NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5107 8.1633 118.3342 55.2510 33.6446 172.9012 2 L 4.9925 8.4459 118.4047 52.9471 43.5078 174.9663 3 R 4.6887 8.9291 123.5690 54.5989 33.5209 174.8241 4 T 4.8324 8.4198 117.4998 61.5962 68.3975 173.6367 5 M 5.0813 9.3776 127.6041 53.0147 37.1746 174.2667 6 L 3.4709 8.6708 122.5219 55.9446 42.1271 176.1333 7 K 4.3192 8.6249 128.9481 58.3493 33.9354 176.1751 8 S 4.9877 8.3100 112.8146 57.3300 67.0194 173.6420 9 K 5.1471 8.4141 120.5061 56.7564 36.1107 174.4569 10 I 4.5030 8.3611 129.3498 60.1775 37.9480 174.2337 11 H 4.5625 8.9155 128.4338 55.8629 30.1066 175.0546 12 R 3.8237 8.6522 126.0353 57.2643 27.0151 176.6548 13 A 4.4296 7.4685 117.2921 52.3061 20.0900 177.4704 14 T 4.9138 8.6015 116.7730 61.6262 70.3842 174.9385 15 V 3.5536 8.7298 126.9776 63.7069 31.8690 176.2627 16 T 4.0319 8.6056 126.0043 66.1874 68.0071 175.2457 17 C 5.0800 7.3004 114.5590 58.0398 33.8393 171.0800 18 A 4.6528 7.9546 114.8880 51.8632 21.5611 175.8083 19 D 4.5807 8.3573 122.5414 52.4102 44.1020 175.6867 20 L 4.0302 8.9640 128.7946 58.2641 43.1051 176.8051 21 H 4.8558 8.4664 113.7156 55.3569 30.2770 169.9030 22 Y 3.2622 8.4147 130.7074 57.0485 39.6857 169.1853 23 V 4.3235 7.4208 126.0419 61.8889 33.3345 174.9840 24 G 4.2393 8.7937 110.7563 45.0518 0.0000 176.4673 25 S 3.1071 7.7996 117.6537 58.5885 63.7538 173.9137 26 V 5.1651 5.5293 119.9057 61.0625 34.1355 173.1860 27 T 4.7878 8.8835 119.6883 60.7242 69.6314 173.7888 28 I 4.9327 8.9709 128.5016 58.8329 40.4915 174.8645 29 D 4.5320 8.4467 124.3641 55.1524 41.7330 176.6142 30 A 3.9955 8.7168 128.6178 55.8733 18.3980 179.1369 31 D 4.3661 8.4435 116.8974 57.8265 40.8637 179.4538 32 L 4.0279 8.0664 119.0871 58.1246 41.6251 179.5278 33 M 4.0201 7.9777 118.1384 58.2955 31.8414 178.5044 34 D 4.2834 8.2412 118.9093 57.1641 40.8886 178.4445 35 A 3.8411 8.2143 121.2341 55.1536 18.3669 178.1461 36 A 4.2443 8.5139 115.6094 51.1191 18.9166 176.7540 37 D 4.3200 7.9303 113.4307 55.1936 39.2677 172.1262 38 L 4.9571 9.0146 121.3614 52.5025 46.0293 175.9237 39 L 4.6252 8.9253 122.7354 52.3911 43.4807 176.0717 40 E 3.8052 8.7502 123.3712 58.4791 29.5020 175.4984 41 G 3.7972 10.2151 117.3827 45.9307 0.0000 171.0141 42 E 4.7653 8.1450 121.5468 54.7168 33.2173 174.5787 43 Q 4.4727 9.2210 128.5442 56.9815 29.7963 175.6124 44 V 4.7106 10.7616 125.7159 61.4855 35.0446 174.2005 45 T 5.1213 9.0615 124.1831 62.1914 71.2019 173.5916 46 I 5.0873 8.5909 125.1466 59.6132 40.8412 174.8668 47 V 4.8113 8.6969 119.6044 59.5987 35.1829 174.2982 48 D 4.8061 8.6236 125.8428 53.0251 41.1738 176.4820 49 I 3.7120 8.6064 128.6077 64.8450 37.0581 177.9066 50 D 4.5127 8.4309 120.3634 56.7711 40.8467 176.7708 51 N 4.9141 8.3419 113.1673 51.6821 38.1816 174.3998 52 G 3.9149 8.9113 104.7402 46.7665 0.0000 174.1793 53 A 4.3228 7.6508 121.0214 51.9828 19.9674 178.1843 54 R 4.9603 8.2413 117.9444 55.4315 33.6970 174.6673 55 L 4.9306 8.8957 123.5925 52.7448 46.3302 176.0224 56 V 4.7998 8.1436 119.1387 61.9440 33.9282 174.0602 57 T 4.7663 9.1635 122.3554 61.3348 71.2189 171.8449 58 Y 5.5188 8.8938 121.1394 55.6509 40.4575 173.9010 59 A 4.9454 8.6163 120.2238 50.1445 22.5068 175.0754 60 I 4.8417 9.3220 122.0176 59.4739 40.5687 175.2872 61 T 4.3246 8.4942 123.1728 63.8581 68.8620 174.7122 62 G 4.0935 9.9456 114.9095 44.2811 0.0000 172.1693 63 E 4.4345 8.5381 120.3446 55.9343 30.5381 176.8785 64 R 4.3322 8.6404 123.3793 57.1351 31.0231 178.9489 65 G 4.2344 9.2040 109.3232 47.0299 0.0000 175.3087 66 S 4.1180 8.5327 114.2525 59.1152 62.9442 175.0650 67 G 4.6278 8.5227 109.1266 46.2844 0.0000 173.7743 68 V 3.7039 7.0661 118.5075 63.2409 32.8915 175.6143 69 I 4.4956 8.2513 124.5273 60.5642 40.3250 172.8869 70 G 4.2586 9.0490 113.3741 44.2492 0.0000 169.9767 71 I 4.8090 7.8761 124.0901 59.5632 38.9906 174.1831 72 N 4.9751 9.8383 126.7442 52.4146 39.5562 172.6531 73 G 4.1102 10.1269 118.5109 45.7106 0.0000 171.2759 74 A 3.8363 8.5071 129.0367 53.1130 17.0127 179.2886 75 A 4.1155 7.5925 115.6830 53.5689 18.7510 179.2314 76 A 4.1029 8.0062 118.2146 54.5429 18.7146 177.2944 77 H 4.6883 8.1086 112.9252 55.4475 30.4271 173.4507 78 L 3.7876 8.2829 121.0773 55.5224 40.0363 174.5322 79 V 4.3615 7.2836 115.6011 61.3923 32.8375 174.8513 80 H 5.0936 8.6188 122.7310 52.9019 32.5160 171.2711 81 P 4.3536 0.0000 0.0000 63.9230 31.5392 177.3204 82 G 3.9233 8.7448 108.2500 46.0857 0.0000 173.1316 83 D 4.9866 7.5793 119.8838 52.8767 42.9661 175.7045 84 L 4.7725 9.7422 124.4357 54.2982 43.1569 176.3554 85 V 5.1400 8.5079 117.4295 59.4360 36.0342 174.5506 86 I 4.7965 8.5910 120.7329 59.9888 41.2858 174.7628 87 L 5.2160 8.4858 126.2020 53.2782 44.0506 175.6470 88 I 4.9724 9.0554 123.3999 59.4087 41.5568 174.2282 89 A 4.8729 9.0361 127.7856 50.7120 21.5294 175.0776 90 Y 4.8366 8.9635 122.7967 59.5023 40.3407 174.1776 91 A 5.0822 8.2564 127.3057 52.8481 21.8607 176.7849 92 T 4.5922 8.6152 113.9321 62.3063 70.0351 173.7188 93 M 4.8685 9.0658 122.7897 53.8223 37.6130 173.7827 94 D 4.8243 8.6017 119.8643 53.9693 41.9627 176.6143 95 D 4.3459 8.7803 126.1676 57.2273 41.3944 178.4752 96 A 4.1393 7.7734 119.8761 55.2797 16.9644 179.4693 97 R 3.7684 7.9650 115.0928 59.1597 29.9376 178.7016 98 A 4.1006 7.7918 119.6609 55.7700 18.3814 178.7848 99 R 3.8083 7.6287 114.5568 58.8303 30.4801 177.1676 100 T 4.4216 7.2916 113.6262 60.7621 69.1350 173.7941 101 Y 4.8373 8.1933 124.6150 56.8843 41.6500 173.4104 102 Q 4.3076 8.8128 126.8128 53.5467 29.0601 173.4957 103 P 3.9034 0.0000 0.0000 62.2097 32.3464 177.6517 104 R 4.0508 8.5766 123.9258 56.3331 29.4686 174.4797 105 I 4.5503 7.7631 123.7953 59.5080 39.1853 175.3088 106 V 3.9941 8.4700 127.1396 60.8790 33.3022 174.7797 107 F 5.2201 7.9197 126.9264 57.4829 39.7896 175.2232 108 V 4.6493 8.1746 119.7679 59.8831 34.6535 174.5288 109 D 4.4940 8.6955 119.9263 53.5211 41.8021 176.8091 110 A 4.1199 8.3099 125.2788 54.0477 18.2647 177.6720 111 Y 4.8869 8.1823 112.3316 56.8467 39.0670 173.5937 112 N 4.2402 9.5925 123.0081 53.4259 35.3897 173.1417 113 K 4.5157 8.1537 121.3759 57.4502 39.3239 175.4089 *114 P 4.2215 0.0000 0.0000 62.3110 31.3818 178.4178 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 8.16 4.51 0.00 2.11 2.31 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 L 8.45 4.99 0.00 1.60 1.62 0.92 0.58 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 3 R 8.93 4.69 0.00 1.79 1.84 0.00 3.14 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 4 T 8.42 4.83 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 1.19 0.00 0.00 5 M 9.38 5.08 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 6 L 8.67 3.47 0.00 1.40 1.51 0.59 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.62 4.32 0.00 2.00 2.12 0.00 1.84 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 8 S 8.31 4.99 0.00 3.88 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 9 K 8.41 5.15 0.00 1.74 1.54 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.23 7.81 10 I 8.36 4.50 1.87 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 1.21 1.04 0.92 0.00 0.00 11 H 8.92 4.56 0.00 3.23 3.58 0.00 6.04 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.65 3.82 0.00 1.91 1.98 0.00 3.12 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.89 0.00 13 A 7.47 4.43 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 14 T 8.60 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 1.24 0.00 0.00 15 V 8.73 3.55 2.23 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 1.08 0.00 0.00 1.02 0.00 0.00 16 T 8.61 4.03 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 1.21 0.00 0.00 17 C 7.30 5.08 0.00 2.94 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 18 A 7.95 4.65 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 19 D 8.36 4.58 0.00 2.74 2.53 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 20 L 8.96 4.03 0.00 1.86 1.74 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 H 8.47 4.86 0.00 3.19 3.32 0.00 6.07 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 22 Y 8.41 3.26 0.00 3.16 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 23 V 7.42 4.32 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 0.96 0.00 0.00 0.90 0.00 0.00 24 G 8.79 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 0.00 0.00 0.00 0.00 25 S 7.80 3.11 0.00 3.55 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 26 V 5.53 5.17 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 1.01 0.00 0.00 0.84 0.00 0.00 27 T 8.88 4.79 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 1.30 0.00 0.00 28 I 8.97 4.93 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 1.10 0.91 0.91 0.00 0.00 29 D 8.45 4.53 0.00 2.75 2.57 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 30 A 8.72 4.00 1.39 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 31 D 8.44 4.37 0.00 2.84 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 32 L 8.07 4.03 0.00 1.91 1.71 0.93 0.76 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 33 M 7.98 4.02 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 34 D 8.24 4.28 0.00 2.81 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 35 A 8.21 3.84 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 36 A 8.51 4.24 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 37 D 7.93 4.32 0.00 2.72 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 38 L 9.01 4.96 0.00 1.56 1.50 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.93 4.63 0.00 1.60 1.59 0.94 0.79 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 40 E 8.75 3.81 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 2.35 2.41 0.00 41 G 10.22 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 0.00 0.00 0.00 42 E 8.15 4.77 0.00 2.23 1.80 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 2.20 2.20 0.00 43 Q 9.22 4.47 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.46 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 44 V 10.76 4.71 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 0.83 0.00 0.00 0.99 0.00 0.00 45 T 9.06 5.12 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 1.34 0.00 0.00 46 I 8.59 5.09 1.87 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 0.78 0.91 0.00 0.00 47 V 8.70 4.81 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 0.72 0.00 0.00 1.02 0.00 0.00 48 D 8.62 4.81 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 49 I 8.61 3.71 2.07 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 1.23 0.53 0.91 0.00 0.00 50 D 8.43 4.51 0.00 2.77 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 51 N 8.34 4.91 0.00 2.77 2.84 0.00 0.00 6.98 6.59 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 52 G 8.91 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 53 A 7.65 4.32 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 54 R 8.24 4.96 0.00 1.66 1.84 0.00 3.16 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 55 L 8.90 4.93 0.00 1.56 1.51 0.90 0.57 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 56 V 8.14 4.80 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 0.81 0.00 0.00 0.94 0.00 0.00 57 T 9.16 4.77 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 1.13 0.00 0.00 58 Y 8.89 5.52 0.00 3.09 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 59 A 8.62 4.95 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 60 I 9.32 4.84 1.88 0.00 0.00 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 1.44 1.10 0.97 0.00 0.00 61 T 8.49 4.32 4.37 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 1.23 0.00 0.00 62 G 9.95 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 63 E 8.54 4.43 0.00 2.00 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 2.29 2.34 0.00 64 R 8.64 4.33 0.00 1.81 1.95 0.00 3.33 0.00 0.00 3.45 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 65 G 9.20 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 0.00 0.00 0.00 0.00 66 S 8.53 4.12 0.00 3.95 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 67 G 8.52 4.63 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 0.00 0.00 0.00 68 V 7.07 3.70 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 0.99 0.00 0.00 0.93 0.00 0.00 69 I 8.25 4.50 2.01 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 1.16 0.97 0.91 0.00 0.00 70 G 9.05 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 0.00 0.00 0.00 0.00 71 I 7.88 4.81 1.87 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 1.20 1.41 0.93 0.00 0.00 72 N 9.84 4.98 0.00 2.50 3.02 0.00 0.00 7.02 7.53 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 73 G 10.13 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.51 3.84 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 75 A 7.59 4.12 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 76 A 8.01 4.10 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 77 H 8.11 4.69 0.00 3.11 3.32 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.28 3.79 0.00 1.77 1.72 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.28 4.36 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 0.76 0.00 0.00 0.90 0.00 0.00 80 H 8.62 5.09 0.00 3.52 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.35 0.00 2.05 2.00 0.00 3.82 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 2.04 2.25 0.00 82 G 8.74 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 83 D 7.58 4.99 0.00 2.79 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 84 L 9.74 4.77 0.00 1.56 1.60 0.91 0.48 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 85 V 8.51 5.14 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 0.81 0.00 0.00 0.99 0.00 0.00 86 I 8.59 4.80 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.95 0.00 0.00 87 L 8.49 5.22 0.00 1.57 1.56 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 88 I 9.06 4.97 1.89 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 1.11 0.77 0.44 0.00 0.00 89 A 9.04 4.87 1.18 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 0.00 0.00 90 Y 8.96 4.84 0.00 2.96 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 91 A 8.26 5.08 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 92 T 8.62 4.59 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 1.23 0.00 0.00 93 M 9.07 4.87 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.48 0.00 94 D 8.60 4.82 0.00 2.73 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 95 D 8.78 4.35 0.00 2.83 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 96 A 7.77 4.14 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 97 R 7.96 3.77 0.00 1.69 1.79 0.00 3.23 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.56 0.00 98 A 7.79 4.10 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 99 R 7.63 3.81 0.00 1.86 1.99 0.00 3.16 0.00 0.00 3.29 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 100 T 7.29 4.42 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 0.00 101 Y 8.19 4.84 0.00 3.02 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 0.00 102 Q 8.81 4.31 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 103 P 0.00 3.90 0.00 1.74 1.89 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 104 R 8.58 4.05 0.00 1.66 1.81 0.00 3.36 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 105 I 7.76 4.55 1.59 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.58 0.62 0.00 0.00 106 V 8.47 3.99 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 0.94 0.00 0.00 0.85 0.00 0.00 107 F 7.92 5.22 0.00 3.02 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 0.00 108 V 8.17 4.65 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 0.96 0.00 0.00 109 D 8.70 4.49 0.00 2.71 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 0.00 110 A 8.31 4.12 1.06 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 0.00 0.00 111 Y 8.18 4.89 0.00 2.98 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 0.00 112 N 9.59 4.24 0.00 2.75 2.93 0.00 0.00 6.69 7.49 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 0.00 113 K 8.15 4.52 0.00 1.73 1.78 0.00 1.86 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.53 7.81 *114 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.