NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.1915 8.3344 115.4025 58.2139 63.2943 171.0155 3 R 4.1314 7.7001 128.1795 56.1556 31.0464 174.2357 4 F 5.1119 9.4073 124.6622 55.9135 43.4463 173.0070 5 H 5.4906 9.1170 120.9544 54.4863 32.6970 172.3204 6 E 4.8920 9.0540 124.5803 54.4270 32.9746 174.8629 7 Q 5.4788 8.7908 120.5632 53.4305 31.7510 174.3838 8 F 5.0387 7.7329 114.7958 55.7666 41.4653 172.8919 9 I 4.5777 8.4949 121.7823 60.7112 38.2754 175.1775 10 V 4.5928 8.4144 126.7894 60.7899 33.3986 175.7285 11 R 4.0445 8.8616 126.8255 56.3139 30.7788 176.8055 12 E 3.9020 9.1449 123.4638 59.5873 29.4211 178.2100 13 D 4.5083 8.0974 115.0004 54.9974 40.3472 176.5486 14 L 4.4155 8.0525 122.8321 53.1236 40.8780 176.6780 *16 G 3.8689 7.8334 110.6500 45.4442 0.0000 173.2353 17 L 3.5966 7.7535 118.4268 57.2650 41.8682 178.2464 18 A 4.2630 7.5977 120.5467 55.4473 18.7488 178.9415 19 I 3.8051 7.8706 116.3350 63.1250 37.6017 177.8462 20 G 4.2414 8.3464 104.4792 45.0532 0.0000 172.5109 21 T 4.0793 8.1721 109.2628 63.0751 69.2072 174.3638 22 H 4.2489 9.8856 122.4000 56.7598 26.7399 174.7673 23 G 3.8961 8.3975 103.4264 46.9207 0.0000 176.8967 24 A 3.9211 8.0765 123.6845 54.8497 18.3273 179.9485 25 N 4.1621 8.0359 114.9583 56.9390 39.1292 176.8064 26 I 3.6815 7.7480 120.0592 63.9421 38.0171 177.5662 27 Q 3.9430 8.0804 120.9071 59.0756 28.6480 178.3501 28 Q 3.7408 7.6012 117.0766 59.0623 28.6773 177.6495 29 A 4.1986 7.5196 122.8900 55.2713 18.1642 179.9034 30 R 4.0187 8.0975 115.4714 58.3190 30.1953 178.2606 31 K 4.4182 7.4560 116.6755 55.5982 33.4842 176.9435 32 V 3.6549 7.1365 121.5325 62.5495 31.8624 173.5730 33 P 4.5067 0.0000 0.0000 64.0640 31.6483 176.4792 34 G 4.1743 9.1908 111.3715 44.1792 0.0000 172.8434 35 V 4.3543 7.3304 119.4864 62.2366 32.3889 175.4065 36 T 4.4720 9.1466 124.5500 65.7029 70.0490 174.8191 37 A 4.8992 7.8952 120.4853 50.6965 22.9981 175.4595 38 I 4.8906 8.4737 120.8917 59.9026 39.7375 175.0918 39 D 5.0098 9.4657 127.7988 53.0033 43.5216 175.6294 40 L 4.6985 8.1168 121.2661 53.3262 45.0452 175.5751 41 D 4.5149 9.1691 127.6099 53.6302 40.7648 176.6080 42 E 3.9863 8.7679 126.5649 59.0817 29.8421 178.7381 43 D 4.4843 8.2897 118.6274 56.5086 40.9638 177.1708 44 T 4.4504 7.7532 105.5282 60.2949 69.7940 173.3963 45 C 3.9847 7.7227 118.3734 61.6845 25.9701 172.8165 46 T 4.7618 7.4458 115.2666 61.7326 70.9241 175.3037 47 F 4.7672 8.3826 125.9386 57.2395 40.8592 174.6615 48 H 4.8220 9.2599 119.3676 54.2113 31.9879 172.3676 49 I 4.8665 8.5219 125.2638 59.6232 39.6475 174.5722 50 Y 5.2643 8.5843 124.1055 56.6595 41.5591 175.5113 51 G 3.9818 8.6084 108.3129 46.2330 0.0000 172.8707 52 E 4.8118 8.9194 118.5711 57.6299 31.2084 176.3495 53 D 5.0015 8.0163 117.3585 50.6930 42.6659 176.0734 54 Q 3.5410 8.1678 120.0107 59.1323 28.6008 178.6483 55 D 4.2898 8.0372 119.0731 57.4676 40.8383 178.7348 56 A 3.9890 8.0898 120.6888 55.5912 18.4854 180.2365 57 V 3.6772 7.6544 110.2335 64.3079 31.5876 179.0896 58 K 3.9611 8.4473 118.9483 58.9219 31.5701 179.4099 59 K 3.7107 8.2338 119.6215 59.3149 32.2350 178.2189 60 A 4.4030 8.1321 121.1781 55.5083 18.2639 179.5468 61 R 3.7384 8.0711 117.2021 59.4579 29.8556 178.6614 62 S 3.8341 7.5291 113.1210 61.6259 62.7600 176.3661 63 F 4.3571 7.4423 120.0644 59.4409 38.7418 176.0540 64 L 4.7305 7.5617 115.4291 54.9572 43.5889 176.6395 65 E 4.3237 7.5637 122.4615 55.1182 27.4396 175.2937 66 F 4.7181 8.3426 120.0393 57.2948 40.7298 175.1584 67 A 4.7664 9.3531 123.5027 51.3540 23.2808 174.4529 68 E 5.2186 8.6703 117.8402 55.3246 32.1730 176.0630 69 D 4.6417 9.0176 122.1940 53.1814 44.8197 174.2655 70 V 4.6394 8.5657 126.4273 62.4668 32.9150 174.9959 71 I 4.6658 8.7848 127.6355 59.6004 40.5967 174.4270 72 Q 4.7239 8.7903 126.2197 55.1975 29.6181 175.2492 73 V 4.1782 8.4541 125.0018 59.9885 33.7090 173.3331 74 P 4.3506 0.0000 0.0000 63.2861 31.9171 176.9289 75 R 3.9369 9.3217 126.2438 59.8166 29.6651 177.6231 76 N 4.2832 8.2178 115.1779 55.7834 37.1567 175.9182 77 L 4.4735 8.2625 118.7549 54.3070 42.1700 178.5092 78 V 3.9088 7.6224 119.7942 66.2189 31.3607 177.8374 79 G 3.8499 8.1800 103.6299 47.9349 0.0000 175.2195 80 K 4.1724 7.8638 120.1622 59.3635 31.7914 179.6526 81 V 3.7947 8.6105 119.4695 64.2557 31.3892 178.3575 82 I 3.9936 8.2988 121.6527 61.8658 37.1259 177.2722 83 G 3.8439 7.7840 106.3808 44.0925 0.0000 171.6313 84 K 3.7442 8.4471 118.8106 57.3193 31.8869 175.9094 85 N 4.3516 9.6717 126.7937 54.2788 35.9617 175.7171 86 G 4.0402 8.1352 104.7409 45.7170 0.0000 174.4130 87 K 3.7662 7.8577 120.8160 59.7983 31.9430 178.1278 88 L 3.9312 7.8200 119.4830 58.2901 42.2548 178.5816 89 I 3.7523 7.3106 119.0512 63.9259 37.8785 177.5337 90 Q 3.9955 8.6231 121.0088 59.3004 28.9131 178.1968 91 E 4.0176 8.4934 119.7552 59.4387 29.3960 179.3603 92 I 3.7611 8.0930 120.0499 64.6733 37.2777 178.9830 93 V 3.7632 8.0238 113.1351 64.4504 31.1245 178.4882 94 D 4.3921 8.0144 118.0880 57.0963 40.7501 178.4303 95 K 4.1398 8.4373 119.9444 59.4693 32.3545 178.8160 96 S 4.2661 8.1335 113.9331 59.5436 62.9044 175.4355 97 G 3.8950 7.8672 108.6483 45.1171 0.0000 173.5195 98 V 3.9238 7.1941 112.3899 60.9996 32.3203 176.6092 99 V 4.0858 8.8909 121.9134 65.8203 31.9733 175.9024 100 R 4.7503 7.6483 114.2788 55.4699 32.3792 173.7571 101 V 4.7701 8.2939 118.5566 59.8167 34.3913 174.9743 102 R 4.4463 8.5441 121.6638 54.4622 33.1138 174.6232 103 I 4.1475 8.0566 124.8261 59.8573 38.2898 174.8476 104 E 4.6013 8.7553 127.2950 54.3749 31.4444 175.5955 105 A 4.5853 8.6058 127.9097 50.4338 20.5080 175.4639 106 E 4.6066 8.4064 122.5941 54.4569 31.6292 175.8407 107 N 4.5077 8.3507 120.0921 53.2043 39.7688 175.3560 108 E 3.9603 8.7413 123.1371 59.2424 29.6958 178.2418 109 K 4.1988 8.1533 116.3052 57.6876 32.4691 177.0361 110 N 4.4780 7.6456 117.8132 52.8815 38.8504 175.1063 111 V 3.6430 8.4126 124.1191 65.1161 31.9889 173.8962 112 P 4.6053 0.0000 0.0000 61.9177 32.0969 175.1909 113 Q 4.4910 8.1358 117.8922 55.4263 30.5540 172.8839 114 E 4.4753 8.6763 119.9929 54.5034 30.6931 176.0179 115 E 3.8427 8.8026 123.6318 58.2426 30.1363 177.1481 116 G 3.5528 8.5957 111.8252 46.5439 0.0000 172.9681 *118 V 4.2840 7.6223 118.6583 61.4390 33.2969 172.5985 119 P 4.8666 0.0000 0.0000 63.0394 32.7851 175.1355 120 F 4.9002 9.5801 123.4924 55.9335 40.9105 175.2544 121 V 4.5093 8.7738 126.5493 61.4908 32.2549 174.7050 122 F 4.9910 8.9397 128.0061 56.8537 40.7665 175.3135 123 V 4.7590 9.1734 122.6553 61.5121 34.5168 174.9628 124 G 4.1491 8.2528 114.2566 46.7518 0.0000 171.8795 125 T 3.9374 7.2231 109.1571 60.8716 69.5673 175.3009 126 K 3.8078 8.5490 123.2487 59.8989 31.9740 179.4896 127 D 4.1784 7.7417 118.4468 57.3160 40.7285 178.4496 128 S 4.1882 7.7905 115.6860 62.0014 62.8543 177.1731 129 I 3.5179 7.4280 121.4496 64.0521 36.8611 178.1063 130 A 3.8593 8.0345 121.9199 55.3332 18.1048 179.4158 131 N 4.1139 7.9342 114.4202 56.5081 38.5758 177.5096 132 A 3.7869 8.0832 122.6537 55.1691 18.2031 179.6432 133 T 3.6778 7.7306 108.1820 64.2174 69.0378 177.4760 134 V 3.1607 7.4360 121.1308 65.6534 31.5705 177.8932 135 L 4.0144 7.8024 118.7082 57.8015 41.5450 179.1731 136 L 3.9778 8.0051 120.3292 58.2880 42.0436 178.6204 137 D 4.2946 8.1050 118.7814 57.6638 40.3010 178.4010 138 Y 4.4560 7.6451 116.9130 61.6029 37.8249 178.4151 139 H 3.9025 8.3775 116.8299 59.0468 28.8347 177.5428 140 L 3.7916 7.9166 120.4548 58.3935 41.2532 179.6600 141 N 4.3648 7.9932 114.8995 55.6471 38.5077 176.0767 142 Y 4.6030 7.1029 117.2001 58.3392 39.1948 177.6922 143 L 3.9318 7.2451 120.5905 57.0048 41.6796 176.8992 144 K 3.9518 7.9048 123.9560 56.9101 32.0860 175.7615 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 S 8.33 4.19 0.00 3.99 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 3 R 7.70 4.13 0.00 1.82 1.76 0.00 3.43 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.86 0.00 4 F 9.41 5.11 0.00 3.15 2.92 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 5 H 9.12 5.49 0.00 3.28 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 9.05 4.89 0.00 1.91 1.85 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 2.22 2.36 0.00 7 Q 8.79 5.48 0.00 1.80 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 8 F 7.73 5.04 0.00 3.21 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 9 I 8.49 4.58 1.94 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 1.23 0.60 1.00 0.00 0.00 10 V 8.41 4.59 2.37 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 0.98 0.00 0.00 1.53 0.00 0.00 11 R 8.86 4.04 0.00 1.97 2.01 0.00 3.26 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 12 E 9.14 3.90 0.00 1.92 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 2.29 2.28 0.00 13 D 8.10 4.51 0.00 2.83 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 14 L 8.05 4.42 0.00 1.76 1.67 1.05 0.70 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 *16 G 7.83 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 0.00 0.00 0.00 17 L 7.75 3.60 0.00 0.97 0.34 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.60 4.26 1.63 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 19 I 7.87 3.81 1.91 0.00 0.00 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 1.50 0.96 0.96 0.00 0.00 20 G 8.35 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 0.00 0.00 0.00 21 T 8.17 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 1.17 0.00 0.00 22 H 9.89 4.25 0.00 3.25 3.35 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.40 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 24 A 8.08 3.92 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 25 N 8.04 4.16 0.00 2.90 3.06 0.00 0.00 6.78 7.95 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 26 I 7.75 3.68 1.93 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 1.46 1.46 0.98 0.00 0.00 27 Q 8.08 3.94 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 28 Q 7.60 3.74 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.05 1.16 0.00 29 A 7.52 4.20 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.10 4.02 0.00 2.00 2.02 0.00 3.19 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 31 K 7.46 4.42 0.00 1.92 1.89 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.62 1.48 7.81 32 V 7.14 3.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.21 0.00 0.00 33 P 0.00 4.51 0.00 2.11 2.01 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 34 G 9.19 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.33 4.35 2.27 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 0.89 0.00 0.00 1.00 0.00 0.00 36 T 9.15 4.47 4.44 0.00 0.00 0.00 0.00 0.00 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 37 A 7.90 4.90 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 38 I 8.47 4.89 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 1.03 0.00 0.00 39 D 9.47 5.01 0.00 2.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.12 4.70 0.00 1.37 1.40 -0.13 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 41 D 9.17 4.51 0.00 2.75 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 42 E 8.77 3.99 0.00 1.95 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 2.26 2.25 0.00 43 D 8.29 4.48 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.75 4.45 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 1.20 0.00 0.00 45 C 7.72 3.98 0.00 3.04 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 46 T 7.45 4.76 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 47 F 8.38 4.77 0.00 1.64 2.40 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 48 H 9.26 4.82 0.00 3.04 2.94 0.00 5.58 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.52 4.87 1.88 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 0.97 0.00 0.00 50 Y 8.58 5.26 0.00 3.01 2.85 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 51 G 8.61 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 52 E 8.92 4.81 0.00 2.01 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 0.00 2.33 2.43 0.00 53 D 8.02 5.00 0.00 2.76 2.80 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 54 Q 8.17 3.54 0.00 1.73 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 1.16 1.91 0.00 55 D 8.04 4.29 0.00 2.90 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 56 A 8.09 3.99 1.55 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 57 V 7.65 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 1.02 0.00 0.00 1.01 0.00 0.00 58 K 8.45 3.96 0.00 1.88 1.75 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.52 7.81 59 K 8.23 3.71 0.00 1.79 1.99 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.34 7.81 60 A 8.13 4.40 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.74 0.00 1.94 1.96 0.00 3.02 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 62 S 7.53 3.83 0.00 3.91 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 63 F 7.44 4.36 0.00 3.23 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 64 L 7.56 4.73 0.00 1.65 1.44 0.71 0.78 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 65 E 7.56 4.32 0.00 1.34 1.46 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 2.12 2.01 0.00 66 F 8.34 4.72 0.00 3.02 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 67 A 9.35 4.77 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 68 E 8.67 5.22 0.00 1.90 1.92 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 2.29 2.34 0.00 69 D 9.02 4.64 0.00 2.79 2.55 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 70 V 8.57 4.64 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 0.89 0.00 0.00 0.97 0.00 0.00 71 I 8.78 4.67 2.11 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 0.88 0.00 0.00 72 Q 8.79 4.72 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 73 V 8.45 4.18 1.83 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 0.51 0.00 0.00 0.01 0.00 0.00 74 P 0.00 4.35 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 75 R 9.32 3.94 0.00 1.84 1.98 0.00 3.13 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 76 N 8.22 4.28 0.00 2.90 2.97 0.00 0.00 5.95 7.79 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 77 L 8.26 4.47 0.00 1.60 1.67 0.86 0.76 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 78 V 7.62 3.91 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.11 0.00 0.00 79 G 8.18 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 0.00 0.00 0.00 80 K 7.86 4.17 0.00 1.94 1.84 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.66 1.42 7.81 81 V 8.61 3.79 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 1.10 0.00 0.00 0.94 0.00 0.00 82 I 8.30 3.99 2.13 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 1.43 0.83 0.94 0.00 0.00 83 G 7.78 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 0.00 0.00 0.00 84 K 8.45 3.74 0.00 1.86 1.79 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.53 1.55 7.81 85 N 9.67 4.35 0.00 2.87 2.81 0.00 0.00 7.21 7.65 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 86 G 8.14 4.04 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 0.00 0.00 0.00 87 K 7.86 3.77 0.00 1.98 1.91 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 88 L 7.82 3.93 0.00 1.83 1.94 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.31 3.75 2.11 0.00 0.00 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 1.40 1.11 1.00 0.00 0.00 90 Q 8.62 4.00 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 91 E 8.49 4.02 0.00 2.26 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 2.36 2.53 0.00 92 I 8.09 3.76 2.15 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 1.57 0.82 1.04 0.00 0.00 93 V 8.02 3.76 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 1.05 0.00 0.00 0.99 0.00 0.00 94 D 8.01 4.39 0.00 2.88 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 95 K 8.44 4.14 0.00 1.77 1.90 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.46 7.81 96 S 8.13 4.27 0.00 4.22 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 97 G 7.87 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 98 V 7.19 3.92 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 0.70 0.00 0.00 1.17 0.00 0.00 99 V 8.89 4.09 2.37 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 0.81 0.00 0.00 1.17 0.00 0.00 100 R 7.65 4.75 0.00 1.86 1.99 0.00 2.95 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 101 V 8.29 4.77 1.55 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 0.60 0.00 0.00 -0.07 0.00 0.00 102 R 8.54 4.45 0.00 1.61 1.73 0.00 3.29 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 103 I 8.06 4.15 1.52 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.17 0.49 0.00 0.00 104 E 8.76 4.60 0.00 1.80 1.82 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 2.16 2.31 0.00 105 A 8.61 4.59 1.21 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 0.00 106 E 8.41 4.61 0.00 1.96 1.87 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 2.23 2.27 0.00 107 N 8.35 4.51 0.00 2.71 2.68 0.00 0.00 6.71 7.65 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 0.00 108 E 8.74 3.96 0.00 1.96 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 2.35 0.00 109 K 8.15 4.20 0.00 1.81 1.84 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.60 7.81 110 N 7.65 4.48 0.00 2.66 2.76 0.00 0.00 6.90 8.47 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 0.00 111 V 8.41 3.64 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 0.82 0.00 0.00 0.93 0.00 0.00 112 P 0.00 4.61 0.00 2.22 2.05 0.00 3.86 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 1.97 1.95 0.00 113 Q 8.14 4.49 0.00 2.12 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.80 0.00 0.00 0.00 0.00 0.00 2.15 2.29 0.00 114 E 8.68 4.48 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 115 E 8.80 3.84 0.00 1.95 1.92 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 2.32 2.34 0.00 116 G 8.60 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 *118 V 7.62 4.28 2.37 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 1.20 0.00 0.00 0.99 0.00 0.00 119 P 0.00 4.87 0.00 2.19 2.21 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.02 0.00 120 F 9.58 4.90 0.00 2.97 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 0.00 121 V 8.77 4.51 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 1.06 0.00 0.00 0.92 0.00 0.00 122 F 8.94 4.99 0.00 3.26 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 0.00 123 V 9.17 4.76 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 1.03 0.00 0.00 0.98 0.00 0.00 124 G 8.25 4.15 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 0.00 125 T 7.22 3.94 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 0.36 0.00 0.00 126 K 8.55 3.81 0.00 1.60 1.79 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 127 D 7.74 4.18 0.00 2.47 2.55 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 0.00 128 S 7.79 4.19 0.00 4.04 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 0.00 129 I 7.43 3.52 1.93 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 1.49 0.73 0.86 0.00 0.00 130 A 8.03 3.86 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 0.00 131 N 7.93 4.11 0.00 2.86 2.81 0.00 0.00 6.96 7.04 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 0.00 132 A 8.08 3.79 0.63 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 0.00 133 T 7.73 3.68 4.09 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 1.04 0.00 0.00 134 V 7.44 3.16 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 0.68 0.00 0.00 0.77 0.00 0.00 135 L 7.80 4.01 0.00 1.87 1.80 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.01 3.98 0.00 1.91 1.71 1.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.11 4.29 0.00 2.70 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 0.00 138 Y 7.65 4.46 0.00 3.17 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 0.00 139 H 8.38 3.90 0.00 3.38 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.92 3.79 0.00 1.94 1.68 0.79 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 N 7.99 4.36 0.00 2.99 2.97 0.00 0.00 6.97 7.34 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 0.00 142 Y 7.10 4.60 0.00 2.95 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 0.00 143 L 7.25 3.93 0.00 1.36 1.62 0.78 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.90 3.95 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.