NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 V 3.9840 8.0129 117.9103 60.1817 33.3540 174.7629 *29 T 3.7296 8.9645 114.2767 63.9312 68.2996 172.4601 30 G 3.8297 10.0578 117.3195 44.6157 0.0000 174.4996 31 D 4.3823 8.5196 121.7214 57.6922 40.8691 178.7886 32 T 4.3069 7.8816 106.2519 63.1188 68.7475 174.2826 33 D 4.6296 7.7996 121.4391 55.9200 41.7341 177.3403 34 Q 4.1668 7.9282 117.4613 54.9797 29.2239 174.6034 35 P 4.3950 0.0000 0.0000 63.2009 31.8805 176.8181 36 I 4.2879 7.8086 121.5731 60.1557 37.1633 175.2320 37 H 4.5305 8.5826 124.5727 55.2687 27.0323 173.5043 38 I 4.1548 7.6064 121.9614 60.7863 38.2137 175.0558 39 E 4.8307 8.4561 123.6107 55.3335 32.8384 174.0211 40 S 4.5171 8.5559 118.5384 58.0392 64.5213 173.3692 41 D 4.9081 9.0934 118.4428 56.1509 42.8535 177.9119 42 Q 4.8332 7.9162 117.1260 53.9291 32.5544 175.9181 43 Q 4.9217 8.7168 119.0356 54.4037 31.9798 175.1048 44 S 4.3706 7.9766 115.2240 56.7721 63.9665 173.2980 45 L 4.1422 8.1745 128.0819 55.7355 42.9399 174.9366 46 D 4.7822 8.2179 121.3081 53.6416 44.6377 175.6044 47 M 4.6355 8.4380 118.5104 54.3942 32.7344 173.6461 *50 N 4.5517 8.2278 121.4640 53.1606 40.7647 174.1564 51 V 4.6193 7.8359 115.0185 59.1219 34.0114 178.0336 52 V 4.4215 8.0249 125.4066 60.6139 33.6353 174.8973 53 T 4.9905 8.1617 123.7893 62.6116 71.1084 173.6157 54 F 5.2444 9.3239 121.8172 56.5401 43.7868 174.0079 55 T 4.9062 8.8608 116.9821 63.2915 73.5443 170.2355 56 G 3.9204 8.8098 119.7526 45.7340 0.0000 173.2360 57 N 4.1176 8.6146 127.0311 53.9739 37.5430 174.6111 58 V 4.0007 7.3160 116.1027 62.9604 33.3067 175.2576 59 I 4.5753 8.9113 128.0597 59.7053 40.7548 174.3318 60 V 4.4476 8.4370 128.5636 60.2640 32.6751 175.5311 61 T 4.8678 8.0522 115.4298 60.1406 72.2904 173.5738 62 Q 4.0165 8.9365 120.4897 58.0630 31.2625 175.2950 63 G 4.1295 9.6576 119.4714 46.0890 0.0000 171.8557 64 T 4.6337 8.4951 112.2064 60.8617 72.0224 175.7723 65 I 4.0278 7.6910 124.3572 61.7162 37.8061 175.6514 66 K 4.8460 8.4847 126.7548 55.3295 33.5798 172.8862 67 I 4.3593 8.5543 123.5632 60.6353 38.4936 174.3100 68 N 5.3447 8.8163 125.4466 52.0822 41.0035 174.7829 69 A 4.7969 8.4263 123.2584 51.9351 22.3550 175.1929 70 D 4.7665 9.3845 115.8130 56.1312 43.8338 177.3969 71 K 5.6065 7.7919 120.1503 53.8886 33.1242 178.8545 72 V 4.3073 8.1786 126.3184 62.6366 33.6412 174.8694 73 V 5.1830 9.0514 125.8342 60.5419 34.4285 174.9841 74 V 5.1177 9.0442 118.1775 59.8624 34.3713 174.7354 75 T 4.8990 8.1406 110.6714 60.8202 72.5358 173.1424 76 R 4.4515 8.2787 124.0743 55.0306 30.3643 173.5991 *77 P 4.2574 0.0000 0.0000 61.9476 32.9444 177.6973 *83 K 4.3899 8.3854 122.5573 54.7688 33.9321 176.4845 84 E 4.9160 7.8615 114.9547 56.5441 31.3789 181.5922 85 V 4.7416 8.2982 121.5959 61.0374 34.6076 174.1208 86 I 4.6401 8.7791 130.1299 60.5550 38.8496 174.9437 87 D 5.3639 8.6269 125.8642 51.4458 44.5076 175.0520 88 G 4.4461 8.4160 109.6371 44.7369 0.0000 171.2827 89 Y 5.0844 8.8570 116.3413 55.7650 42.8212 174.3441 90 G 4.5365 7.0799 115.0263 45.1166 0.0000 172.8773 91 K 4.9153 8.0581 125.3194 52.4833 32.7086 174.5350 92 P 5.2760 0.0000 0.0000 59.6703 34.4482 174.8799 93 A 4.7742 8.9243 123.8143 50.7495 20.2383 176.7787 94 T 4.5600 8.5620 113.3668 62.1197 70.4652 173.5793 95 F 5.2053 8.8065 125.8594 56.7005 42.1062 173.5578 96 Y 5.3073 7.0875 125.5481 55.3471 42.9790 173.6599 97 Q 4.6436 6.8923 122.0920 55.3817 32.6678 172.2512 98 M 4.3579 7.9996 125.5937 54.9876 32.9156 176.2555 99 Q 4.3515 8.2028 125.0011 55.2558 29.8183 176.9620 100 D 4.3444 8.5998 119.2415 57.1035 40.9064 177.3391 101 N 4.6562 8.1779 114.2873 52.3740 37.5015 175.9955 102 G 3.8425 8.0930 110.8104 46.1097 0.0000 174.6589 103 K 4.2798 7.2921 122.6552 52.7327 31.8146 180.3689 104 P 4.5571 0.0000 0.0000 61.4737 32.6846 176.2861 105 V 4.2788 7.7455 121.0131 61.5235 33.8958 175.1645 106 E 4.8047 8.3811 129.1022 56.3999 31.8199 175.6528 107 G 4.5237 8.0527 108.3712 44.8947 0.0000 171.7941 108 H 5.1774 7.7798 111.6730 55.4617 30.9973 173.5538 109 A 4.7957 7.8944 124.7158 52.8330 22.6306 176.1517 110 S 4.5410 9.3670 121.3661 61.8364 61.9994 172.5923 111 Q 4.3304 8.6812 117.1565 55.9051 29.8642 179.6791 112 M 4.9137 7.8033 117.6313 54.4954 33.3619 172.3783 113 H 4.8028 9.0615 121.2471 56.0977 31.7505 173.3414 114 Y 5.0518 9.2473 127.1276 56.1947 41.9911 173.7632 115 E 4.9181 9.0802 127.7128 54.2880 30.9759 176.5278 116 L 4.4390 8.6172 124.4098 55.6628 42.3869 177.7306 117 A 4.2137 8.3825 123.5288 56.1508 18.2932 179.6748 118 K 4.6783 7.4618 114.0339 54.2607 33.6818 177.4093 119 D 4.5039 8.2581 116.6612 56.1185 38.6035 172.8957 120 F 4.8330 8.1045 121.1025 57.5291 40.9821 174.5709 121 V 4.7176 8.3175 124.5597 61.1674 35.4558 174.7115 122 V 4.6653 8.4472 126.0503 61.7394 34.4709 173.9178 123 L 4.7019 8.8256 128.7785 54.8659 43.6559 176.3303 124 T 4.7019 8.3066 116.8894 63.4646 73.5797 169.5300 125 G 3.9669 9.4380 125.4013 46.7348 0.0000 174.1959 126 N 4.1469 8.7014 124.1222 52.8812 34.9048 170.3323 127 A 4.9006 7.4669 120.7391 51.3688 21.5343 178.0672 128 Y 4.9756 8.2123 122.9933 57.9356 40.7361 172.7309 129 L 4.7465 8.0154 127.2074 53.1210 40.0462 174.7046 130 Q 3.8840 7.2191 126.6308 55.1095 30.5047 176.3961 131 Q 4.7041 8.2687 125.4968 53.7565 29.8562 175.2472 132 V 3.6460 7.9147 117.0153 62.1072 31.7501 175.5242 133 D 4.4608 9.0540 124.8625 56.4522 39.2883 177.3263 134 S 4.4378 7.8357 115.3197 58.2725 63.5941 173.6378 135 N 4.8432 8.3807 117.3684 53.3700 39.4256 174.7448 136 I 3.8005 7.7777 118.4151 61.8436 36.5369 178.8911 137 K 5.1696 8.8145 126.9419 52.9488 33.7274 175.0800 138 G 4.3937 8.9772 121.2549 46.9758 0.0000 174.1783 139 D 4.8810 8.9262 121.6561 53.4032 43.6343 172.7455 140 K 5.0365 8.1330 117.5296 55.2500 34.2415 173.6151 141 I 4.6339 8.2267 126.6090 59.9843 38.6730 174.5808 142 T 4.8583 8.6765 118.2199 60.4859 71.6705 173.4502 143 Y 4.6783 8.1873 126.9273 57.0787 42.7280 173.8864 144 L 4.6868 7.8622 131.2639 53.7718 42.5815 175.0150 145 V 3.9745 8.6076 125.6729 63.5014 31.8772 175.4002 146 K 4.2898 7.9904 120.7325 57.0779 31.8947 180.0852 147 E 4.0479 8.0828 116.6435 57.2140 30.1391 176.0555 148 Q 3.2377 7.7555 119.8822 57.5447 27.0596 172.9693 149 K 4.7170 6.9457 119.4334 53.9224 37.0070 177.8394 150 M 4.8684 8.2056 117.7747 54.6806 36.2930 174.3204 151 Q 4.6072 8.9508 118.8998 54.3748 33.7614 173.8756 152 A 5.0571 7.5184 120.2035 50.1194 22.2352 175.3572 153 F 5.1430 8.4964 116.6372 56.1522 43.9330 173.7505 154 S 4.7561 8.5633 113.7803 57.0331 66.6531 172.7674 155 D 4.7190 8.7961 123.9307 53.7029 41.7696 176.3348 156 K 4.3595 8.6565 125.5726 54.4511 30.2454 174.7556 157 G 4.5189 7.8184 125.4893 46.1838 0.0000 171.6568 158 K 4.6469 7.7725 122.2182 52.8587 34.7227 177.5201 159 R 4.8925 7.9055 114.0086 53.7547 33.3412 175.2539 160 V 3.9151 8.3143 118.3246 63.8364 32.3719 175.2464 161 T 4.7023 8.2436 124.4791 62.1221 70.9646 173.5419 162 T 4.9422 8.4898 121.9004 61.8577 72.0606 173.6502 163 V 4.5721 8.5595 118.0307 59.5183 35.0345 175.5167 164 L 4.5155 8.5253 123.1470 54.1604 42.9156 177.8896 165 V 3.7211 7.8709 121.5815 61.3182 31.5237 176.9529 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 28 V 8.01 3.98 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 0.71 0.00 0.00 0.93 0.00 0.00 *29 T 8.96 3.73 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 30 G 10.06 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 0.00 0.00 0.00 31 D 8.52 4.38 0.00 2.78 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 32 T 7.88 4.31 4.38 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 1.33 0.00 0.00 33 D 7.80 4.63 0.00 2.85 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 34 Q 7.93 4.17 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.65 2.48 0.00 35 P 0.00 4.39 0.00 2.12 2.01 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 36 I 7.81 4.29 1.80 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 1.22 0.37 0.75 0.00 0.00 37 H 8.58 4.53 0.00 3.04 3.21 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.61 4.15 1.39 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.49 -0.34 0.00 0.00 39 E 8.46 4.83 0.00 1.98 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 2.16 2.50 0.00 40 S 8.56 4.52 0.00 4.30 3.88 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 41 D 9.09 4.91 0.00 2.77 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 42 Q 7.92 4.83 0.00 1.68 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.77 0.00 0.00 0.00 0.00 0.00 2.25 1.90 0.00 43 Q 8.72 4.92 0.00 1.31 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.16 0.00 44 S 7.98 4.37 0.00 3.77 3.80 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 45 L 8.17 4.14 0.00 1.65 1.56 0.92 1.08 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 46 D 8.22 4.78 0.00 2.62 2.64 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 0.00 0.00 0.00 0.00 47 M 8.44 4.64 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 *50 N 8.23 4.55 0.00 3.02 2.85 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 51 V 7.84 4.62 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 0.78 0.00 0.00 0.93 0.00 0.00 52 V 8.02 4.42 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 0.36 0.00 0.00 0.94 0.00 0.00 53 T 8.16 4.99 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 1.23 0.00 0.00 54 F 9.32 5.24 0.00 2.95 2.90 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 55 T 8.86 4.91 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 1.25 0.00 0.00 56 G 8.81 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 57 N 8.61 4.12 0.00 2.86 2.88 0.00 0.00 7.18 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 58 V 7.32 4.00 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 0.91 0.00 0.00 1.04 0.00 0.00 59 I 8.91 4.58 1.82 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 1.24 1.15 0.84 0.00 0.00 60 V 8.44 4.45 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 0.68 0.00 0.00 0.72 0.00 0.00 61 T 8.05 4.87 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 1.12 0.00 0.00 62 Q 8.94 4.02 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.63 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 63 G 9.66 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 0.00 0.00 0.00 64 T 8.50 4.63 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 1.24 0.00 0.00 65 I 7.69 4.03 1.89 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 1.06 1.01 0.76 0.00 0.00 66 K 8.48 4.85 0.00 1.67 1.48 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.29 7.81 67 I 8.55 4.36 1.82 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.32 0.95 0.00 0.00 68 N 8.82 5.34 0.00 2.68 2.71 0.00 0.00 6.30 7.86 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 69 A 8.43 4.80 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 70 D 9.38 4.77 0.00 2.83 2.74 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 71 K 7.79 5.61 0.00 1.48 1.54 0.00 1.70 0.00 0.00 2.29 0.00 0.00 2.82 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.26 0.85 7.81 72 V 8.18 4.31 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 0.94 0.00 0.00 0.91 0.00 0.00 73 V 9.05 5.18 2.24 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 1.06 0.00 0.00 1.09 0.00 0.00 74 V 9.04 5.12 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 1.13 0.00 0.00 1.08 0.00 0.00 75 T 8.14 4.90 4.29 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 1.28 0.00 0.00 76 R 8.28 4.45 0.00 1.81 1.84 0.00 3.29 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 *77 P 0.00 4.26 0.00 1.90 1.86 0.00 3.74 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 1.87 2.12 0.00 *83 K 8.39 4.39 0.00 1.79 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 84 E 7.86 4.92 0.00 1.65 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 2.31 1.72 0.00 85 V 8.30 4.74 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 1.08 0.00 0.00 1.04 0.00 0.00 86 I 8.78 4.64 1.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.41 0.80 0.00 0.00 87 D 8.63 5.36 0.00 2.72 2.34 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 88 G 8.42 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 89 Y 8.86 5.08 0.00 2.89 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 90 G 7.08 4.54 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 0.00 0.00 0.00 91 K 8.06 4.92 0.00 1.51 1.60 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 0.96 7.81 92 P 0.00 5.28 0.00 2.10 2.08 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.73 0.00 93 A 8.92 4.77 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 94 T 8.56 4.56 4.32 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 1.26 0.00 0.00 95 F 8.81 5.21 0.00 2.97 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 96 Y 7.09 5.31 0.00 3.16 2.59 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 0.00 0.00 0.00 0.00 97 Q 6.89 4.64 0.00 1.83 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 98 M 8.00 4.36 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 99 Q 8.20 4.35 0.00 2.40 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 100 D 8.60 4.34 0.00 2.66 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 0.00 101 N 8.18 4.66 0.00 2.79 2.89 0.00 0.00 6.17 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 0.00 102 G 8.09 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 0.00 103 K 7.29 4.28 0.00 1.82 1.72 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.34 1.27 7.81 104 P 0.00 4.56 0.00 1.99 1.85 0.00 3.56 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 2.06 2.10 0.00 105 V 7.75 4.28 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 1.05 0.00 0.00 0.94 0.00 0.00 106 E 8.38 4.80 0.00 1.71 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 2.28 2.42 0.00 107 G 8.05 4.52 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 0.00 108 H 7.78 5.18 0.00 3.22 3.46 0.00 5.62 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 0.00 109 A 7.89 4.80 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.37 4.54 0.00 3.45 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 0.00 111 Q 8.68 4.33 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 7.25 0.00 0.00 0.00 0.00 0.00 2.28 1.80 0.00 112 M 7.80 4.91 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 113 H 9.06 4.80 0.00 3.30 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 Y 9.25 5.05 0.00 3.06 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 0.00 115 E 9.08 4.92 0.00 2.02 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 2.23 2.11 0.00 116 L 8.62 4.44 0.00 1.98 1.81 1.05 1.18 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 0.00 117 A 8.38 4.21 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 0.00 118 K 7.46 4.68 0.00 1.72 1.61 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 1.00 7.81 119 D 8.26 4.50 0.00 2.91 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 0.00 120 F 8.10 4.83 0.00 3.02 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 0.00 121 V 8.32 4.72 1.64 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 0.57 0.00 0.00 0.48 0.00 0.00 122 V 8.45 4.67 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 0.95 0.00 0.00 1.16 0.00 0.00 123 L 8.83 4.70 0.00 1.55 1.52 0.84 0.78 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 0.00 124 T 8.31 4.70 4.28 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 1.25 0.00 0.00 125 G 9.44 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 0.00 126 N 8.70 4.15 0.00 2.83 2.69 0.00 0.00 6.85 7.46 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 0.00 127 A 7.47 4.90 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 0.00 128 Y 8.21 4.98 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 0.00 129 L 8.02 4.75 0.00 1.59 1.48 0.92 0.78 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 0.00 130 Q 7.22 3.88 0.00 1.23 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 131 Q 8.27 4.70 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 132 V 7.91 3.65 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 0.80 0.00 0.00 0.94 0.00 0.00 133 D 9.05 4.46 0.00 2.80 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 0.00 134 S 7.84 4.44 0.00 3.89 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 0.00 135 N 8.38 4.84 0.00 2.66 2.88 0.00 0.00 6.77 7.94 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 0.00 136 I 7.78 3.80 1.87 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 1.20 0.56 0.91 0.00 0.00 137 K 8.81 5.17 0.00 1.41 1.67 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.27 7.81 138 G 8.98 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.88 0.00 2.32 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 0.00 140 K 8.13 5.04 0.00 1.89 1.94 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.33 7.81 141 I 8.23 4.63 1.80 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 1.37 0.54 0.88 0.00 0.00 142 T 8.68 4.86 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 1.51 0.00 0.00 143 Y 8.19 4.68 0.00 2.70 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.69 0.00 1.38 1.53 0.92 0.79 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 0.00 145 V 8.61 3.97 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 0.00 146 K 7.99 4.29 0.00 1.77 1.75 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.03 7.81 147 E 8.08 4.05 0.00 1.87 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 2.29 2.33 0.00 148 Q 7.76 3.24 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 149 K 6.95 4.72 0.00 1.42 1.58 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.01 7.81 150 M 8.21 4.87 0.00 1.72 1.80 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 151 Q 8.95 4.61 0.00 1.91 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.69 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 152 A 7.52 5.06 1.03 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 0.00 0.00 153 F 8.50 5.14 0.00 2.95 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 0.00 154 S 8.56 4.76 0.00 3.98 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 0.00 155 D 8.80 4.72 0.00 2.78 2.63 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 0.00 156 K 8.66 4.36 0.00 1.77 1.67 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.03 7.81 157 G 7.82 4.52 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 0.00 158 K 7.77 4.65 0.00 1.71 1.57 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.21 7.81 159 R 7.91 4.89 0.00 1.76 1.66 0.00 3.13 0.00 0.00 3.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.11 0.00 160 V 8.31 3.92 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 0.90 0.00 0.00 0.92 0.00 0.00 161 T 8.24 4.70 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 0.00 162 T 8.49 4.94 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 0.00 163 V 8.56 4.57 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 0.73 0.00 0.00 0.95 0.00 0.00 164 L 8.53 4.52 0.00 1.58 1.63 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 165 V 7.87 3.72 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 0.67 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.