NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.1513 8.3349 117.0763 57.4523 63.2841 172.9418 *6 P 4.3163 0.0000 0.0000 61.6220 33.7073 177.8231 7 E 4.7169 7.3929 114.0634 55.5720 30.5142 174.8783 8 Y 5.1938 6.8754 114.3876 56.1556 40.3911 173.4150 9 D 4.4353 8.9529 122.1033 56.0308 41.1713 177.3282 10 Y 4.5016 7.5844 114.4745 57.2235 40.8858 174.0509 11 L 4.4611 8.0443 122.1619 54.3717 44.8417 174.5883 12 F 5.0134 8.8344 126.9055 55.8611 41.0275 175.2433 13 K 5.0801 9.1275 124.3083 55.8108 33.6137 175.9176 14 L 5.3501 9.7004 125.1503 52.9441 45.1101 175.4876 15 L 4.7099 8.9122 123.9678 53.7363 43.3650 175.9991 16 L 5.0758 8.7345 127.0784 53.4656 41.2355 173.9969 17 I 4.1839 8.6796 123.3089 60.2449 38.4063 175.4597 18 G 4.4522 8.2917 115.4621 46.2473 0.0000 172.5436 19 D 4.8324 8.9751 121.9887 53.2531 42.0022 176.0836 20 S 4.2956 8.3890 115.1410 59.3208 62.9585 173.8822 21 G 3.9159 8.8732 114.0032 46.2781 0.0000 174.2236 22 V 4.0216 7.9217 120.0126 62.4604 32.4580 176.2805 23 G 4.0435 8.1853 107.1488 45.8352 0.0000 175.3589 24 K 4.1702 8.4675 119.9748 59.2751 32.3408 179.7974 25 S 4.2776 8.2797 113.1094 61.7860 62.5522 176.3291 26 C 4.7682 8.1729 115.1272 57.1781 40.1937 173.7099 27 L 4.5352 8.5337 121.5907 56.1581 42.2617 177.2747 28 L 4.9964 7.3658 117.4619 55.8884 41.0401 177.7390 29 L 4.3110 8.1662 121.5154 58.6942 41.2711 177.1602 30 R 4.4775 8.0158 116.3157 55.8054 30.2540 175.2243 31 F 4.7699 7.9519 116.9285 55.4641 40.8143 175.3658 32 A 4.2958 8.3987 125.7555 51.6025 19.4319 176.6667 33 D 4.5984 8.6056 121.1987 53.9078 42.3268 176.0155 34 D 4.3844 8.5052 120.8538 54.4300 41.1778 176.6708 35 T 3.9325 8.7707 122.6078 65.1994 67.4257 173.7007 36 Y 4.3064 7.5226 119.8958 57.9840 39.3872 174.7672 37 T 4.2482 6.7199 117.9727 60.8267 70.4923 172.1507 38 E 4.5735 8.0405 123.8664 54.6441 32.9562 175.8621 39 S 4.0877 8.8712 114.5699 62.2835 62.8811 176.0284 40 Y 4.3085 8.1384 120.2226 60.5888 39.1097 177.6663 41 I 3.5587 7.8432 120.1684 64.2737 37.5081 178.3500 42 S 4.1445 7.9474 116.2129 61.5587 62.7601 175.8933 43 T 4.0490 7.3979 109.7124 63.5567 68.7974 175.3645 44 I 4.2073 7.3583 119.8942 59.7582 39.9273 176.3278 45 G 3.6619 8.5274 107.4838 44.4362 0.0000 171.9196 46 V 4.4564 7.6432 111.4047 59.9913 35.8335 174.4309 47 D 5.1286 8.3614 117.3872 53.0015 40.2056 175.6761 48 F 5.7147 7.1490 111.6879 55.6099 41.1813 173.4186 49 K 4.7774 8.2591 118.1037 54.5733 35.7945 175.2323 50 I 5.0411 8.4356 116.3857 59.6525 41.1003 174.3914 51 R 4.6801 8.4169 120.7543 55.8609 34.0378 173.4018 52 T 5.0644 8.5988 122.6422 61.7938 71.0256 173.3679 53 I 4.6325 8.5840 125.9865 58.7325 41.7252 173.9059 54 E 4.5479 8.8440 130.1947 56.2451 30.4720 175.9370 55 L 4.4263 9.0617 128.4244 55.1500 45.1973 174.9027 56 D 4.4148 9.9657 124.8585 55.3663 38.4863 174.0216 57 G 3.9639 8.6600 103.8906 46.0193 0.0000 174.1094 58 K 4.6520 8.0287 118.0773 54.1301 36.0275 175.6652 59 T 4.6446 8.5364 113.4400 61.6603 70.1640 173.2159 60 I 4.7943 8.7356 127.5888 59.0869 40.4282 174.3754 61 K 4.7716 8.2166 127.5404 54.7555 34.0594 175.0850 62 L 4.9318 9.1754 128.1674 54.0899 43.9699 176.0701 63 Q 4.2181 8.7875 123.1639 54.7413 32.0082 173.3510 64 I 4.4622 8.2758 128.9949 59.8155 39.0392 175.2056 65 W 4.7877 9.7272 128.7900 55.0031 30.2043 175.2135 66 D 4.5535 8.4272 128.1626 52.2719 38.5950 174.6196 67 T 3.8336 8.2121 114.9537 63.4616 69.1583 173.7347 68 A 4.0622 8.7374 130.3454 53.3329 18.1961 177.1075 69 G 3.9229 8.9158 112.4913 46.9530 0.0000 175.6172 70 Q 3.9118 8.2416 120.9030 58.4578 29.2755 178.5374 71 E 4.0543 8.4379 116.7507 59.7284 29.4338 179.0051 72 R 3.6324 7.0744 115.1130 57.8513 30.0707 176.6607 73 F 4.8233 7.7560 115.2864 56.0892 40.7288 174.6552 74 R 4.5264 8.5884 126.0449 55.9761 30.7612 176.1723 75 T 4.3015 8.0229 115.3702 62.4392 69.0142 174.8427 76 I 4.1438 8.3535 128.5336 60.7460 36.4243 174.9351 77 T 4.1911 7.5984 121.9143 62.4351 70.4004 175.3780 78 S 5.1876 6.7700 119.5329 59.4826 64.1735 178.4187 79 S 4.5694 7.5690 121.9732 57.4030 63.2453 175.2642 *82 R 4.3482 7.8055 122.9663 55.8727 32.2463 176.1653 83 G 3.6649 7.9456 104.6679 46.9132 0.0000 174.1612 84 A 4.1211 7.7063 121.4608 52.9601 18.9218 177.0163 85 H 4.5376 9.1634 117.9394 57.7059 30.3088 175.7059 86 G 4.4784 7.9256 104.8114 45.0395 0.0000 171.9381 87 I 4.9266 9.1730 125.8145 59.4260 40.2273 174.6609 88 I 5.0638 8.8567 127.0598 59.5378 40.5929 174.4254 89 V 5.2286 8.4796 126.8852 60.3936 33.6787 174.3700 90 V 4.9854 8.7246 127.5049 61.0570 33.5196 174.4210 91 Y 4.7023 8.4020 126.6281 56.3449 38.7361 176.3960 *93 V 4.0068 8.6460 116.0899 63.6417 33.2339 177.7037 94 T 4.3720 7.5385 109.8256 59.9360 68.7006 175.8754 95 D 4.7109 7.6029 120.5110 54.0754 44.4688 174.6196 96 Q 4.1875 8.8205 126.2638 59.2982 29.3523 178.0721 97 E 4.0021 8.1289 115.9237 58.0590 29.0220 178.9066 98 S 4.1281 7.7530 114.4016 61.4571 62.5006 175.7912 99 F 3.9968 8.2546 122.7357 60.9186 38.9706 176.9150 100 N 3.8768 7.8812 115.0032 56.1605 38.5671 176.6789 101 N 3.8760 7.6967 117.8068 55.9992 38.4717 177.7243 102 V 3.2977 6.7752 120.9762 66.1999 31.1546 178.7189 103 K 3.1381 7.0801 123.5314 59.4608 31.3683 182.0370 104 Q 4.3377 7.3592 119.9245 58.4469 28.9746 178.2196 105 W 4.3714 7.5710 119.6217 59.8974 29.3818 178.0829 106 L 4.1092 8.3504 120.4077 58.2057 41.3610 179.0718 107 Q 4.0382 7.6953 118.2961 58.5726 28.7445 177.5021 108 E 3.9842 7.9437 117.4473 57.8326 29.8486 178.2625 109 I 4.0630 7.8191 119.9464 64.6704 37.3557 177.4090 110 D 4.3790 7.8178 119.5025 58.0534 41.0627 178.8809 111 R 4.0250 7.6464 120.3314 59.7052 30.6903 178.9071 112 Y 5.2578 7.1831 114.6279 56.1704 39.4730 174.3331 113 A 4.3784 8.3830 125.2126 53.1253 18.0070 178.7224 *115 E 4.1731 9.2131 121.9673 55.4966 31.9322 179.1710 116 N 4.5617 8.5285 112.0503 56.1840 37.8724 173.1127 117 V 4.1255 6.9221 110.2003 61.8286 32.3516 176.3010 118 N 4.6987 8.7972 122.6347 53.2880 39.8357 174.3569 119 K 5.5746 8.4043 120.2412 53.7267 36.3300 175.7686 120 L 4.7417 8.4266 125.6449 53.8560 45.5130 174.0206 121 L 4.9693 9.1715 129.4637 54.3510 43.8871 175.4678 122 V 5.2145 8.9339 127.4306 60.6712 34.9820 174.4843 *124 N 5.2155 8.5821 121.7377 53.6434 39.0818 171.8418 125 K 4.4342 8.3301 120.4490 53.5676 35.4402 177.3348 126 C 4.7661 8.6748 123.6066 53.9340 46.2722 172.5660 127 D 4.2229 8.5735 118.8043 54.8791 38.3997 174.1706 128 L 4.3758 7.4654 119.1413 55.4251 40.0323 178.2834 129 T 4.4169 7.4700 125.2338 61.8830 69.7012 175.2102 *132 K 4.1331 7.9527 122.4993 56.7791 32.0252 174.6260 133 V 4.1650 8.5104 126.7701 62.8654 31.9674 176.3118 134 V 4.3093 7.6828 118.2218 60.1942 34.3364 180.8661 135 D 4.8836 8.2339 123.6174 51.4193 41.0024 172.5000 136 Y 4.7057 8.4224 115.9757 59.3199 38.8937 175.6235 137 T 4.5312 8.3130 113.8826 65.9076 75.2097 177.5142 138 T 3.6403 6.8813 113.4055 64.1806 68.8356 173.4645 *140 K 4.0104 8.2124 124.0106 56.9738 34.0398 178.0477 *141 E 3.9887 8.4521 118.6356 61.0530 29.9658 182.2519 142 F 4.2061 8.1149 121.3570 60.7709 39.5409 177.0840 143 A 4.0181 7.9462 120.2045 55.2282 18.1690 178.9965 144 D 4.4189 7.9144 115.6583 56.6473 40.9639 178.4747 145 S 4.1331 7.5206 112.1099 60.2258 62.3992 174.3298 146 L 4.3866 7.4371 117.6841 54.0091 43.6673 176.3600 147 G 3.8692 8.7313 105.7974 45.8712 0.0000 173.7905 148 I 4.6668 7.7454 117.0173 58.4617 41.1260 175.6814 149 P 4.3868 0.0000 0.0000 63.0101 32.1149 175.0741 150 F 5.4924 8.8271 126.5328 56.7147 41.8793 174.5318 151 L 4.0771 7.3994 125.3899 53.6266 45.7767 174.0455 152 E 4.4449 8.5433 128.5292 56.2069 30.6811 176.1588 153 T 4.6736 8.1540 119.8660 60.2326 73.5452 169.5951 154 S 3.4104 8.6521 116.8084 59.2962 61.2254 171.9793 *158 A 4.2216 8.0549 121.3888 52.8018 19.4836 177.9274 159 T 4.1687 8.1383 115.3463 65.3948 68.5248 176.9889 160 N 4.3190 8.0772 118.7623 56.3564 38.7370 176.4621 161 V 3.6895 7.6291 120.1835 64.2326 32.0214 177.9289 162 E 4.0776 8.0488 119.5567 59.2626 29.4100 178.6255 163 Q 4.1075 8.0165 116.8074 58.6062 28.8014 178.3613 164 S 4.2814 7.3897 114.4328 60.2907 62.9360 174.6750 165 F 5.0341 7.5123 119.7509 58.1686 40.1571 176.1916 *167 T 4.0556 7.7873 112.2882 63.7001 69.7581 175.2813 *169 A 4.4984 8.0812 121.4033 51.6522 20.0646 178.3448 170 A 4.6991 7.7991 119.3841 52.7777 20.3927 178.8105 171 E 3.9155 8.1063 117.0258 59.1930 30.2372 178.3226 172 I 3.6220 7.3959 119.5328 63.7863 36.8376 178.0996 173 K 3.8682 7.6832 119.4235 59.4278 32.2458 178.6885 174 K 4.0843 7.6534 117.0933 58.3714 31.9698 177.5667 175 R 4.2488 7.4597 123.2466 56.3992 30.1766 175.4695 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 3 S 8.33 4.15 0.00 3.65 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 *6 P 0.00 4.32 0.00 1.81 1.94 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 7 E 7.39 4.72 0.00 2.04 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 2.20 2.31 0.00 8 Y 6.88 5.19 0.00 2.96 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 9 D 8.95 4.44 0.00 2.59 2.19 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 10 Y 7.58 4.50 0.00 2.55 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.04 4.46 0.00 1.59 1.53 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.83 5.01 0.00 3.01 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 13 K 9.13 5.08 0.00 1.81 1.96 0.00 1.44 0.00 0.00 1.96 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.72 1.64 7.81 14 L 9.70 5.35 0.00 1.50 1.56 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.91 4.71 0.00 1.64 1.61 0.89 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.73 5.08 0.00 1.58 1.71 1.02 0.99 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 17 I 8.68 4.18 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.05 0.74 0.00 0.00 18 G 8.29 4.45 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 0.00 19 D 8.98 4.83 0.00 2.94 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 20 S 8.39 4.30 0.00 3.98 3.78 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 0.00 0.00 0.00 21 G 8.87 3.92 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 0.00 0.00 0.00 22 V 7.92 4.02 2.44 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 0.94 0.00 0.00 1.07 0.00 0.00 23 G 8.19 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 24 K 8.47 4.17 0.00 1.87 1.91 0.00 1.76 0.00 0.00 2.03 0.00 0.00 3.24 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.50 7.81 25 S 8.28 4.28 0.00 4.01 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 26 C 8.17 4.77 0.00 3.01 3.18 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 27 L 8.53 4.54 0.00 1.83 2.07 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.37 5.00 0.00 1.77 1.71 0.85 1.01 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 29 L 8.17 4.31 0.00 1.81 1.89 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.02 4.48 0.00 1.80 2.06 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 31 F 7.95 4.77 0.00 2.93 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 32 A 8.40 4.30 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 33 D 8.61 4.60 0.00 2.54 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 34 D 8.51 4.38 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 3.93 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 1.28 0.00 0.00 36 Y 7.52 4.31 0.00 3.03 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 37 T 6.72 4.25 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 1.04 0.00 0.00 38 E 8.04 4.57 0.00 2.12 1.89 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 2.33 2.40 0.00 39 S 8.87 4.09 0.00 3.93 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 40 Y 8.14 4.31 0.00 3.03 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 41 I 7.84 3.56 1.85 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 1.52 0.58 0.87 0.00 0.00 42 S 7.95 4.14 0.00 4.07 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 43 T 7.40 4.05 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 1.24 0.00 0.00 44 I 7.36 4.21 1.62 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.31 0.84 0.00 0.00 45 G 8.53 3.66 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 0.00 0.00 0.00 46 V 7.64 4.46 1.47 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 0.64 0.00 0.00 0.08 0.00 0.00 47 D 8.36 5.13 0.00 3.13 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 48 F 7.15 5.71 0.00 2.04 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 0.00 0.00 0.00 49 K 8.26 4.78 0.00 1.36 1.70 0.00 1.88 0.00 0.00 1.93 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.24 7.81 50 I 8.44 5.04 1.85 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 1.23 0.98 0.93 0.00 0.00 51 R 8.42 4.68 0.00 2.06 1.73 0.00 3.01 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 0.00 52 T 8.60 5.06 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 1.29 0.00 0.00 53 I 8.58 4.63 1.87 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 1.13 1.49 0.94 0.00 0.00 54 E 8.84 4.55 0.00 2.04 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 2.31 2.33 0.00 55 L 9.06 4.43 0.00 1.68 1.48 0.94 1.06 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 56 D 9.97 4.41 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 57 G 8.66 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 58 K 8.03 4.65 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0.00 3.13 3.29 0.00 5.64 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 86 G 7.93 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 0.00 0.00 0.00 0.00 87 I 9.17 4.93 1.92 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 1.25 1.06 0.96 0.00 0.00 88 I 8.86 5.06 2.12 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.06 1.18 0.00 0.00 89 V 8.48 5.23 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 1.52 0.00 0.00 1.07 0.00 0.00 90 V 8.72 4.99 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 0.97 0.00 0.00 1.06 0.00 0.00 91 Y 8.40 4.70 0.00 3.35 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *93 V 8.65 4.01 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 0.93 0.00 0.00 0.44 0.00 0.00 94 T 7.54 4.37 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.58 1.44 7.81 *141 E 8.45 3.99 0.00 1.96 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 2.24 2.18 0.00 142 F 8.11 4.21 0.00 3.30 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 0.00 143 A 7.95 4.02 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.91 4.42 0.00 2.73 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 0.00 145 S 7.52 4.13 0.00 3.81 3.73 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 0.00 146 L 7.44 4.39 0.00 1.65 1.64 0.67 1.00 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 0.00 147 G 8.73 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 0.00 148 I 7.75 4.67 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.74 1.02 0.00 0.00 149 P 0.00 4.39 0.00 2.11 2.02 0.00 3.87 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 150 F 8.83 5.49 0.00 2.98 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 0.00 151 L 7.40 4.08 0.00 1.58 1.19 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.54 4.44 0.00 2.04 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 2.39 2.56 0.00 153 T 8.15 4.67 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 1.21 0.00 0.00 154 S 8.65 3.41 0.00 3.73 3.70 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 *158 A 8.05 4.22 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 0.00 159 T 8.14 4.17 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 0.00 160 N 8.08 4.32 0.00 2.69 2.81 0.00 0.00 7.04 7.71 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 0.00 161 V 7.63 3.69 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 0.90 0.00 0.00 0.81 0.00 0.00 162 E 8.05 4.08 0.00 2.06 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 2.33 2.29 0.00 163 Q 8.02 4.11 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 164 S 7.39 4.28 0.00 3.72 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 0.00 165 F 7.51 5.03 0.00 3.28 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 *167 T 7.79 4.06 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 1.22 0.00 0.00 *169 A 8.08 4.50 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 0.00 170 A 7.80 4.70 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 0.00 171 E 8.11 3.92 0.00 1.96 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 2.27 2.33 0.00 172 I 7.40 3.62 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.21 0.00 0.00 173 K 7.68 3.87 0.00 1.79 1.99 0.00 1.23 0.00 0.00 1.39 0.00 0.00 2.95 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.38 1.51 7.81 174 K 7.65 4.08 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.43 7.81 175 R 7.46 4.25 0.00 1.95 1.79 0.00 3.44 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.