NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4773 8.1933 115.4124 58.1217 64.5428 174.2735 7 T 3.7764 8.1839 116.1511 65.4885 67.9579 175.5382 8 K 3.9364 8.1659 121.6929 59.2011 32.6888 178.3043 9 K 3.9149 8.0292 119.9742 59.7991 32.0223 178.9881 10 T 3.9992 7.9146 116.0162 66.4677 68.2854 176.3210 11 Q 3.9430 8.2886 121.7531 59.4021 29.0398 178.6194 12 L 4.0043 8.1808 120.0545 58.0437 41.6854 179.6363 13 Q 4.1216 8.3815 118.0671 58.4269 28.6434 178.4625 14 L 3.9869 8.1714 121.7892 58.2752 42.0341 178.8878 15 E 4.0416 8.5485 118.7619 59.3415 29.2899 179.0053 16 H 4.1845 7.9201 117.2259 58.9618 30.0073 176.7709 17 L 3.9394 8.0087 122.1373 58.2659 41.9383 178.3647 18 L 3.9609 7.9676 120.0727 58.5188 41.9207 178.9183 19 L 4.0058 7.7393 119.8108 58.1213 42.1065 178.5537 20 D 4.3837 8.2352 119.0113 57.2114 40.7369 178.5184 21 L 3.9959 8.4413 121.2685 58.3858 42.0828 179.1172 22 Q 4.1066 8.3412 117.9308 59.0051 28.5107 178.4435 23 M 4.1478 8.3230 119.9390 58.1252 31.8992 178.9112 24 I 4.0316 7.7658 119.8386 64.3347 37.3376 177.9548 25 L 4.0135 7.9553 121.1847 58.4595 41.5847 178.8740 26 N 4.4431 8.3659 115.8767 56.0194 38.5377 177.3898 27 G 2.8010 7.6098 106.5061 48.3311 0.0000 175.3108 28 I 3.9280 7.5530 121.8613 63.2520 38.5742 176.6700 29 N 4.6537 8.2720 120.0859 52.8192 37.2157 174.1037 30 N 4.9287 7.1604 116.5491 51.7651 40.5005 175.7728 31 Y 4.1399 8.5952 116.9765 59.9408 38.0148 176.7189 32 K 4.2150 8.2398 120.2600 56.2459 32.6800 175.8425 33 N 4.7225 8.0234 118.0791 51.9732 38.3157 172.6097 34 P 4.6655 0.0000 0.0000 63.2410 31.8440 177.6801 35 K 4.4720 7.7628 117.5526 56.0363 32.6070 177.0563 36 L 3.9467 7.7084 122.9208 58.8252 41.7028 179.2028 37 T 3.9399 7.8843 107.5168 64.5445 68.8290 176.0446 38 R 4.1195 7.8969 118.4463 59.4114 29.5226 178.5024 39 M 4.5776 8.2767 119.1417 57.3641 31.7118 177.9741 40 L 4.3967 7.6303 117.6395 56.1755 42.0903 177.4890 41 T 4.2119 7.8416 108.3013 61.9661 69.5132 174.8407 42 F 4.2224 7.6801 121.3404 56.5791 39.7531 175.4351 43 K 4.2754 8.2816 125.1698 56.3531 32.7324 176.4834 44 F 4.4346 9.1751 122.4530 55.8161 43.4280 173.3018 45 Y 5.0729 8.8505 120.6175 57.3312 38.9001 175.2177 46 M 4.9081 8.7962 122.8513 53.1252 34.3068 173.8947 47 P 4.8946 0.0000 0.0000 61.8855 32.8090 176.2576 48 K 4.0911 8.7852 122.4554 59.2249 32.2978 177.4642 49 K 4.4008 7.3536 113.9450 55.7535 34.7956 175.3091 50 A 4.3926 8.2327 124.1884 50.4706 19.1458 175.1294 51 T 4.5889 8.5696 110.0725 62.2098 70.8799 174.4876 52 E 4.8494 8.1623 120.3408 54.6730 34.0199 175.7734 53 L 4.4130 8.5060 118.8446 57.5889 41.6216 179.8875 54 K 4.1219 8.0335 117.4577 59.6454 32.4749 178.0220 55 H 4.6503 8.0225 115.0428 56.8241 28.5207 176.2768 56 L 4.1995 8.0544 119.9585 55.3917 41.5252 178.4400 57 Q 3.9951 7.7806 121.1517 59.2575 28.8683 176.6748 58 C 4.8148 7.8125 113.5431 57.8481 37.1434 173.8547 59 L 4.1846 7.2600 121.2935 56.4156 42.9129 177.1906 60 E 3.8436 7.8503 119.0984 59.7849 29.2130 178.8771 61 E 4.0666 8.1533 116.9809 59.2104 29.8563 178.4622 62 E 4.2840 8.2900 116.9162 57.3715 29.8216 178.5865 63 L 4.0226 7.6767 120.2321 57.5134 41.4726 179.2178 64 K 4.0880 7.9768 118.1192 58.8393 32.9155 177.4084 65 P 4.1298 0.0000 0.0000 65.3547 31.3192 177.9915 66 L 4.0242 8.1134 119.2105 58.2570 41.6696 178.6849 67 E 3.8268 7.9969 118.0936 59.2174 29.8950 178.0828 68 E 3.9742 7.7910 119.3279 59.3007 29.6968 179.0075 69 V 3.1563 7.7535 118.2834 65.6656 31.5027 177.8377 70 L 4.2629 7.8686 118.4658 57.3598 41.1836 178.8281 71 N 4.4063 7.7401 115.4763 55.3179 38.4704 176.5110 72 L 4.1913 8.0723 120.0476 55.7544 42.2685 177.2608 73 A 4.4327 7.3918 121.0355 51.2460 19.2595 177.2959 74 Q 4.3517 8.7230 120.7179 54.8122 28.7361 177.0150 75 S 4.5931 8.9918 119.5616 61.3750 62.8254 176.9060 76 K 4.1850 8.0282 118.6964 58.6333 31.6692 177.2808 77 N 4.5152 8.0795 115.4416 53.7249 38.8793 174.5231 78 F 4.7086 7.5604 117.5856 56.0746 40.3096 175.6719 79 H 4.4396 9.1026 124.6242 58.4240 30.0319 175.2310 80 L 4.8614 7.5483 116.3388 51.6103 45.5119 176.6980 81 R 3.8425 8.6738 118.9124 56.9144 31.1514 176.1042 82 P 3.7503 0.0000 0.0000 65.5017 31.3583 178.2763 83 R 3.7842 7.8689 116.8729 59.6195 29.9588 177.8988 84 D 4.3343 8.0201 117.8660 57.4707 40.8885 178.6476 85 L 3.9680 7.6149 118.6786 58.0771 41.6603 179.8195 86 I 3.7139 8.0447 119.9176 64.3910 36.9165 178.7836 87 S 4.1102 8.5085 116.4573 61.5276 62.5790 176.4792 88 N 4.3019 8.5242 119.5236 56.5687 38.3433 177.4237 89 I 3.6681 7.8083 121.0464 64.4709 37.1022 178.3802 90 N 4.3041 8.1283 117.4225 56.3743 38.4703 178.0089 91 V 3.6579 7.9860 120.6489 64.8210 31.3183 178.4260 92 I 3.7501 8.1121 120.9145 64.0616 36.8434 178.4804 93 V 3.5967 8.0355 119.2791 65.5327 31.0355 178.2014 94 L 3.9245 7.8035 118.3156 57.8528 41.6426 178.6016 95 E 4.0788 8.1931 117.5280 59.6217 29.5551 179.0159 96 L 4.1837 8.1009 119.0077 55.7283 42.6730 176.8530 97 K 4.2479 7.3136 117.8597 55.5774 33.9171 176.9606 *98 G 3.6517 8.3752 107.1619 45.4426 0.0000 173.4602 *105 C 4.1681 8.3241 120.1860 56.1797 43.4196 173.3925 106 E 3.9689 8.4817 126.4247 56.6834 29.0232 176.1937 107 Y 5.1403 8.2369 130.4555 57.2359 40.2009 174.9214 108 A 4.7736 8.5184 125.6375 51.7335 22.6085 176.1595 109 D 4.4845 8.7042 119.8181 57.1968 41.2257 177.6564 110 E 4.1779 8.0080 118.5153 56.1705 30.0207 176.7536 111 T 4.6275 8.3669 113.9534 61.2768 70.7053 172.9236 112 A 5.0309 9.1091 122.9251 50.3178 23.3840 175.6708 113 T 4.8754 8.4133 108.7670 61.0205 70.6822 176.2315 114 I 3.2233 8.6779 122.2467 64.5056 37.1262 178.8352 115 V 3.6689 7.7972 118.5029 66.0808 31.3457 177.8009 116 E 4.0735 7.9954 117.0114 59.0033 28.8545 178.9450 117 F 4.1597 8.4791 120.8687 61.4723 39.5846 177.1880 118 L 3.9327 8.5140 118.9459 57.9465 41.3960 179.4397 119 N 4.4383 8.1487 116.3033 55.9432 38.5233 177.4358 120 R 3.9614 8.2333 117.2941 58.1559 29.6502 178.6089 121 W 4.1753 7.5507 119.3613 59.0034 29.2386 178.5806 122 I 3.7903 7.9066 119.9358 64.6704 36.5836 178.5034 123 T 3.8387 7.8989 116.4200 66.5961 68.2652 176.1231 124 F 4.0347 8.1341 122.3185 61.5986 39.2659 177.0940 125 A 3.8976 8.4275 120.0360 55.3293 18.0704 179.6709 126 Q 3.9339 8.2324 116.5536 59.1353 28.5284 179.0293 127 S 4.1908 8.2096 115.8221 61.1378 63.1823 176.4642 128 I 3.8109 7.5841 124.2870 63.5454 36.8416 178.1786 129 I 3.6591 7.7608 120.7723 64.7646 36.2964 178.5373 130 S 4.1552 7.8596 115.6838 61.8289 62.0741 176.9464 131 T 3.9789 8.0290 112.3768 64.2296 68.1957 176.0448 132 L 4.2180 7.2039 116.9952 54.9209 42.3338 176.6618 133 T 3.5641 7.8695 119.6279 63.6136 69.0036 171.3787 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 6 S 8.19 4.48 0.00 4.02 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 7 T 8.18 3.78 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 1.20 0.00 0.00 8 K 8.17 3.94 0.00 1.86 1.79 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 9 K 8.03 3.91 0.00 1.89 1.79 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 10 T 7.91 4.00 4.37 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 1.21 0.00 0.00 11 Q 8.29 3.94 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 12 L 8.18 4.00 0.00 2.06 1.71 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.38 4.12 0.00 2.09 2.14 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 2.47 2.32 0.00 14 L 8.17 3.99 0.00 2.10 1.74 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.55 4.04 0.00 2.06 2.01 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 2.34 2.32 0.00 16 H 7.92 4.18 0.00 3.55 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.01 3.94 0.00 1.98 1.91 0.92 0.47 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 18 L 7.97 3.96 0.00 1.94 1.87 0.96 0.36 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 19 L 7.74 4.01 0.00 1.69 1.64 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.24 4.38 0.00 2.94 2.72 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 21 L 8.44 4.00 0.00 2.05 1.79 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.34 4.11 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 23 M 8.32 4.15 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.64 0.00 24 I 7.77 4.03 1.94 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 1.41 0.69 1.03 0.00 0.00 25 L 7.96 4.01 0.00 1.92 1.86 0.94 0.73 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 26 N 8.37 4.44 0.00 2.85 2.82 0.00 0.00 7.02 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.61 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 0.00 0.00 0.00 28 I 7.55 3.93 2.04 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 1.51 0.80 0.93 0.00 0.00 29 N 8.27 4.65 0.00 2.78 2.74 0.00 0.00 7.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.16 4.93 0.00 2.93 2.79 0.00 0.00 6.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.60 4.14 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 32 K 8.24 4.21 0.00 1.75 2.02 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.38 7.81 33 N 8.02 4.72 0.00 2.75 2.88 0.00 0.00 6.93 6.98 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 34 P 0.00 4.67 0.00 2.24 2.16 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 35 K 7.76 4.47 0.00 1.80 1.89 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.61 7.81 36 L 7.71 3.95 0.00 1.87 1.64 0.90 0.42 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 37 T 7.88 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 1.20 0.00 0.00 38 R 7.90 4.12 0.00 2.14 2.25 0.00 3.16 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.72 0.00 39 M 8.28 4.58 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 40 L 7.63 4.40 0.00 1.92 1.76 0.97 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.84 4.21 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 1.19 0.00 0.00 42 F 7.68 4.22 0.00 3.10 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 43 K 8.28 4.28 0.00 1.38 1.52 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.37 7.81 44 F 9.18 4.43 0.00 2.95 2.46 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 45 Y 8.85 5.07 0.00 2.28 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 46 M 8.80 4.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.71 0.00 47 P 0.00 4.89 0.00 2.32 2.25 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 48 K 8.79 4.09 0.00 1.96 1.93 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.38 7.81 49 K 7.35 4.40 0.00 1.81 1.67 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.24 1.26 7.81 50 A 8.23 4.39 0.68 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 0.00 0.00 51 T 8.57 4.59 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 1.26 0.00 0.00 52 E 8.16 4.85 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 53 L 8.51 4.41 0.00 1.77 1.80 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.03 4.12 0.00 1.93 2.07 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.72 1.39 7.81 55 H 8.02 4.65 0.00 3.37 3.40 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.05 4.20 0.00 1.83 1.64 1.08 0.98 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 57 Q 7.78 4.00 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 58 C 7.81 4.81 0.00 3.53 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.26 4.18 0.00 0.27 1.03 -0.05 0.47 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 60 E 7.85 3.84 0.00 2.20 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 2.30 2.35 0.00 61 E 8.15 4.07 0.00 2.22 2.21 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 2.44 2.51 0.00 62 E 8.29 4.28 0.00 2.25 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 2.55 2.93 0.00 63 L 7.68 4.02 0.00 1.93 1.71 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.98 4.09 0.00 2.00 2.04 0.00 1.38 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.56 7.81 65 P 0.00 4.13 0.00 2.00 1.85 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 66 L 8.11 4.02 0.00 1.92 1.88 0.96 0.70 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 67 E 8.00 3.83 0.00 2.06 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 0.00 2.27 2.26 0.00 68 E 7.79 3.97 0.00 1.97 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 0.00 2.17 2.25 0.00 69 V 7.75 3.16 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 0.49 0.00 0.00 0.33 0.00 0.00 70 L 7.87 4.26 0.00 1.83 1.57 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.74 4.41 0.00 2.82 2.85 0.00 0.00 7.00 8.00 0.00 0.00 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 L 8.07 4.19 0.00 1.71 1.76 0.86 0.84 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 73 A 7.39 4.43 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.72 4.35 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 75 S 8.99 4.59 0.00 4.10 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.03 4.19 0.00 1.76 1.93 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.55 7.81 77 N 8.08 4.52 0.00 2.46 2.61 0.00 0.00 6.78 8.11 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 78 F 7.56 4.71 0.00 3.22 3.16 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 79 H 9.10 4.44 0.00 3.10 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.55 4.86 0.00 1.61 1.49 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.67 3.84 0.00 1.96 1.85 0.00 3.15 0.00 0.00 3.45 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 82 P 0.00 3.75 0.00 1.86 1.53 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.63 0.00 83 R 7.87 3.78 0.00 1.77 1.87 0.00 3.32 0.00 0.00 3.31 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 84 D 8.02 4.33 0.00 2.94 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 85 L 7.61 3.97 0.00 1.78 1.68 0.94 0.95 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 86 I 8.04 3.71 2.04 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.90 0.87 0.00 0.00 87 S 8.51 4.11 0.00 3.90 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 88 N 8.52 4.30 0.00 2.76 2.93 0.00 0.00 7.05 6.83 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 89 I 7.81 3.67 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.86 0.00 0.00 90 N 8.13 4.30 0.00 2.95 2.83 0.00 0.00 6.71 7.52 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 91 V 7.99 3.66 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 1.04 0.00 0.00 0.91 0.00 0.00 92 I 8.11 3.75 1.87 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 1.36 0.73 0.96 0.00 0.00 93 V 8.04 3.60 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 1.01 0.00 0.00 0.94 0.00 0.00 94 L 7.80 3.92 0.00 1.86 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.19 4.08 0.00 2.05 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 2.34 2.48 0.00 96 L 8.10 4.18 0.00 1.88 1.71 0.99 0.96 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 97 K 7.31 4.25 0.00 1.87 2.04 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.60 7.81 *98 G 8.38 3.65 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 0.00 0.00 0.00 *105 C 8.32 4.17 0.00 2.87 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 0.00 106 E 8.48 3.97 0.00 1.85 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 2.34 2.24 0.00 107 Y 8.24 5.14 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.52 4.77 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 0.00 109 D 8.70 4.48 0.00 2.69 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 0.00 110 E 8.01 4.18 0.00 1.99 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 2.34 2.32 0.00 111 T 8.37 4.63 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 1.39 0.00 0.00 112 A 9.11 5.03 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 0.00 113 T 8.41 4.88 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 1.33 0.00 0.00 114 I 8.68 3.22 1.87 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 1.60 0.59 0.70 0.00 0.00 115 V 7.80 3.67 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 1.09 0.00 0.00 0.99 0.00 0.00 116 E 8.00 4.07 0.00 2.20 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 2.36 2.36 0.00 117 F 8.48 4.16 0.00 3.16 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.51 3.93 0.00 1.72 1.74 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.15 4.44 0.00 3.09 2.84 0.00 0.00 6.71 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.23 3.96 0.00 1.89 2.23 0.00 2.54 0.00 0.00 2.66 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.76 0.00 121 W 7.55 4.18 0.00 3.19 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 0.00 122 I 7.91 3.79 2.14 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 1.56 0.98 0.93 0.00 0.00 123 T 7.90 3.84 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 1.20 0.00 0.00 124 F 8.13 4.03 0.00 2.91 3.20 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 0.00 125 A 8.43 3.90 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 0.00 126 Q 8.23 3.93 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 127 S 8.21 4.19 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.58 3.81 1.61 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.84 0.78 0.00 0.00 129 I 7.76 3.66 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.03 0.89 0.00 0.00 130 S 7.86 4.16 0.00 3.95 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 0.00 131 T 8.03 3.98 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 1.23 0.00 0.00 132 L 7.20 4.22 0.00 1.75 1.74 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.87 3.56 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 * Residues marked with a * may have inaccurate shift predictions.