NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3874 8.2929 115.2896 58.3996 64.5062 176.3716 3 E 3.8488 8.1566 119.2819 59.5021 29.3788 179.6009 4 S 4.4835 8.8524 116.4136 61.1236 63.6453 175.8119 5 N 4.2913 8.1020 119.6265 56.2021 38.3096 177.2708 6 R 3.8947 8.0678 119.3045 59.3707 30.1049 179.0758 7 Q 3.9622 8.2616 117.8690 59.0632 28.8435 178.9759 8 R 3.8571 8.2375 119.0723 59.3615 30.2552 179.0415 9 A 3.9069 7.9173 120.3610 55.3969 18.5014 179.8446 10 T 3.8843 8.2902 108.9885 64.8253 68.8085 176.9138 11 G 3.5747 8.3774 108.9733 47.2489 0.0000 175.4200 12 L 3.5485 7.5598 122.1086 57.8940 42.2008 179.3353 13 V 3.0547 7.2981 117.8243 65.7063 31.2890 177.5594 14 Q 4.0692 8.4751 119.5403 59.3808 28.7776 178.3855 15 A 3.9785 7.9066 121.6068 55.0539 18.2685 178.9341 16 Y 4.2550 7.6953 118.1647 61.3468 38.8778 178.1208 17 Y 4.3333 8.0174 117.4793 60.9174 38.1016 177.9323 18 E 4.0362 8.8216 119.9352 59.3588 29.4919 179.0692 19 A 3.9719 8.4496 121.1145 55.1914 18.3881 179.3725 20 F 4.0299 8.1359 118.9861 61.7040 39.2889 177.2058 21 N 4.3540 8.2291 114.5375 55.9187 38.3942 176.8966 22 R 4.0910 7.5645 117.3240 55.8901 30.3485 177.0134 23 G 2.4231 7.0341 106.5418 45.9202 0.0000 174.6352 24 D 4.2297 7.1766 121.2715 51.9421 39.4837 175.9183 25 W 4.6596 7.2208 122.5473 59.3702 30.1115 177.6567 26 D 4.4701 8.2869 117.8291 57.4212 40.2468 179.3093 27 A 3.5179 7.8911 120.1606 52.1988 17.8174 179.1658 *29 L 4.1550 8.0614 121.4633 56.3101 43.6264 179.4186 30 A 3.9586 7.5137 120.4625 54.5667 18.4221 178.1689 31 F 4.8166 7.5420 113.1047 58.1823 39.5703 175.2782 32 L 4.8144 7.3211 120.8664 52.8139 43.1447 176.4922 33 A 4.3102 8.6543 125.9487 51.6884 19.0388 178.6577 34 E 4.0654 8.6634 119.0785 58.8957 29.6728 177.8958 35 D 4.8277 7.9249 117.0343 52.8078 39.9751 176.5170 36 V 3.8820 7.6891 120.2508 62.7877 32.3481 174.5762 37 A 5.1156 8.9641 126.1732 50.4299 21.7088 174.8374 38 H 5.1619 9.2632 122.5506 54.5491 32.7742 172.3951 39 D 4.9497 8.9040 127.5114 52.5709 42.1825 176.2162 40 L 4.1235 8.2289 124.9041 53.8686 43.3779 176.7130 41 N 4.3640 8.6305 121.4905 55.0119 39.1347 174.7901 42 Q 3.6976 8.9447 123.2322 56.6208 26.6249 173.4304 43 G 3.9585 7.7625 107.0409 43.9730 0.0000 170.8844 44 P 4.6088 0.0000 0.0000 61.9863 33.5430 175.0260 45 R 4.7594 8.2751 120.4881 55.7322 31.1672 175.0994 46 E 4.7600 9.2861 125.1016 54.5760 32.9429 174.7169 47 I 4.7815 8.5073 124.6346 60.6518 39.5949 175.9676 48 G 4.0862 9.3412 113.3517 44.9993 0.0000 174.8989 49 R 4.0496 8.6250 117.8945 58.7107 29.9982 179.2351 50 A 4.0193 8.0941 120.1460 55.2622 18.3936 179.3352 51 A 3.9981 8.0538 118.7443 55.3249 18.4395 179.4927 52 F 3.9384 8.3151 118.7396 61.1914 39.4713 177.2146 53 A 4.1331 8.6564 120.9426 55.5647 18.2327 179.9089 54 S 4.4106 8.3395 114.9607 60.9202 62.5859 176.7940 55 F 4.0379 8.2661 123.2242 61.2516 39.2322 176.8589 56 L 3.8296 8.0111 117.4977 57.6720 41.1724 179.3148 57 Q 3.9810 7.9428 117.8429 58.8435 27.4066 180.1577 58 R 3.8288 7.9365 116.6537 56.8489 29.7482 178.0699 *60 N 4.9920 8.1289 119.2682 53.6243 40.5766 175.0351 61 D 4.5197 7.7754 116.1155 56.2003 41.6251 176.5658 62 S 4.6089 7.5333 113.6513 57.5239 66.0081 173.7558 63 Y 5.4366 7.8749 114.8966 56.0363 41.7415 174.9746 64 R 4.8533 9.2475 122.8310 54.7667 32.7187 174.3468 65 E 5.3428 8.9601 124.3338 54.8728 34.0151 174.7245 66 Q 4.9625 9.2656 121.1018 54.2392 32.6735 174.2654 67 L 5.1103 9.5588 123.8118 53.4795 43.2955 176.1297 68 R 4.6554 8.9387 121.9326 53.8919 34.4123 174.6979 69 D 4.5731 8.5665 116.0871 55.5171 38.3941 174.1038 70 I 4.4870 7.8261 119.0316 61.3558 38.1725 176.4964 71 V 4.3990 8.9689 127.2951 61.0122 34.3135 174.1199 72 V 5.0956 8.5942 127.7471 61.3059 33.6526 174.5903 73 T 4.9108 9.3130 117.0545 59.9743 72.2136 172.5556 74 A 5.3667 8.4089 123.4533 50.2065 22.9209 175.2832 75 N 4.7169 8.6944 117.0618 52.0960 38.8503 176.3194 76 D 4.4377 8.7103 119.1130 57.3173 41.0855 178.1053 77 E 3.9977 8.1957 117.4888 57.2400 29.6587 177.4234 78 G 3.9292 8.0978 106.4492 46.6174 0.0000 174.2252 79 T 4.7369 7.9787 109.7255 60.4579 71.2918 173.6958 80 R 5.1670 8.6667 123.0345 54.5784 33.7006 173.9910 81 V 4.9642 9.0986 124.9723 61.1265 35.4195 174.1862 82 G 4.4673 9.2423 113.5720 44.4404 0.0000 171.8353 83 A 5.3951 9.0052 123.7728 50.1318 23.0785 174.9531 84 E 4.8639 8.7644 119.3387 54.9821 34.1440 174.3168 85 Y 5.2831 7.4509 117.9424 57.5642 42.1699 172.7836 86 V 4.9058 8.9161 120.2767 61.0672 34.1582 174.7317 87 V 4.6806 8.9002 127.9193 61.3085 33.5888 174.6628 88 H 5.0325 9.4867 121.1569 54.1870 31.3977 173.2120 89 G 3.9623 8.6049 110.0746 44.2215 0.0000 170.8096 90 V 4.9882 8.6293 118.8867 61.2894 35.2251 173.6221 91 Y 5.4481 9.8074 130.5128 57.2916 38.6116 174.6780 92 H 4.6931 8.9319 123.0661 56.0127 30.5145 175.2264 93 T 4.4956 7.1340 115.2716 61.4719 72.3455 173.6313 94 T 3.9285 8.5737 122.7708 64.1394 69.3858 172.9337 95 D 4.8412 9.6275 126.8328 52.4188 43.6962 174.9797 96 E 4.0633 8.8734 121.8371 59.3592 29.3041 175.7452 97 G 4.0097 9.3988 115.2540 44.7889 0.0000 172.1844 98 L 4.8349 7.6358 118.7019 50.9484 44.1456 178.7314 99 P 4.5137 0.0000 0.0000 64.3513 31.7301 177.0517 100 D 4.4611 8.4664 118.3662 53.2577 40.2618 176.6510 101 A 3.5713 8.2617 129.0541 51.9754 18.9408 178.4004 102 N 4.8319 9.6405 118.0645 52.4137 39.7548 173.6389 103 G 4.0240 8.4448 106.0619 46.4442 0.0000 174.3230 104 Q 4.3466 8.0818 118.7723 56.0049 29.7408 175.7085 105 T 5.1019 8.5330 113.4968 61.0404 70.9780 173.4418 106 Y 5.2055 8.3934 120.0465 55.8941 42.0275 174.1542 107 V 4.9535 9.0940 121.4592 61.6993 34.2949 174.1185 108 L 4.6543 8.6963 126.7210 54.0722 43.9099 173.0606 109 P 4.8948 0.0000 0.0000 63.0481 32.5326 175.4198 110 G 4.1659 8.6831 108.4111 45.4176 0.0000 171.3481 111 G 4.3975 8.9129 105.4347 45.1804 0.0000 171.8377 112 A 5.1973 9.0633 121.1209 50.5399 23.2335 175.2894 113 F 5.3880 8.8749 117.5367 55.7725 43.0385 174.6445 114 F 5.9210 9.4147 119.3782 54.9234 43.4702 173.4013 115 D 5.4433 8.7465 121.3250 52.9619 42.7579 175.4456 116 V 4.8292 8.7095 122.4286 61.0752 34.9528 174.5155 117 R 4.4779 8.7565 127.1987 55.3324 31.9323 174.5285 118 D 4.1949 9.8089 127.1544 55.5919 38.3742 174.8688 119 G 3.9306 8.5633 103.0920 45.7286 0.0000 173.6460 120 Q 4.7719 7.8639 117.7694 53.5048 32.1970 174.6578 121 I 4.4871 8.6492 123.3264 61.6035 37.8968 176.4794 122 T 4.5553 9.1735 116.9524 61.6128 70.7845 173.9395 123 R 5.0311 7.6896 122.4057 55.2149 34.0625 173.4768 124 V 3.9867 8.9454 125.8645 61.4278 34.3806 174.3708 125 T 4.5285 8.5148 126.5054 61.8543 70.3941 172.8721 126 N 5.1812 8.2158 125.8880 52.1308 40.6566 173.7823 127 Y 5.5494 9.0730 122.7798 55.6876 42.3663 173.8566 128 Y 4.9529 8.0920 118.6851 55.5021 41.2364 174.2930 129 N 4.6016 8.7891 118.0213 52.5338 38.6968 174.6707 130 L 4.2280 8.1649 130.2299 58.0171 42.4023 178.2997 131 Q 4.0320 8.1777 117.6330 59.0226 28.6815 178.3318 132 E 3.9697 8.8437 120.4036 58.9671 29.6032 178.5802 133 W 4.0547 8.4273 128.2962 60.6962 30.9307 177.9354 134 I 3.3425 8.3190 119.7808 64.2357 36.2632 178.3393 135 A 3.9669 7.7937 120.7407 55.0761 18.5815 179.4776 136 Q 4.0458 8.1034 116.5729 59.3028 28.6980 179.4032 137 V 3.6950 7.3070 111.2000 63.1600 31.5379 177.6550 138 S 4.6197 7.2582 113.1859 57.9673 63.2102 174.1991 139 R 4.0886 7.6443 123.8259 56.3865 29.2925 176.3433 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 2 S 8.29 4.39 0.00 3.87 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 3 E 8.16 3.85 0.00 2.09 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 2.32 2.00 0.00 4 S 8.85 4.48 0.00 4.03 4.14 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 5 N 8.10 4.29 0.00 3.03 2.94 0.00 0.00 7.16 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 6 R 8.07 3.89 0.00 2.03 1.98 0.00 3.36 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 7 Q 8.26 3.96 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 8 R 8.24 3.86 0.00 2.03 1.96 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 9 A 7.92 3.91 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 10 T 8.29 3.88 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 1.25 0.00 0.00 11 G 8.38 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.56 3.55 0.00 1.72 1.64 0.63 0.73 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 13 V 7.30 3.05 1.73 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 0.28 0.00 0.00 0.05 0.00 0.00 14 Q 8.48 4.07 0.00 2.23 2.23 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 2.37 2.46 0.00 15 A 7.91 3.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.70 4.25 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 17 Y 8.02 4.33 0.00 3.29 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 18 E 8.82 4.04 0.00 2.16 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 2.64 2.52 0.00 19 A 8.45 3.97 1.53 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 20 F 8.14 4.03 0.00 3.14 3.33 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 21 N 8.23 4.35 0.00 2.93 2.96 0.00 0.00 7.13 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 22 R 7.56 4.09 0.00 1.77 1.79 0.00 3.20 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 23 G 7.03 2.42 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 24 D 7.18 4.23 0.00 2.40 2.51 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 25 W 7.22 4.66 0.00 3.33 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.47 0.00 2.66 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 27 A 7.89 3.52 1.23 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 0.00 0.00 0.00 *29 L 8.06 4.16 0.00 1.88 1.77 1.06 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.51 3.96 1.07 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 0.00 0.00 0.00 0.00 0.00 31 F 7.54 4.82 0.00 3.17 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 32 L 7.32 4.81 0.00 1.66 1.44 -0.09 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.65 4.31 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 34 E 8.66 4.07 0.00 1.98 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 2.32 2.25 0.00 35 D 7.92 4.83 0.00 2.78 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 36 V 7.69 3.88 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 0.84 0.00 0.00 0.91 0.00 0.00 37 A 8.96 5.12 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 38 H 9.26 5.16 0.00 3.24 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.90 4.95 0.00 2.39 2.41 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 40 L 8.23 4.12 0.00 1.66 1.47 0.40 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.63 4.36 0.00 2.71 2.25 0.00 0.00 7.17 6.68 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 42 Q 8.94 3.70 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.48 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 43 G 7.76 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 44 P 0.00 4.61 0.00 2.08 2.16 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.93 0.00 45 R 8.28 4.76 0.00 1.94 1.81 0.00 3.15 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 46 E 9.29 4.76 0.00 1.77 1.77 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 2.17 2.14 0.00 47 I 8.51 4.78 1.89 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 1.28 0.57 0.98 0.00 0.00 48 G 9.34 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 49 R 8.63 4.05 0.00 1.90 2.02 0.00 3.29 0.00 0.00 3.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 50 A 8.09 4.02 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 51 A 8.05 4.00 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 52 F 8.32 3.94 0.00 3.33 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 53 A 8.66 4.13 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 54 S 8.34 4.41 0.00 4.04 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 55 F 8.27 4.04 0.00 3.06 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 56 L 8.01 3.83 0.00 1.62 0.96 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.94 3.98 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 58 R 7.94 3.83 0.00 1.72 1.83 0.00 3.13 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.84 0.00 *60 N 8.13 4.99 0.00 2.42 2.87 0.00 0.00 7.12 8.47 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 61 D 7.78 4.52 0.00 2.78 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 62 S 7.53 4.61 0.00 3.32 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 63 Y 7.87 5.44 0.00 2.92 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 64 R 9.25 4.85 0.00 2.06 1.87 0.00 3.06 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 65 E 8.96 5.34 0.00 2.26 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 0.00 2.39 2.59 0.00 66 Q 9.27 4.96 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 67 L 9.56 5.11 0.00 1.40 1.32 0.22 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.94 4.66 0.00 1.74 1.82 0.00 3.42 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 69 D 8.57 4.57 0.00 2.88 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 70 I 7.83 4.49 1.88 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 1.07 0.45 0.87 0.00 0.00 71 V 8.97 4.40 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 0.95 0.00 0.00 0.94 0.00 0.00 72 V 8.59 5.10 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 0.88 0.00 0.00 1.03 0.00 0.00 73 T 9.31 4.91 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 1.23 0.00 0.00 74 A 8.41 5.37 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.69 4.72 0.00 2.83 3.00 0.00 0.00 7.32 8.12 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 76 D 8.71 4.44 0.00 2.70 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 77 E 8.20 4.00 0.00 1.95 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 0.00 2.32 2.37 0.00 78 G 8.10 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 0.00 0.00 0.00 79 T 7.98 4.74 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 1.28 0.00 0.00 80 R 8.67 5.17 0.00 1.96 1.82 0.00 3.17 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 81 V 9.10 4.96 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 0.97 0.00 0.00 0.89 0.00 0.00 82 G 9.24 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 83 A 9.01 5.40 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 84 E 8.76 4.86 0.00 1.81 1.65 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 2.03 2.11 0.00 85 Y 7.45 5.28 0.00 3.04 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 86 V 8.92 4.91 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 1.03 0.00 0.00 0.97 0.00 0.00 87 V 8.90 4.68 2.18 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 0.88 0.00 0.00 1.05 0.00 0.00 88 H 9.49 5.03 0.00 3.02 3.22 0.00 5.56 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 89 G 8.60 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 90 V 8.63 4.99 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 1.11 0.00 0.00 0.94 0.00 0.00 91 Y 9.81 5.45 0.00 3.41 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 92 H 8.93 4.69 0.00 3.09 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.13 4.50 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 1.16 0.00 0.00 94 T 8.57 3.93 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 1.33 0.00 0.00 95 D 9.63 4.84 0.00 2.78 2.68 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 0.00 0.00 0.00 0.00 96 E 8.87 4.06 0.00 2.02 1.81 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 2.24 1.92 0.00 97 G 9.40 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 98 L 7.64 4.83 0.00 1.64 1.44 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.51 0.00 2.13 2.07 0.00 3.64 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 100 D 8.47 4.46 0.00 2.69 2.46 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 0.00 101 A 8.26 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 9.64 4.83 0.00 2.65 2.61 0.00 0.00 7.21 7.70 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 0.00 103 G 8.44 4.02 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 0.00 0.00 0.00 104 Q 8.08 4.35 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.66 2.47 0.00 105 T 8.53 5.10 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 1.24 0.00 0.00 106 Y 8.39 5.21 0.00 3.18 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 0.00 107 V 9.09 4.95 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 0.68 0.00 0.00 0.90 0.00 0.00 108 L 8.70 4.65 0.00 1.84 1.83 1.12 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.89 0.00 1.94 1.98 0.00 3.70 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 2.04 2.10 0.00 110 G 8.68 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 0.00 111 G 8.91 4.40 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 0.00 112 A 9.06 5.20 1.17 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 0.00 113 F 8.87 5.39 0.00 2.97 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 0.00 114 F 9.41 5.92 0.00 2.87 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 0.00 115 D 8.75 5.44 0.00 2.62 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 0.00 116 V 8.71 4.83 2.20 0.00 0.00 0.00 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 0.88 0.00 0.00 117 R 8.76 4.48 0.00 1.81 1.73 0.00 3.30 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 118 D 9.81 4.19 0.00 2.84 2.71 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 0.00 119 G 8.56 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 0.00 0.00 0.00 120 Q 7.86 4.77 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 121 I 8.65 4.49 1.87 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.97 0.00 0.00 122 T 9.17 4.56 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 1.21 0.00 0.00 123 R 7.69 5.03 0.00 1.87 1.90 0.00 3.08 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 124 V 8.95 3.99 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 0.74 0.00 0.00 0.87 0.00 0.00 125 T 8.51 4.53 4.14 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 0.81 0.00 0.00 126 N 8.22 5.18 0.00 2.70 2.63 0.00 0.00 7.01 7.54 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 0.00 127 Y 9.07 5.55 0.00 2.99 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 Y 8.09 4.95 0.00 3.02 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 0.00 129 N 8.79 4.60 0.00 2.84 2.89 0.00 0.00 6.51 6.66 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 0.00 130 L 8.16 4.23 0.00 1.53 1.58 1.11 0.74 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 0.00 131 Q 8.18 4.03 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 132 E 8.84 3.97 0.00 2.13 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 0.00 2.38 2.46 0.00 133 W 8.43 4.05 0.00 3.50 3.45 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 0.00 134 I 8.32 3.34 2.04 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 1.56 1.38 0.88 0.00 0.00 135 A 7.79 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 0.00 136 Q 8.10 4.05 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.70 0.00 137 V 7.31 3.70 1.81 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 -0.33 0.00 0.00 0.28 0.00 0.00 138 S 7.26 4.62 0.00 3.86 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 0.00 139 R 7.64 4.09 0.00 1.94 2.06 0.00 3.10 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.