NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 4.8016 8.1827 115.7751 56.3064 39.7931 176.8367 13 V 3.4449 8.0282 122.8128 66.8343 31.1803 174.9854 14 A 3.9890 8.7069 120.2555 55.2552 19.2201 178.4448 15 E 4.0945 8.2563 116.6330 59.6041 29.4981 179.4949 16 L 4.0314 8.0675 118.9291 57.9915 41.3682 179.3298 17 N 4.3635 8.4661 116.3580 56.1348 38.1898 176.2477 18 N 4.8125 7.7384 114.7582 53.6461 38.7833 175.2939 19 L 4.7163 7.8221 120.1863 54.0807 42.6662 176.1748 20 L 4.2481 7.3491 119.5001 56.5131 41.7815 177.9331 21 G 3.9724 9.1290 112.0679 45.2103 0.0000 173.4299 22 R 4.6098 7.8780 118.9555 54.6281 32.9186 175.4173 23 E 4.7127 8.8980 121.1847 56.4763 30.6460 176.6581 24 V 4.7811 9.0369 117.3223 59.5657 36.9922 174.0779 25 Q 5.0090 8.8656 122.0858 54.4123 32.1305 173.9259 26 V 4.7828 9.3511 126.6596 61.1894 34.1354 174.1025 27 V 4.5873 8.5335 128.5024 61.6205 33.1274 174.8308 28 L 5.4183 8.9700 128.2375 53.0670 44.2487 177.6759 29 S 4.4167 9.0672 115.2778 59.9278 63.3274 174.5456 30 N 4.6763 8.2690 118.1657 52.8163 37.2224 176.0104 31 G 3.9558 8.1970 107.2217 45.5889 0.0000 173.8547 32 E 4.4433 8.6092 119.8534 55.7946 31.7987 175.8619 33 V 4.8549 7.9092 120.0576 61.7166 34.9972 173.2655 34 Y 4.9646 9.1820 126.1019 56.0291 40.4999 174.5488 35 K 4.8826 8.6434 125.9190 54.9480 35.1017 175.5397 36 G 4.0396 8.4078 112.2806 46.4458 0.0000 171.4174 37 V 4.5948 7.8298 120.1805 61.5763 33.2763 176.1451 38 L 4.2436 9.2719 130.6740 55.9420 42.1508 176.3569 39 H 4.5802 9.0500 127.3003 57.8952 31.1550 174.8779 40 A 4.6979 7.6213 116.3947 51.1228 22.2950 175.7171 41 V 4.9550 8.3924 119.3181 60.4046 34.7043 174.0430 42 D 5.0584 8.4464 123.1750 51.1679 41.9768 176.5267 43 N 4.2514 8.6105 115.3542 56.3752 38.4504 176.1934 44 Q 3.9166 8.0321 114.3989 55.3151 28.9555 175.6000 45 L 3.7571 7.8963 116.8984 55.6754 39.7479 174.3499 46 N 4.8451 8.7155 116.5054 53.5198 39.8306 174.3479 47 I 4.9820 8.6797 122.7359 59.4876 41.2782 174.5203 48 V 4.6827 8.8022 125.7123 61.1135 34.0028 174.2164 49 L 5.2102 8.6490 127.4027 52.9679 44.8175 175.1590 50 A 4.8604 8.8069 123.8499 50.6398 21.6679 176.3830 51 N 4.4255 8.4746 117.7865 54.2508 36.8861 173.7894 52 A 5.0687 8.0089 119.7467 50.9985 22.2574 177.8438 53 S 5.8326 9.4531 114.5833 56.0811 68.0455 173.4028 54 N 5.4334 8.1240 118.8434 50.1096 39.9119 175.4028 55 K 3.9133 8.4682 116.7401 59.2033 32.1576 177.9050 56 A 4.2470 8.0460 119.8466 51.9290 18.4220 178.2165 57 G 3.9356 8.0974 105.5489 45.6152 0.0000 174.4465 58 E 3.9928 8.0006 119.8227 56.4529 30.6314 176.1421 59 K 5.0454 7.8915 121.2388 54.6428 35.5232 175.6024 60 F 4.8688 9.2118 121.8484 55.7139 43.1743 175.3623 61 N 4.4279 9.1364 121.2816 56.4828 39.9921 174.8918 62 R 4.9273 7.8190 115.2816 54.3425 34.4528 174.8837 63 V 4.0276 8.3424 122.9360 61.0277 34.3636 174.1302 64 F 4.7477 8.8129 127.2017 56.4949 39.8440 175.0712 65 I 4.4554 8.5388 130.5948 60.5328 39.7966 176.4907 *67 Y 4.7640 8.4940 119.3686 58.1440 39.7474 177.5749 68 R 3.7227 7.0153 117.8475 58.3384 30.2988 176.6221 69 Y 4.3070 7.8038 113.6385 57.5383 38.5973 174.4906 70 I 4.4006 7.4828 122.4683 60.8962 37.3986 176.0372 71 V 4.0326 8.9903 128.8678 65.5501 31.9768 175.4030 72 H 4.9420 7.6929 113.2151 54.9123 31.7650 171.8764 73 I 5.0645 8.2700 118.9377 59.6325 40.3063 174.8346 74 D 5.1389 9.2553 126.4241 52.2815 44.4282 175.2334 75 S 4.8703 8.6582 117.4543 58.3655 63.7169 173.9898 76 T 4.4264 8.3094 113.7605 61.8476 69.7527 174.7943 77 E 4.2970 8.0843 122.8920 55.6053 30.4532 176.5317 78 R 4.2709 8.2796 119.6794 55.5117 30.6955 176.5656 79 R 4.2029 8.1971 118.2097 55.6121 30.8918 176.8176 80 I 3.6903 8.0902 121.1404 61.8379 37.7048 175.8951 81 D 4.5596 8.4430 123.4752 53.8103 42.7326 176.8387 *83 R 3.7288 8.4079 117.9205 56.0237 31.9276 178.0313 84 E 4.0406 8.7550 118.3027 59.1542 29.4246 178.6091 85 F 3.6812 8.3061 120.7821 60.8877 39.3869 177.0614 86 A 4.0605 7.9623 120.1862 54.7420 18.0476 179.3155 87 K 3.8498 7.8194 117.3677 59.9489 32.7974 178.8182 88 Q 4.1123 8.2086 118.0492 58.8870 28.5919 178.6087 89 A 4.1785 8.0962 122.0809 54.8942 18.1811 179.2820 90 E 3.9655 8.1847 118.0181 59.5773 29.5399 179.2802 91 K 3.9784 7.5303 116.0806 58.9014 32.1273 178.4722 92 I 3.9514 7.3863 117.5338 61.3283 38.8974 175.9079 93 F 4.9056 7.9799 117.9230 54.8773 39.9547 173.1798 94 P 4.4254 0.0000 0.0000 63.6681 32.2136 177.0378 95 G 3.5269 8.9904 112.6635 46.2984 0.0000 173.9005 *97 V 4.0999 7.5116 116.7422 62.4656 33.0391 174.9171 98 K 4.6207 9.1786 127.2045 54.7161 35.3013 174.5776 99 Y 4.6495 8.8173 127.1649 56.9653 40.0495 174.5380 100 I 3.9487 8.6793 129.3447 59.4351 37.9938 176.2649 101 E 3.6468 8.6024 129.2459 58.8534 29.9547 177.4136 102 E 4.0073 8.1318 118.7735 59.0157 29.4452 177.4869 103 T 4.4089 7.3861 103.5739 60.2622 69.6951 172.7265 104 N 4.1095 7.7138 118.4339 55.4300 37.6680 173.5896 105 V 4.6406 7.1444 115.0139 60.8338 35.8980 174.1085 106 V 5.1899 8.7195 125.4903 61.1765 34.2303 174.0396 107 L 5.0299 9.3138 128.4247 53.2519 43.7935 175.5447 108 I 4.3697 8.6911 124.7508 59.8079 39.2891 175.3295 109 G 3.8683 8.8532 117.9261 46.8709 0.0000 173.4284 110 D 4.8550 8.7394 119.6168 53.9805 42.8236 176.6094 111 K 4.5188 8.0388 116.2787 55.5957 33.3502 175.3836 112 V 4.6550 7.5004 119.7831 60.9804 34.5671 174.1961 113 R 4.9797 9.0486 127.9447 54.4253 33.2658 173.9277 114 V 4.7563 9.0966 126.4510 61.1202 34.5190 174.5297 115 S 5.1571 8.5180 122.0565 55.9059 66.2795 174.6079 116 E 4.2250 8.9587 116.6197 58.2071 29.2257 177.3482 117 I 4.1950 8.9938 118.9885 60.9490 38.3247 175.6177 118 G 3.4596 6.2350 107.6270 43.4234 0.0000 171.8005 119 V 4.6798 7.3015 119.3073 60.7908 33.5893 174.5825 120 E 4.5488 10.2230 126.1025 54.2408 31.7404 175.2174 121 G 4.6474 7.7318 107.9929 43.2853 0.0000 172.6983 122 V 4.3623 7.8913 112.9094 59.9536 35.3322 175.3806 123 G 3.8566 8.6594 106.9001 43.9809 0.0000 172.6936 124 P 4.2512 0.0000 0.0000 65.6675 31.0388 179.2223 125 V 3.7636 7.8106 116.2655 65.7991 31.5034 177.6447 126 A 3.9752 7.9681 120.0065 55.4145 18.4144 179.1061 127 E 3.9326 8.4283 117.1851 59.8191 29.5637 179.8095 128 R 4.0447 8.4202 118.4035 59.3317 30.1365 178.4398 129 A 4.3694 8.5778 121.1386 55.0455 18.3555 179.7560 130 K 4.0605 8.4924 117.3911 59.8093 32.1032 179.8155 131 R 4.1230 8.0978 117.9392 58.9981 29.9929 178.8322 132 L 4.0886 8.2675 120.2888 58.1114 42.1416 178.4769 133 F 4.0029 9.1458 121.0184 61.7792 39.2875 176.9960 134 E 4.2171 9.0721 118.2573 59.5784 29.0073 179.2072 135 E 4.0498 8.2994 117.9214 59.5418 29.6836 179.1610 136 F 4.0980 8.4004 117.3682 60.4778 38.7783 177.7753 137 L 4.1114 7.8736 117.3675 57.2260 41.4527 179.1483 138 K 4.2142 7.8355 117.7758 58.5383 32.1667 177.1265 139 R 4.0613 7.4526 122.5061 56.4137 29.9308 176.2564 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 12 F 8.18 4.80 0.00 3.18 3.41 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 13 V 8.03 3.44 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 1.09 0.00 0.00 0.94 0.00 0.00 14 A 8.71 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.26 4.09 0.00 2.10 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 2.43 2.46 0.00 16 L 8.07 4.03 0.00 2.06 1.79 0.85 0.95 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 17 N 8.47 4.36 0.00 3.01 2.89 0.00 0.00 7.08 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.74 4.81 0.00 2.92 2.86 0.00 0.00 6.82 7.24 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 19 L 7.82 4.72 0.00 1.94 1.63 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.35 4.25 0.00 1.65 1.62 0.92 0.86 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 21 G 9.13 3.97 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 0.00 0.00 0.00 22 R 7.88 4.61 0.00 1.84 1.86 0.00 3.32 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 23 E 8.90 4.71 0.00 1.97 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 24 V 9.04 4.78 2.17 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 0.72 0.00 0.00 0.96 0.00 0.00 25 Q 8.87 5.01 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 26 V 9.35 4.78 2.17 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 1.03 0.00 0.00 0.98 0.00 0.00 27 V 8.53 4.59 1.74 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 0.99 0.00 0.00 0.85 0.00 0.00 28 L 8.97 5.42 0.00 1.89 1.74 0.98 0.67 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 29 S 9.07 4.42 0.00 4.05 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.27 4.68 0.00 2.86 2.96 0.00 0.00 6.23 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 31 G 8.20 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.61 4.44 0.00 2.17 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 0.00 2.35 2.43 0.00 33 V 7.91 4.85 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 1.00 0.00 0.00 0.93 0.00 0.00 34 Y 9.18 4.96 0.00 2.96 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 35 K 8.64 4.88 0.00 1.80 1.63 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.51 7.81 36 G 8.41 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 37 V 7.83 4.59 2.23 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 1.04 0.00 0.00 0.95 0.00 0.00 38 L 9.27 4.24 0.00 1.87 1.68 0.98 0.88 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 39 H 9.05 4.58 0.00 3.10 3.34 0.00 6.04 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 40 A 7.62 4.70 1.24 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 41 V 8.39 4.95 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 0.79 0.00 0.00 1.00 0.00 0.00 42 D 8.45 5.06 0.00 2.89 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 43 N 8.61 4.25 0.00 2.68 2.86 0.00 0.00 6.83 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 44 Q 8.03 3.92 0.00 2.03 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.07 2.24 0.00 45 L 7.90 3.76 0.00 1.70 1.85 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.72 4.85 0.00 3.04 2.86 0.00 0.00 6.82 7.15 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 47 I 8.68 4.98 1.92 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 1.38 1.12 0.94 0.00 0.00 48 V 8.80 4.68 2.10 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 0.67 0.00 0.00 1.09 0.00 0.00 49 L 8.65 5.21 0.00 1.56 1.53 1.00 0.57 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 50 A 8.81 4.86 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.47 4.43 0.00 2.75 2.84 0.00 0.00 6.86 7.37 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 52 A 8.01 5.07 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 53 S 9.45 5.83 0.00 3.71 3.71 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 54 N 8.12 5.43 0.00 2.36 1.75 0.00 0.00 6.75 6.73 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 55 K 8.47 3.91 0.00 1.69 1.87 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.35 7.81 56 A 8.05 4.25 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.10 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 0.00 0.00 0.00 0.00 58 E 8.00 3.99 0.00 2.09 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 2.27 2.29 0.00 59 K 7.89 5.05 0.00 1.40 1.56 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.43 7.81 60 F 9.21 4.87 0.00 2.96 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 61 N 9.14 4.43 0.00 2.80 2.85 0.00 0.00 6.90 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 62 R 7.82 4.93 0.00 1.54 0.99 0.00 3.02 0.00 0.00 3.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.46 0.00 63 V 8.34 4.03 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 0.44 0.00 0.00 0.77 0.00 0.00 64 F 8.81 4.75 0.00 2.89 2.99 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 65 I 8.54 4.46 1.96 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 1.07 0.49 0.93 0.00 0.00 *67 Y 8.49 4.76 0.00 3.29 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.02 3.72 0.00 1.35 1.42 0.00 2.95 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.00 69 Y 7.80 4.31 0.00 3.11 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.48 4.40 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 1.02 0.00 0.00 71 V 8.99 4.03 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 0.87 0.00 0.00 0.98 0.00 0.00 72 H 7.69 4.94 0.00 3.20 3.38 0.00 5.45 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.27 5.06 1.78 0.00 0.00 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 1.39 0.73 0.94 0.00 0.00 74 D 9.26 5.14 0.00 2.53 2.53 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 0.00 0.00 0.00 0.00 75 S 8.66 4.87 0.00 3.87 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 76 T 8.31 4.43 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 1.22 0.00 0.00 77 E 8.08 4.30 0.00 2.00 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 0.00 2.37 2.31 0.00 78 R 8.28 4.27 0.00 1.93 1.94 0.00 3.04 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 79 R 8.20 4.20 0.00 1.84 1.91 0.00 3.58 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 80 I 8.09 3.69 1.59 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.29 0.42 0.00 0.00 81 D 8.44 4.56 0.00 2.74 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 *83 R 8.41 3.73 0.00 1.95 1.75 0.00 3.02 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.05 0.00 84 E 8.75 4.04 0.00 2.24 2.36 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 0.00 2.44 2.66 0.00 85 F 8.31 3.68 0.00 2.66 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 86 A 7.96 4.06 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 87 K 7.82 3.85 0.00 1.92 2.03 0.00 2.02 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 88 Q 8.21 4.11 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.89 2.72 0.00 89 A 8.10 4.18 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.18 3.97 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 91 K 7.53 3.98 0.00 1.90 1.82 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.67 7.81 92 I 7.39 3.95 1.06 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.37 0.00 0.00 93 F 7.98 4.91 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.43 0.00 2.05 2.06 0.00 3.81 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 95 G 8.99 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 V 7.51 4.10 2.33 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 0.94 0.00 0.00 1.11 0.00 0.00 98 K 9.18 4.62 0.00 1.66 1.66 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 99 Y 8.82 4.65 0.00 3.02 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 0.00 100 I 8.68 3.95 1.70 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 1.09 1.13 0.81 0.00 0.00 101 E 8.60 3.65 0.00 2.08 1.99 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 2.33 2.44 0.00 102 E 8.13 4.01 0.00 1.90 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 2.27 2.32 0.00 103 T 7.39 4.41 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 1.17 0.00 0.00 104 N 7.71 4.11 0.00 2.92 2.92 0.00 0.00 6.80 7.01 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 0.00 105 V 7.14 4.64 1.97 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 0.92 0.00 0.00 0.91 0.00 0.00 106 V 8.72 5.19 2.22 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 1.02 0.00 0.00 1.25 0.00 0.00 107 L 9.31 5.03 0.00 1.57 1.52 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.69 4.37 1.62 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.95 0.08 0.00 0.00 109 G 8.85 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 0.00 110 D 8.74 4.86 0.00 2.63 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 0.00 111 K 8.04 4.52 0.00 1.66 1.76 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.42 7.81 112 V 7.50 4.66 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 0.96 0.00 0.00 0.91 0.00 0.00 113 R 9.05 4.98 0.00 1.83 1.66 0.00 3.04 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 114 V 9.10 4.76 1.99 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 0.50 0.00 0.00 1.00 0.00 0.00 115 S 8.52 5.16 0.00 3.87 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 0.00 116 E 8.96 4.23 0.00 2.12 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 2.28 2.35 0.00 117 I 8.99 4.19 1.84 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 1.22 0.49 0.85 0.00 0.00 118 G 6.23 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.30 4.68 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 0.84 0.00 0.00 0.80 0.00 0.00 120 E 10.22 4.55 0.00 1.93 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 121 G 7.73 4.65 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 0.00 122 V 7.89 4.36 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 0.75 0.00 0.00 0.93 0.00 0.00 123 G 8.66 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 0.00 124 P 0.00 4.25 0.00 2.22 2.16 0.00 3.63 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 2.14 2.17 0.00 125 V 7.81 3.76 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 0.90 0.00 0.00 1.01 0.00 0.00 126 A 7.97 3.98 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.43 3.93 0.00 2.21 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 2.54 2.50 0.00 128 R 8.42 4.04 0.00 2.15 2.38 0.00 3.20 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 129 A 8.58 4.37 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.49 4.06 0.00 2.08 1.94 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.59 7.81 131 R 8.10 4.12 0.00 2.11 2.06 0.00 3.38 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 L 8.27 4.09 0.00 2.09 2.06 0.38 1.01 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 0.00 133 F 9.15 4.00 0.00 3.47 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 9.07 4.22 0.00 2.31 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 0.00 2.48 2.66 0.00 135 E 8.30 4.05 0.00 2.35 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 2.38 2.56 0.00 136 F 8.40 4.10 0.00 3.09 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 0.00 137 L 7.87 4.11 0.00 1.92 1.81 1.22 1.01 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 0.00 138 K 7.84 4.21 0.00 1.93 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.69 7.81 139 R 7.45 4.06 0.00 1.80 1.76 0.00 2.70 0.00 0.00 2.89 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.