NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 N 4.7481 8.2833 118.2207 51.7480 38.9564 174.7971 18 P 4.1049 0.0000 0.0000 65.8692 31.2832 176.9666 19 N 4.3621 8.5117 115.0381 56.5621 38.8774 176.4275 20 E 3.9403 8.6995 120.0687 59.2504 29.7596 178.6472 21 A 3.9243 8.2021 120.8152 55.4623 18.2319 178.9397 22 Y 4.1936 8.2318 116.7798 61.0387 38.9716 178.1646 23 R 3.9522 7.8411 117.6210 59.4055 30.4658 178.1801 24 H 4.2295 8.4023 118.1442 59.4373 29.9675 178.5946 25 Y 4.2605 7.4838 116.2541 58.4100 37.4598 178.4727 *27 K 4.0859 8.0632 121.6892 56.3527 34.5224 178.1998 28 K 4.0217 8.1262 119.3610 59.6940 32.0462 178.9255 29 L 4.0768 7.8336 118.9334 57.5131 41.3020 179.2179 30 S 4.2060 7.4227 112.5666 60.1962 63.0961 174.2018 31 Y 4.9940 7.4988 119.3521 57.6973 39.3689 174.4818 32 E 5.2308 8.1373 117.1367 56.2136 33.3906 173.8246 33 T 4.7615 8.6616 112.4522 61.0906 71.4480 171.9246 34 D 5.2218 8.5130 125.3263 51.4544 42.7209 176.9604 35 I 3.8982 8.7008 118.8291 64.7742 37.0095 178.0271 36 A 3.9723 8.0777 120.5725 55.6422 18.2032 179.2112 37 D 4.3411 8.9895 117.3581 57.4384 40.7835 178.9980 38 L 4.0724 8.2645 121.1264 58.1252 42.1675 179.0990 39 S 4.4623 8.7421 114.7409 61.7779 62.7984 176.6456 40 I 3.8317 7.8759 123.2319 64.0395 36.7840 178.1804 41 D 4.4432 7.9819 119.6006 57.3991 40.1806 178.8421 42 I 3.7989 8.2199 120.7499 64.2064 36.8821 178.4772 43 K 4.0783 8.0393 119.6391 59.2501 32.2206 178.4026 44 K 4.3248 8.2306 115.9092 55.9848 32.2262 177.0928 45 G 3.9498 7.7674 106.2623 46.4060 0.0000 173.5721 46 Y 4.3483 8.0612 121.1097 57.6529 39.1643 175.8802 47 E 4.4463 8.3513 124.6878 56.2071 30.3657 176.8888 48 G 3.4847 5.5895 105.7176 45.8329 0.0000 173.3070 49 I 5.2142 6.8946 112.7787 58.9943 41.3646 175.5713 50 I 4.3482 8.5692 123.3979 59.3138 40.4064 174.8064 51 V 4.1874 8.2567 128.3661 62.5712 32.7009 174.6561 52 V 4.7018 8.8666 128.7788 61.0063 34.1104 173.7298 53 D 3.6188 8.7479 128.9313 53.5251 41.8142 176.5832 54 V 4.2550 7.7104 125.0249 62.7671 32.5617 176.5041 55 R 4.3693 7.8385 119.4112 56.0674 31.3814 175.0059 56 D 4.4820 8.6598 116.8478 54.4059 43.0012 176.5887 57 A 3.9760 8.7250 128.3000 55.5980 18.4595 179.5745 58 E 3.9256 9.0073 117.6033 59.5151 29.6927 178.7855 59 A 4.1409 8.3557 120.1439 55.4113 18.2322 178.7657 60 Y 3.9014 7.6855 116.1804 60.8775 39.2706 177.9940 61 K 4.1551 8.5175 120.3805 59.3084 32.2742 178.6270 62 E 4.0975 8.1333 118.5670 57.8007 29.5249 176.1482 63 C 5.0376 7.6487 118.3427 58.4583 34.9865 172.3653 64 H 4.8835 8.6042 120.8615 54.1583 32.6923 172.1274 65 I 3.9129 8.3734 119.5280 59.5971 37.9941 174.5337 66 P 4.9048 0.0000 0.0000 63.8550 31.6260 176.3368 67 T 3.3438 8.6673 109.9743 61.9794 67.1098 170.8088 68 A 5.0584 7.6316 123.0561 50.7601 20.7279 177.2978 69 I 4.2724 8.3954 115.5327 59.6764 40.3629 174.5973 70 S 4.1555 7.7286 118.6453 57.2696 62.6528 174.5537 71 I 4.5165 8.3553 128.0081 58.5156 39.3386 171.4618 72 P 4.4750 0.0000 0.0000 61.9953 32.3784 176.8573 73 G 3.7464 9.2072 114.1066 48.8541 0.0000 175.3815 74 N 4.4599 8.1132 115.2694 54.2281 37.4803 175.4897 75 K 4.4299 7.9175 118.1444 56.1077 32.4083 175.6366 76 I 3.9706 7.2174 120.8077 60.4204 37.7303 175.1390 77 N 4.4875 7.7537 121.1265 51.3991 39.7728 174.5746 78 E 4.0538 8.4575 116.3910 59.3975 29.1189 179.0133 79 D 4.4274 8.1865 118.9347 57.2668 41.0796 177.9161 80 T 4.2099 8.0812 111.0572 63.0824 67.9394 174.7702 81 T 4.5837 7.4212 109.8282 61.2321 69.6230 176.0013 82 K 3.9606 7.7765 122.0537 60.2729 32.4280 177.8904 83 R 4.3686 7.9703 112.9282 55.7396 29.5918 175.3433 84 L 4.6228 7.7233 119.1092 53.1278 42.9687 176.4097 85 S 4.3395 8.5233 118.3193 58.3255 62.8829 174.6908 86 K 4.5076 8.6556 125.9070 57.9125 32.2485 177.6847 87 E 4.1628 8.0776 118.1619 57.8904 29.8012 176.5376 88 K 4.5180 7.3054 116.6552 55.0504 34.7374 175.6906 89 V 4.5945 8.2720 119.6631 61.6384 34.5749 174.9332 90 I 4.3877 8.6625 128.8127 60.3045 38.9669 174.7173 91 I 4.9872 8.3157 127.7096 59.8337 39.4523 174.7436 92 T 5.1841 8.7457 118.1126 59.7736 71.4358 173.4242 93 Y 4.9280 7.8958 120.1029 56.1528 41.6129 174.2811 94 C 5.2295 8.5825 122.5789 55.7902 47.6510 173.5077 95 W 4.0188 9.3849 114.8430 58.9255 29.5671 176.3300 96 G 4.4411 7.9395 106.4852 45.3201 0.0000 171.3827 97 P 4.2309 0.0000 0.0000 65.8260 31.4060 176.6955 98 A 4.5694 8.0871 118.3991 52.1070 18.5904 176.9374 99 C 5.0654 8.0368 117.6360 56.1082 45.7754 174.2018 100 N 4.7513 8.4808 120.2808 52.7814 39.2640 177.0173 101 G 3.8627 8.1474 107.9087 48.2249 0.0000 175.3241 102 A 4.0505 8.0227 123.1449 54.8977 18.5220 179.7723 103 T 3.8597 7.8131 113.7432 66.7141 68.7967 177.0566 104 K 3.9796 8.4307 120.5948 59.2624 31.9905 179.2504 105 A 3.9952 8.4483 121.2478 55.1013 18.2894 179.2929 106 A 4.0558 8.4114 119.4436 55.3954 18.4398 179.5062 107 A 3.9532 7.8664 118.5803 55.4233 18.4741 179.9059 108 K 3.8581 7.8681 116.2251 59.8095 32.1624 179.5549 109 F 4.2044 8.4458 117.7544 60.6500 38.6971 177.6594 110 A 4.3688 8.6147 120.7943 55.1121 17.9132 179.4507 111 Q 4.0172 8.0164 117.5896 58.8628 29.2188 177.3263 112 L 4.3418 7.6728 117.5944 54.8579 41.8950 177.7125 113 G 3.8710 7.8029 107.8280 44.9473 0.0000 173.9135 114 F 4.6615 7.7753 117.8898 57.1025 40.3282 175.2450 115 R 4.7484 8.7122 120.2665 55.3547 31.6015 175.9424 116 V 5.0235 8.2553 121.6601 60.5189 34.8090 174.0270 117 K 5.0227 9.2605 120.7923 54.8853 37.0585 175.0661 118 E 5.0736 8.7766 120.9833 53.9797 32.7448 174.6377 119 L 4.9801 8.9201 125.3144 53.8751 43.3080 175.8127 120 I 4.0073 8.2359 121.3703 61.7954 38.6467 175.5124 121 G 4.0890 9.2271 111.8142 44.0555 0.0000 174.5979 122 G 4.1695 7.6453 106.9092 45.9958 0.0000 173.6288 123 I 3.8704 7.8684 116.5030 63.1756 37.9131 178.5883 124 E 3.8663 8.5170 120.9130 59.8420 29.5943 178.2428 125 Y 4.0175 8.3564 115.6173 59.5282 38.1314 177.9153 126 W 4.0425 7.8087 129.1287 60.4514 30.8613 178.1796 127 R 3.9296 8.2271 118.1129 59.0730 29.3389 179.0681 128 K 3.9460 7.7208 117.4185 59.1896 31.9841 178.1127 129 E 4.2243 7.9083 116.8898 55.7977 30.7015 176.1819 130 N 3.9955 7.7390 114.3119 54.5047 37.5666 174.0822 131 G 3.2764 7.2014 105.4745 43.7097 0.0000 173.4374 132 E 4.3076 8.5589 120.6766 55.9388 30.3483 176.9455 133 V 4.6853 8.1492 114.3551 59.5726 35.4144 174.9823 134 E 4.5852 9.5357 121.7877 54.1247 32.2770 177.1823 135 G 4.0770 8.1968 107.9443 44.8239 0.0000 172.4332 136 T 3.9612 7.7207 116.9076 66.6024 68.6672 176.0951 137 L 4.3239 7.9729 119.7534 54.5929 43.8521 178.8350 138 G 3.7865 7.5223 107.2606 46.5631 0.0000 175.7646 139 A 4.2628 8.8150 126.9348 53.0742 18.0906 178.4359 140 K 4.2759 8.3075 114.6993 56.3126 32.9179 176.9052 141 A 4.2889 7.4680 121.4695 51.5729 18.9316 176.9982 142 D 4.5897 8.4936 119.3628 54.5973 41.5028 176.8848 143 L 4.2008 8.5493 124.0332 56.5325 42.6195 176.6689 144 F 5.0223 7.6997 114.7196 54.7161 41.7977 174.6920 145 W 3.0469 8.2228 132.4122 57.0210 29.5904 175.4834 146 N 4.2932 7.3722 123.6956 51.8531 40.4770 174.6626 *148 K 4.3578 8.3645 115.6716 56.4006 33.8712 178.3778 149 K 3.8464 7.4625 117.1106 59.1579 32.4808 178.9347 150 E 4.0531 7.5219 117.5634 59.6227 29.5003 179.4927 151 S 4.2014 7.5156 112.8496 61.4651 62.9517 175.3781 152 L 4.4911 7.2945 118.3199 54.0930 41.3769 176.3197 153 E 4.3901 8.3921 126.4967 56.9725 30.1621 175.1135 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 17 N 8.28 4.75 0.00 2.98 3.03 0.00 0.00 6.09 6.88 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 18 P 0.00 4.10 0.00 2.28 2.22 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 19 N 8.51 4.36 0.00 3.03 2.91 0.00 0.00 6.73 7.66 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 20 E 8.70 3.94 0.00 2.06 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 2.29 2.34 0.00 21 A 8.20 3.92 1.56 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 0.00 0.00 22 Y 8.23 4.19 0.00 3.05 3.27 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 23 R 7.84 3.95 0.00 2.02 1.98 0.00 3.27 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 24 H 8.40 4.23 0.00 3.08 3.30 0.00 5.79 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 25 Y 7.48 4.26 0.00 3.01 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 *27 K 8.06 4.09 0.00 2.04 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 28 K 8.13 4.02 0.00 1.82 1.97 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.53 7.81 29 L 7.83 4.08 0.00 1.70 1.66 0.92 0.60 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 30 S 7.42 4.21 0.00 3.67 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 31 Y 7.50 4.99 0.00 2.92 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 32 E 8.14 5.23 0.00 2.06 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 0.00 2.48 2.29 0.00 33 T 8.66 4.76 4.26 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 1.29 0.00 0.00 34 D 8.51 5.22 0.00 2.82 2.77 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 35 I 8.70 3.90 2.07 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.10 0.90 0.00 0.00 36 A 8.08 3.97 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 37 D 8.99 4.34 0.00 2.83 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 38 L 8.26 4.07 0.00 2.01 2.05 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.74 4.46 0.00 4.01 4.13 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 40 I 7.88 3.83 2.03 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 0.73 0.90 0.00 0.00 41 D 7.98 4.44 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.22 3.80 2.04 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 1.82 1.43 0.99 0.00 0.00 43 K 8.04 4.08 0.00 1.88 1.92 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 44 K 8.23 4.32 0.00 1.89 1.87 0.00 1.91 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.59 7.81 45 G 7.77 3.95 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 0.00 0.00 0.00 46 Y 8.06 4.35 0.00 2.99 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 47 E 8.35 4.45 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 48 G 5.59 3.48 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 0.00 49 I 6.89 5.21 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.74 1.05 0.00 0.00 50 I 8.57 4.35 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.88 0.78 0.00 0.00 51 V 8.26 4.19 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 0.99 0.00 0.00 0.87 0.00 0.00 52 V 8.87 4.70 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 0.88 0.00 0.00 0.77 0.00 0.00 53 D 8.75 3.62 0.00 2.70 2.50 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 54 V 7.71 4.25 1.95 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 1.17 0.00 0.00 0.90 0.00 0.00 55 R 7.84 4.37 0.00 1.80 1.85 0.00 2.77 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.25 0.00 56 D 8.66 4.48 0.00 2.95 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 57 A 8.72 3.98 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 58 E 9.01 3.93 0.00 2.22 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 0.00 2.47 2.62 0.00 59 A 8.36 4.14 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 60 Y 7.69 3.90 0.00 2.95 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 61 K 8.52 4.16 0.00 2.11 2.01 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.72 7.81 62 E 8.13 4.10 0.00 2.29 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 63 C 7.65 5.04 0.00 3.00 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 64 H 8.60 4.88 0.00 3.01 2.96 0.00 5.50 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.37 3.91 1.33 0.00 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.02 -0.14 0.00 0.00 66 P 0.00 4.90 0.00 2.04 2.02 0.00 3.63 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 67 T 8.67 3.34 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 1.21 0.00 0.00 68 A 7.63 5.06 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 69 I 8.40 4.27 1.76 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 1.23 0.52 0.87 0.00 0.00 70 S 7.73 4.16 0.00 2.72 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 71 I 8.36 4.52 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.11 0.84 0.00 0.00 72 P 0.00 4.48 0.00 2.01 1.98 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 73 G 9.21 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 74 N 8.11 4.46 0.00 2.80 2.95 0.00 0.00 5.90 7.13 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 75 K 7.92 4.43 0.00 1.80 1.77 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.48 7.81 76 I 7.22 3.97 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.21 0.00 0.00 77 N 7.75 4.49 0.00 2.83 2.84 0.00 0.00 6.27 7.66 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 78 E 8.46 4.05 0.00 2.02 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 2.40 2.40 0.00 79 D 8.19 4.43 0.00 2.86 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 80 T 8.08 4.21 4.19 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 1.36 0.00 0.00 81 T 7.42 4.58 4.48 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 1.16 0.00 0.00 82 K 7.78 3.96 0.00 2.01 2.23 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.41 7.81 83 R 7.97 4.37 0.00 1.95 2.07 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 84 L 7.72 4.62 0.00 1.87 1.52 0.81 0.78 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 85 S 8.52 4.34 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.66 4.51 0.00 1.75 1.75 0.00 1.44 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.18 7.81 87 E 8.08 4.16 0.00 1.99 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 2.43 0.00 88 K 7.31 4.52 0.00 1.67 1.82 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.35 7.81 89 V 8.27 4.59 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 1.13 0.00 0.00 0.97 0.00 0.00 90 I 8.66 4.39 1.32 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 -0.23 -0.28 0.00 0.00 91 I 8.32 4.99 1.84 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 1.24 0.92 0.92 0.00 0.00 92 T 8.75 5.18 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 1.14 0.00 0.00 93 Y 7.90 4.93 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 C 8.58 5.23 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 W 9.38 4.02 0.00 3.45 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.94 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 0.00 0.00 0.00 0.00 97 P 0.00 4.23 0.00 2.21 2.23 0.00 4.08 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 98 A 8.09 4.57 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 99 C 8.04 5.07 0.00 3.02 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 0.00 100 N 8.48 4.75 0.00 2.79 2.78 0.00 0.00 6.81 7.59 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 0.00 101 G 8.15 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 0.00 102 A 8.02 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.81 3.86 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 1.20 0.00 0.00 104 K 8.43 3.98 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.64 7.81 105 A 8.45 4.00 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 0.00 106 A 8.41 4.06 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.87 3.86 0.00 1.78 1.72 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.66 7.81 109 F 8.45 4.20 0.00 3.36 3.14 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 0.00 0.00 0.00 110 A 8.61 4.37 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.02 4.02 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 112 L 7.67 4.34 0.00 2.10 1.78 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.80 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 0.00 114 F 7.78 4.66 0.00 3.39 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 0.00 115 R 8.71 4.75 0.00 1.80 1.89 0.00 3.31 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 116 V 8.26 5.02 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 0.83 0.00 0.00 0.86 0.00 0.00 117 K 9.26 5.02 0.00 1.65 1.70 0.00 1.65 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.39 7.81 118 E 8.78 5.07 0.00 2.10 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 2.46 2.12 0.00 119 L 8.92 4.98 0.00 1.81 1.80 1.06 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 0.00 120 I 8.24 4.01 1.88 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 1.45 0.72 0.94 0.00 0.00 121 G 9.23 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 0.00 0.00 0.00 0.00 122 G 7.65 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 0.00 123 I 7.87 3.87 1.78 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 1.41 1.16 0.91 0.00 0.00 124 E 8.52 3.87 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 125 Y 8.36 4.02 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 W 7.81 4.04 0.00 3.57 3.10 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 0.00 127 R 8.23 3.93 0.00 2.03 1.94 0.00 3.22 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 128 K 7.72 3.95 0.00 1.51 1.73 0.00 0.61 0.00 0.00 1.31 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 1.32 7.81 129 E 7.91 4.22 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 130 N 7.74 4.00 0.00 2.73 2.70 0.00 0.00 6.94 7.44 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 0.00 131 G 7.20 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.56 4.31 0.00 2.11 1.95 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 2.33 2.34 0.00 133 V 8.15 4.69 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 0.83 0.00 0.00 0.95 0.00 0.00 134 E 9.54 4.59 0.00 1.74 1.67 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 2.17 2.16 0.00 135 G 8.20 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 0.00 0.00 0.00 0.00 136 T 7.72 3.96 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 0.00 137 L 7.97 4.32 0.00 1.72 1.77 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.52 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 0.00 0.00 0.00 139 A 8.82 4.26 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.31 4.28 0.00 1.93 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.37 7.81 141 A 7.47 4.29 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 0.00 142 D 8.49 4.59 0.00 2.84 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 0.00 143 L 8.55 4.20 0.00 1.44 1.36 0.73 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.70 5.02 0.00 2.98 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 0.00 145 W 8.22 3.05 0.00 1.96 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 0.00 146 N 7.37 4.29 0.00 2.49 2.34 0.00 0.00 7.18 6.75 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 *148 K 8.36 4.36 0.00 1.80 1.78 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.32 7.81 149 K 7.46 3.85 0.00 1.76 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.35 7.81 150 E 7.52 4.05 0.00 1.95 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 0.00 2.17 2.74 0.00 151 S 7.52 4.20 0.00 3.84 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 0.00 152 L 7.29 4.49 0.00 1.68 1.66 0.92 0.78 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 0.00 153 E 8.39 4.39 0.00 1.94 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 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.