9.56 4.23 4.41 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 1.26 0.00 0.00 84 E 8.86 4.05 0.00 2.03 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 2.44 2.41 0.00 85 S 8.04 3.85 0.00 4.01 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 86 E 7.81 4.22 0.00 2.19 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 0.00 2.38 2.34 0.00 87 F 8.01 4.97 0.00 3.05 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 88 E 8.68 4.05 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 89 G 8.62 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 90 K 7.62 3.80 0.00 0.97 1.07 0.00 1.45 0.00 0.00 1.47 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.19 7.81 91 F 7.38 4.57 0.00 2.91 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 92 A 8.02 4.01 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 93 E 8.16 3.98 0.00 1.94 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 2.32 2.38 0.00 94 C 7.62 4.65 0.00 3.00 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 95 D 9.19 4.60 0.00 2.67 2.65 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 0.00 0.00 0.00 96 V 8.31 3.68 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 0.82 0.00 0.00 1.01 0.00 0.00 97 G 9.96 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 0.00 0.00 0.00 98 A 7.84 4.43 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *100 P 0.00 4.30 0.00 2.15 2.13 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.23 0.00 101 P 0.00 4.51 0.00 1.99 1.87 0.00 2.25 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.17 0.00 102 F 8.02 4.51 0.00 3.02 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 0.00 103 G 7.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.07 4.25 0.00 2.79 2.97 0.00 0.00 6.31 6.67 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 0.00 105 L 7.44 3.89 0.00 0.96 1.04 0.55 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 7.06 4.78 0.00 3.16 3.21 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 0.00 107 G 7.83 4.11 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 0.00 0.00 0.00 108 L 7.95 4.60 0.00 1.51 1.45 -0.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.37 0.00 1.88 1.93 0.00 3.67 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 1.98 2.04 0.00 110 V 8.26 4.33 1.94 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 1.08 0.00 0.00 0.88 0.00 0.00 111 L 8.49 5.10 0.00 1.59 1.52 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.68 4.83 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 1.34 0.00 0.00 1.15 0.00 0.00 113 S 9.26 4.74 0.00 3.89 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 0.00 114 T 8.79 4.05 4.20 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 0.00 0.00 0.00 1.25 0.00 0.00 115 K 7.62 4.08 0.00 1.66 1.88 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.45 7.81 116 L 7.82 4.17 0.00 1.80 1.69 1.00 0.69 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 0.00 117 S 7.27 2.79 0.00 3.84 3.79 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 0.00 118 A 7.53 4.03 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 0.00 119 Q 6.72 4.38 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 120 D 8.68 4.55 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.00 5.70 0.00 2.64 2.73 0.00 0.00 6.58 7.32 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 0.00 122 I 8.71 4.74 1.97 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.88 0.00 0.00 123 L 8.54 5.10 0.00 1.74 1.45 0.83 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 124 F 7.76 5.34 0.00 3.19 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 0.00 125 N 8.75 4.67 0.00 2.76 2.94 0.00 0.00 6.65 7.35 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 0.00 126 A 8.73 4.58 1.26 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 0.00 127 G 11.16 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 0.00 0.00 0.00 128 S 7.14 4.98 0.00 4.12 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 0.00 129 H 8.72 4.47 0.00 3.16 3.42 0.00 5.88 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 S 8.02 4.47 0.00 4.03 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.87 5.05 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 132 L 8.66 5.25 0.00 1.43 1.46 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 *134 Q 8.69 4.83 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 135 L 8.23 5.20 0.00 1.91 1.93 1.28 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 136 S 8.71 4.92 0.00 4.12 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 0.00 137 F 9.37 4.22 0.00 3.23 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.33 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.24 4.37 0.00 2.98 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 0.00 140 F 8.15 4.08 0.00 3.05 2.89 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 0.00 141 E 8.21 3.25 0.00 1.67 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 2.20 2.24 0.00 142 K 7.70 3.89 0.00 2.19 1.81 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.35 7.81 143 L 7.59 4.16 0.00 1.91 2.06 1.10 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 144 V 7.43 3.68 0.99 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 0.38 0.00 0.00 0.14 0.00 0.00 145 K 7.72 3.69 0.00 1.81 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.38 7.81 146 P 0.00 4.59 0.00 2.04 1.87 0.00 3.55 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.62 0.00 147 T 8.53 4.48 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 1.19 0.00 0.00 148 L 8.53 4.82 0.00 1.56 1.64 1.08 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.95 4.55 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.96 0.00 0.00 150 T 8.45 4.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 151 L 8.32 4.33 0.00 1.57 1.50 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.