NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5032 8.3049 120.3507 55.4720 33.4184 174.4680 2 K 4.2690 8.2973 122.3436 54.8804 36.1405 173.8079 3 T 4.3018 8.1566 118.4607 62.5200 72.1986 173.7840 4 Y 4.6168 8.1204 114.6874 58.5333 42.7864 175.5760 5 V 3.6556 7.9664 120.6281 62.8252 31.9896 173.0167 6 P 4.7619 0.0000 0.0000 60.7903 32.6113 175.8909 7 K 4.3436 8.3592 122.6529 55.1886 33.2318 176.4556 8 Q 4.0663 8.4763 118.5306 56.8999 28.8953 177.0132 9 V 4.4837 8.0007 120.6017 60.5265 34.8468 174.3414 10 E 4.0205 8.8565 127.0767 55.8858 29.9650 174.2806 11 P 4.7219 0.0000 0.0000 61.6690 32.5374 175.5114 12 R 4.2694 8.6296 124.5197 56.0149 31.2236 176.1930 13 W 5.1330 9.1225 126.5511 56.8026 30.8628 175.3926 14 V 4.5802 8.1972 117.1395 60.9942 34.1105 172.3085 15 L 5.3189 8.4487 123.8543 53.4731 45.6568 174.8004 16 I 4.8650 8.9895 125.9922 59.5296 41.4992 172.8553 17 D 5.3086 8.9650 129.2364 52.2047 42.5698 175.9589 18 A 4.7850 8.2550 131.2693 51.4415 19.9661 177.6797 19 E 3.8455 9.3205 124.0518 60.9805 29.8286 178.8005 20 G 3.6968 8.0901 105.9069 47.9683 0.0000 173.6246 21 K 4.4310 8.7194 120.2064 55.4788 34.6522 176.7423 22 T 5.2638 8.5592 118.7106 61.9931 69.3143 174.3238 23 L 3.8227 8.6468 127.5827 57.2460 40.2690 175.5485 24 G 4.0492 9.7024 115.7293 46.3663 0.0000 175.9458 25 R 3.9080 7.9612 120.2986 58.2593 30.5630 178.8282 26 L 4.0359 8.5945 120.0873 58.1155 42.1877 178.4566 27 A 3.9483 8.1293 120.3645 55.7751 18.0912 179.1741 28 T 3.8118 8.2265 114.2279 66.9616 68.5407 176.6046 29 K 3.8737 7.9464 119.7006 59.7394 32.1888 179.1313 30 I 3.5752 7.9071 119.1417 64.6646 37.0212 177.9393 31 A 3.8903 8.1106 121.1053 55.4309 18.0812 179.4738 32 T 3.7840 7.8838 113.3277 66.9990 68.8563 176.1662 33 L 3.8898 8.5055 120.7120 58.0883 41.4998 178.9306 34 L 3.8847 8.2617 119.0758 57.3442 41.7387 177.8917 35 R 4.2265 7.7645 114.8577 56.2393 30.2984 177.7289 36 G 4.4250 9.2247 105.8366 46.1565 0.0000 175.6594 37 K 3.1596 8.2911 124.4322 59.0668 32.1949 177.9506 38 H 4.2463 8.3692 113.1032 58.1117 28.6520 175.8218 39 R 3.9475 7.8205 121.5638 55.4981 30.1217 174.0666 40 P 4.6958 0.0000 0.0000 63.3134 31.7767 175.7474 41 D 4.9545 7.8420 118.3568 54.2586 41.4149 176.0563 42 W 4.8119 7.9240 127.6385 56.7000 32.3125 175.0740 43 T 3.8908 6.4642 114.3892 62.2553 71.5863 172.5598 44 P 3.4796 0.0000 0.0000 62.9560 32.2045 176.3905 45 N 4.4690 7.6506 116.4214 54.8183 38.1148 176.7602 46 V 3.4833 6.9769 117.5612 62.2929 32.4220 175.4971 47 A 3.3614 7.5951 120.5503 52.8613 14.7826 174.9813 48 M 4.7356 7.1591 119.2039 52.3024 34.4975 176.1104 49 G 4.3294 8.8073 103.9974 45.2734 0.0000 173.2830 50 D 5.0617 7.8082 118.3504 53.9171 41.3635 176.5837 51 F 3.8166 8.7529 120.9054 57.0328 40.1152 174.4233 52 V 4.4069 8.1181 124.8688 61.1459 33.4032 174.5661 53 V 5.2147 8.5458 128.7092 60.6369 33.3119 174.2664 54 V 5.1877 8.2459 128.7031 61.5275 33.0300 175.5117 55 V 4.3661 8.1546 127.5508 61.4042 34.0019 175.6575 56 N 4.1230 8.3314 115.1698 54.4701 35.6218 175.5053 57 A 4.2170 8.2278 127.5697 52.1390 19.0283 177.0879 58 D 3.8580 9.6255 111.9035 55.2212 40.1504 173.5698 59 K 3.8892 8.5966 113.3510 57.1434 29.9625 175.0351 60 I 4.0745 7.6082 119.9057 60.9910 37.5933 176.3705 61 R 4.3463 9.6040 128.1172 56.1586 31.2485 176.0980 62 V 4.4124 8.1163 121.5386 61.1180 34.0343 174.0490 63 T 3.9212 9.1200 114.6771 63.4327 69.1132 179.8421 64 G 4.0089 8.2692 114.3471 44.8072 0.0000 174.5568 65 K 4.3231 8.2784 115.2536 55.3621 30.8802 176.5414 66 K 4.2746 7.7495 118.4450 56.6668 32.9330 176.3178 67 L 3.9767 7.6916 119.9634 55.8844 39.9697 176.0518 68 E 3.8762 8.6051 121.9215 57.3419 26.9303 175.6183 69 Q 4.3230 7.6812 118.3707 56.4435 31.3489 175.7440 70 K 4.0030 7.8445 119.4050 56.2096 32.8686 175.7220 71 I 4.3392 7.9900 129.0126 59.6133 38.2467 176.5863 72 Y 4.3288 8.4778 128.8509 61.3248 35.7636 177.5243 73 T 3.4938 7.9181 116.4258 64.6384 70.1067 177.4978 74 R 3.3592 8.0691 117.2673 58.5234 30.2063 176.8745 75 Y 4.3662 10.1483 118.9503 56.4933 37.1088 175.0627 76 S 4.4273 8.5051 120.4141 57.0165 62.4015 173.8691 77 G 3.6748 8.5111 119.3939 45.9386 0.0000 174.1987 78 Y 5.8497 6.9445 132.8859 56.3827 36.8808 171.4814 79 P 4.7741 0.0000 0.0000 62.1436 33.3704 175.8409 80 G 4.8401 7.6057 116.6387 45.6638 0.0000 172.2023 81 G 4.0376 7.5609 110.4779 43.9038 0.0000 173.7137 82 L 4.2325 8.3440 124.5523 56.0646 41.0513 177.8606 83 K 3.9174 7.2162 114.2380 57.0642 29.4549 172.7506 84 K 4.6369 8.1842 129.0114 54.6665 34.3857 176.3939 85 I 4.5648 8.0529 124.2611 58.5009 40.4904 173.0098 86 P 4.6552 0.0000 0.0000 63.0608 31.9076 177.0155 87 L 4.1733 9.1594 123.7956 59.0971 42.0097 179.4899 88 E 3.9069 8.0766 117.8430 59.4964 29.5004 179.5275 89 K 3.8965 8.0539 117.7504 60.0487 32.2370 179.2625 90 M 4.1230 8.0523 119.5010 58.2548 31.6603 179.0509 91 L 3.9619 7.5106 117.7304 57.8344 42.0635 178.7591 92 A 4.2448 7.7460 119.2578 53.4985 18.7063 177.4500 93 T 4.1638 8.1970 112.9675 61.8064 69.0352 173.1512 94 H 4.8915 8.6887 117.2656 56.1193 26.6372 172.0851 95 P 5.1267 0.0000 0.0000 63.7054 32.3414 178.5848 96 E 3.9761 8.2239 117.5465 59.1132 29.7347 179.5260 97 R 3.8463 7.9847 119.5890 59.2713 30.0251 178.5634 98 V 3.3962 7.7660 117.6586 66.1181 31.3118 177.6574 99 L 3.9193 7.8255 119.0491 58.2779 42.1235 178.0798 100 E 3.9383 7.7382 118.4006 59.9893 29.3587 178.9061 101 H 4.0867 9.0046 116.6747 59.2384 28.6517 177.5000 102 A 4.0847 7.6552 120.4605 55.1769 18.5155 179.5058 103 V 3.6755 8.5630 117.2461 65.9832 31.5621 177.6305 104 K 4.2387 8.9586 119.8968 60.0300 31.7225 178.4146 105 G 3.9982 7.6995 100.7390 45.7161 0.0000 173.4274 106 M 4.7296 8.1503 118.4113 54.5143 33.6136 175.9182 107 L 4.4620 8.2779 119.9581 52.8159 43.0956 175.0851 108 P 4.4852 0.0000 0.0000 62.4480 31.8283 177.6550 109 K 3.9773 8.5676 119.0724 59.2964 33.0114 177.9590 110 G 3.9097 7.7582 106.8269 43.2870 0.0000 172.0397 111 P 4.2803 0.0000 0.0000 65.4645 31.1067 178.1932 112 L 3.9608 7.9507 120.1818 57.9202 42.0906 178.5486 113 G 4.4749 8.0207 106.4506 47.4928 0.0000 174.9908 114 R 3.8957 8.0747 120.3800 59.2792 29.9481 178.7979 115 R 3.9109 7.8494 116.9867 59.6816 30.1014 178.3296 116 L 3.9623 8.2462 118.8688 57.8558 41.7762 178.8490 117 F 3.5821 8.4290 120.8168 61.6587 38.8835 177.3749 118 K 4.0798 7.9311 116.6884 59.4264 32.1505 178.8540 119 R 3.8365 8.5211 117.7417 56.1862 29.7281 175.4444 120 L 4.3802 6.8851 122.2510 53.8325 43.0322 176.0425 121 K 4.2108 9.4398 129.3648 54.6560 33.5455 174.0887 122 V 4.8314 7.6656 126.1962 61.3275 33.4792 174.3581 123 Y 4.7529 9.0267 123.7405 56.1223 42.5105 175.1071 124 A 4.9842 8.3252 125.0890 51.6556 16.5299 178.7593 125 G 3.9612 8.1217 110.7518 44.4307 0.0000 169.9534 126 P 4.5674 0.0000 0.0000 61.9267 31.5405 173.1197 127 D 4.0668 8.7690 124.8587 54.7854 39.9895 172.6477 128 H 3.9563 7.5650 118.2865 55.1309 29.3030 172.9653 129 P 4.2348 0.0000 0.0000 63.4785 29.8230 175.2036 130 H 4.7937 8.5498 111.2102 56.2618 32.7766 174.3256 131 Q 3.8168 8.3193 122.8189 55.4250 29.6704 175.6843 132 A 4.2433 7.9342 126.9730 52.8351 20.0745 176.6861 133 Q 4.2011 7.2105 115.6295 53.9732 29.2204 172.7294 134 R 4.5101 8.4964 117.6076 53.7654 29.6857 175.6117 135 P 4.7746 0.0000 0.0000 60.1460 30.0525 172.7352 136 E 4.1014 8.3878 125.4270 57.8175 30.3848 175.4357 137 K 4.5815 9.7992 129.4402 54.7258 33.9049 175.3550 138 L 4.3599 8.5607 129.8306 53.9572 42.9879 177.0343 *139 E 4.1515 8.6986 118.6020 56.1600 30.3597 172.2448 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 1 M 8.30 4.50 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.58 0.00 2 K 8.30 4.27 0.00 1.78 1.18 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.42 7.81 3 T 8.16 4.30 4.06 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 1.25 0.00 0.00 4 Y 8.12 4.62 0.00 2.92 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 5 V 7.97 3.66 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 0.81 0.00 0.00 0.99 0.00 0.00 6 P 0.00 4.76 0.00 2.08 1.98 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.12 0.00 7 K 8.36 4.34 0.00 1.76 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.47 7.81 8 Q 8.48 4.07 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 9 V 8.00 4.48 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 0.83 0.00 0.00 0.98 0.00 0.00 10 E 8.86 4.02 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 11 P 0.00 4.72 0.00 2.78 2.41 0.00 3.92 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 12 R 8.63 4.27 0.00 2.03 1.97 0.00 3.24 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 13 W 9.12 5.13 0.00 3.19 3.35 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 14 V 8.20 4.58 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 0.66 0.00 0.00 1.02 0.00 0.00 15 L 8.45 5.32 0.00 1.74 1.55 0.98 0.90 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 16 I 8.99 4.87 1.88 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 1.12 1.34 0.97 0.00 0.00 17 D 8.96 5.31 0.00 2.75 2.58 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 18 A 8.25 4.78 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 19 E 9.32 3.85 0.00 1.91 2.38 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 2.35 2.32 0.00 20 G 8.09 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 0.00 0.00 0.00 21 K 8.72 4.43 0.00 1.71 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.56 7.81 22 T 8.56 5.26 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 1.28 0.00 0.00 23 L 8.65 3.82 0.00 1.68 1.76 1.06 0.56 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 24 G 9.70 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 0.00 0.00 0.00 25 R 7.96 3.91 0.00 1.94 2.01 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 1.64 1.64 0.00 26 L 8.59 4.04 0.00 1.70 1.81 0.92 1.22 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 27 A 8.13 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 28 T 8.23 3.81 4.49 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 0.00 0.00 0.00 1.19 0.00 0.00 29 K 7.95 3.87 0.00 1.86 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.79 7.81 30 I 7.91 3.58 2.03 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 1.53 0.48 0.83 0.00 0.00 31 A 8.11 3.89 1.38 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 0.00 0.00 32 T 7.88 3.78 4.35 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 1.14 0.00 0.00 33 L 8.51 3.89 0.00 1.82 1.63 0.56 0.83 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 34 L 8.26 3.88 0.00 1.68 1.64 0.70 0.87 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 35 R 7.76 4.23 0.00 2.55 2.51 0.00 2.87 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 36 G 9.22 4.42 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 0.00 37 K 8.29 3.16 0.00 1.14 1.85 0.00 1.14 0.00 0.00 1.25 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.20 1.24 7.81 38 H 8.37 4.25 0.00 3.31 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.82 3.95 0.00 1.63 2.15 0.00 3.26 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 40 P 0.00 4.70 0.00 2.24 2.14 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 41 D 7.84 4.95 0.00 2.72 2.76 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 42 W 7.92 4.81 0.00 3.53 3.08 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 43 T 6.46 3.89 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 1.10 0.00 0.00 44 P 0.00 3.48 0.00 2.07 2.14 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 45 N 7.65 4.47 0.00 2.75 2.89 0.00 0.00 6.13 7.68 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 46 V 6.98 3.48 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 0.53 0.00 0.00 0.87 0.00 0.00 47 A 7.60 3.36 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 48 M 7.16 4.74 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 49 G 8.81 4.33 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 0.00 50 D 7.81 5.06 0.00 2.59 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 51 F 8.75 3.82 0.00 1.51 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 52 V 8.12 4.41 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 0.86 0.00 0.00 0.87 0.00 0.00 53 V 8.55 5.21 2.30 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 1.27 0.00 0.00 1.25 0.00 0.00 54 V 8.25 5.19 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 1.14 0.00 0.00 0.91 0.00 0.00 55 V 8.15 4.37 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 0.92 0.00 0.00 1.04 0.00 0.00 56 N 8.33 4.12 0.00 2.86 3.05 0.00 0.00 6.80 7.35 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 57 A 8.23 4.22 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 58 D 9.63 3.86 0.00 2.92 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 59 K 8.60 3.89 0.00 1.89 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.45 7.81 60 I 7.61 4.07 1.90 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 1.38 0.47 0.99 0.00 0.00 61 R 9.60 4.35 0.00 1.69 1.85 0.00 3.24 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 62 V 8.12 4.41 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 0.78 0.00 0.00 0.95 0.00 0.00 63 T 9.12 3.92 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 64 G 8.27 4.01 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 0.00 0.00 0.00 65 K 8.28 4.32 0.00 1.75 1.77 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 66 K 7.75 4.27 0.00 1.79 1.80 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.39 7.81 67 L 7.69 3.98 0.00 1.63 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.61 3.88 0.00 2.12 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 2.20 2.49 0.00 69 Q 7.68 4.32 0.00 2.34 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 70 K 7.84 4.00 0.00 1.78 1.62 0.00 1.20 0.00 0.00 1.62 0.00 0.00 2.35 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.28 0.85 7.81 71 I 7.99 4.34 1.79 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 1.46 0.93 0.92 0.00 0.00 72 Y 8.48 4.33 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 73 T 7.92 3.49 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 1.26 0.00 0.00 74 R 8.07 3.36 0.00 2.55 2.10 0.00 3.38 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 75 Y 10.15 4.37 0.00 2.82 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 76 S 8.51 4.43 0.00 3.87 3.81 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 77 G 8.51 3.67 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 0.00 0.00 0.00 78 Y 6.94 5.85 0.00 3.08 3.04 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 79 P 0.00 4.77 0.00 2.33 2.61 0.00 4.12 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 80 G 7.61 4.84 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 81 G 7.56 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 82 L 8.34 4.23 0.00 1.77 1.81 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.22 3.92 0.00 1.82 2.26 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.53 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.38 7.81 84 K 8.18 4.64 0.00 1.65 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 85 I 8.05 4.56 1.91 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.47 0.89 0.00 0.00 86 P 0.00 4.66 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 87 L 9.16 4.17 0.00 1.86 1.89 0.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.08 3.91 0.00 2.07 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 2.43 2.56 0.00 89 K 8.05 3.90 0.00 1.97 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.63 7.81 90 M 8.05 4.12 0.00 1.98 2.39 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 91 L 7.51 3.96 0.00 1.78 1.74 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.75 4.24 1.34 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 0.00 0.00 93 T 8.20 4.16 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 1.24 0.00 0.00 94 H 8.69 4.89 0.00 3.37 3.58 0.00 5.20 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 5.13 0.00 2.26 2.43 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 96 E 8.22 3.98 0.00 2.04 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 0.00 2.35 2.24 0.00 97 R 7.98 3.85 0.00 1.76 1.87 0.00 3.13 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.85 0.00 98 V 7.77 3.40 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 1.19 0.00 0.00 0.98 0.00 0.00 99 L 7.83 3.92 0.00 1.71 1.60 0.88 0.98 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 0.00 100 E 7.74 3.94 0.00 2.16 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 0.00 2.15 2.54 0.00 101 H 9.00 4.09 0.00 3.11 3.40 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.66 4.08 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 0.00 103 V 8.56 3.68 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 1.00 0.00 0.00 0.95 0.00 0.00 104 K 8.96 4.24 0.00 1.99 2.28 0.00 1.45 0.00 0.00 1.46 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.46 7.81 105 G 7.70 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.15 4.73 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 107 L 8.28 4.46 0.00 1.85 1.64 1.06 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.49 0.00 2.24 2.22 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 109 K 8.57 3.98 0.00 1.87 1.98 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.43 7.81 110 G 7.76 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.25 2.30 0.00 3.68 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 2.05 2.00 0.00 112 L 7.95 3.96 0.00 1.73 1.66 0.86 0.97 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 0.00 113 G 8.02 4.47 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 0.00 114 R 8.07 3.90 0.00 2.02 1.99 0.00 3.12 0.00 0.00 3.03 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 115 R 7.85 3.91 0.00 1.89 2.16 0.00 3.25 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 116 L 8.25 3.96 0.00 1.90 1.64 0.96 0.69 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 0.00 117 F 8.43 3.58 0.00 3.14 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 0.00 118 K 7.93 4.08 0.00 1.97 1.91 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.78 7.81 119 R 8.52 3.84 0.00 1.50 1.10 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.33 0.00 120 L 6.89 4.38 0.00 1.30 1.19 0.68 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.44 4.21 0.00 1.86 1.85 0.00 1.45 0.00 0.00 1.60 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.66 1.69 7.81 122 V 7.67 4.83 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 0.83 0.00 0.00 0.82 0.00 0.00 123 Y 9.03 4.75 0.00 2.94 2.78 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 0.00 124 A 8.33 4.98 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 0.00 125 G 8.12 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 0.00 126 P 0.00 4.57 0.00 2.18 2.09 0.00 3.93 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 1.98 1.98 0.00 127 D 8.77 4.07 0.00 2.77 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 0.00 128 H 7.56 3.96 0.00 2.66 3.09 0.00 5.49 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.23 0.00 2.16 2.02 0.00 3.64 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 130 H 8.55 4.79 0.00 3.31 3.48 0.00 5.55 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 0.00 131 Q 8.32 3.82 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.14 0.00 132 A 7.93 4.24 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 0.00 133 Q 7.21 4.20 0.00 1.82 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 134 R 8.50 4.51 0.00 2.05 2.15 0.00 2.73 0.00 0.00 2.99 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 135 P 0.00 4.77 0.00 2.13 2.16 0.00 3.55 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.23 0.00 136 E 8.39 4.10 0.00 2.03 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 2.33 2.37 0.00 137 K 9.80 4.58 0.00 1.81 1.79 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.45 7.81 138 L 8.56 4.36 0.00 1.68 1.59 0.93 0.97 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 *139 E 8.70 4.15 0.00 1.73 1.76 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.