NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.6024 8.3044 120.3278 54.7834 34.4947 175.3443 5 S 4.1125 7.9613 114.7645 57.5872 63.6705 171.4223 6 L 4.7928 9.4695 130.3581 55.4574 43.7187 174.6207 7 Y 5.0589 9.3106 123.0335 56.2222 42.7846 174.2392 8 R 5.1579 8.9421 121.0102 54.5971 34.0644 173.7177 9 L 5.3325 9.0871 126.7533 53.3595 45.6557 174.8719 10 I 5.1438 8.8829 127.0255 59.7170 40.1606 174.2453 11 Y 5.4550 8.6774 123.7586 55.5182 42.1596 173.8496 12 S 5.3130 9.1977 113.9269 56.9329 67.0512 172.8235 13 S 4.9691 9.0537 114.6499 57.7079 67.3997 172.3860 14 Q 4.9062 8.9253 119.2757 53.9125 30.3442 176.1081 15 G 4.3946 9.2896 113.0897 45.6159 0.0000 173.4742 16 I 4.0896 8.5625 116.5843 59.9887 38.1937 175.4471 17 P 4.2710 0.0000 0.0000 65.5628 31.2478 176.8797 18 N 4.7734 7.9898 112.5782 52.2581 37.6501 174.9754 19 L 4.1218 7.7254 121.6556 56.4495 42.4021 177.0259 *20 Q 4.7464 9.2679 120.3124 51.6257 32.6296 172.3874 21 P 4.2834 0.0000 0.0000 67.3136 31.1313 178.5337 22 Q 3.9564 8.1692 117.5075 59.5092 28.8183 178.1690 23 D 4.3411 7.9357 119.2263 57.4586 40.8274 178.7065 24 L 3.9721 7.7554 120.2164 57.8432 42.1697 178.7173 25 K 3.9297 8.0324 119.8338 59.4777 32.0995 178.6255 26 D 4.3452 8.5479 119.7371 57.2260 40.6847 178.7104 27 I 3.5908 7.7679 120.3299 64.2464 37.0369 178.2150 28 L 3.9573 8.1594 123.5737 58.9025 42.0244 179.4941 29 E 3.9797 8.2509 118.2064 61.1578 29.5700 181.1320 30 S 4.3036 8.0645 115.7973 61.6026 62.8359 176.8726 31 S 4.1180 8.1497 117.8690 61.9136 62.4005 176.9491 32 Q 4.0302 8.1763 119.5244 58.5385 28.4508 178.4520 33 R 4.0340 7.7334 119.3091 59.3663 30.5585 177.7884 34 N 4.5763 8.2917 116.0161 55.8519 38.7860 177.3014 35 N 4.4092 8.4803 118.2677 55.8241 38.6394 175.4855 36 P 4.2429 0.0000 0.0000 65.6925 31.2643 178.5438 37 A 4.0673 7.9880 118.4615 54.6794 18.5148 177.6158 38 N 4.6124 7.7523 110.5989 52.7368 38.8661 175.5299 39 G 3.9615 7.8240 106.1382 46.4334 0.0000 173.6369 40 I 4.5315 7.8892 120.5120 59.9702 38.3099 175.4658 41 T 5.2429 9.2319 113.3800 57.9993 72.0410 174.1418 42 G 3.9914 7.1140 106.0700 46.2028 0.0000 170.7107 43 L 4.8161 7.3981 120.5448 53.7490 45.9867 175.2396 44 L 5.1208 9.0977 127.9457 53.4474 44.9162 174.6217 45 C 5.4173 9.3124 123.7043 58.0909 31.6707 172.1798 46 Y 4.8805 8.9996 123.9998 55.9464 41.1736 174.1849 47 S 4.9130 8.6913 124.6221 55.1584 64.4108 173.2872 48 K 3.0735 7.7543 127.0243 54.5102 31.8041 172.6136 49 P 4.6675 0.0000 0.0000 61.8928 32.8699 174.9691 50 A 4.9105 8.1995 123.9561 51.2226 20.8024 176.5620 51 F 5.3852 8.9019 119.8419 55.9787 41.9691 174.8236 52 L 5.0703 9.0361 123.6408 53.4158 45.3732 174.9425 53 Q 4.9836 8.5439 126.7243 54.1455 33.1231 173.6886 54 V 4.8501 8.4273 124.7407 59.8371 34.1593 174.4165 55 L 5.2917 9.0754 123.8161 53.0192 45.3287 175.3316 56 E 5.1443 10.3390 121.8021 53.9806 33.9115 176.5288 57 G 4.1453 7.8634 108.5013 45.0110 0.0000 171.3229 58 E 4.4773 8.0090 119.1936 55.9576 31.5191 177.3311 59 C 3.5787 8.5773 125.6286 62.7417 31.4643 175.8432 60 E 3.8610 8.0776 119.9514 59.5705 29.1787 178.7316 61 Q 3.9794 7.9741 117.4738 58.7409 28.7976 178.4876 62 V 3.6394 8.1988 119.7561 66.2195 31.5814 177.8997 63 N 4.4548 8.3008 116.1901 56.2586 38.3892 177.0055 64 E 3.9535 8.4413 120.8978 59.6045 29.6760 179.1418 65 T 3.8521 8.1167 115.7552 66.6620 68.4930 176.0983 66 Y 3.9705 8.2704 121.7179 61.2521 38.6397 178.1161 67 H 3.7898 8.0668 115.3134 58.2472 29.1102 177.6798 68 R 3.9366 7.8494 120.8999 59.3643 29.9242 178.3163 69 I 3.5732 7.8300 120.0287 64.7117 36.9113 178.7487 70 V 3.3352 7.1396 111.5794 64.1770 31.3308 177.9433 71 Q 4.1823 7.4598 115.2413 55.7997 28.8347 175.8210 72 D 4.3193 7.8364 124.4399 54.7085 41.5462 177.4042 *73 E 4.2174 8.7533 122.3450 58.0449 30.1144 174.4254 74 R 4.4262 8.4428 116.0100 57.7595 30.4940 175.3665 75 H 5.3088 7.7687 111.5004 55.1385 31.6419 171.6567 76 H 4.7286 9.1380 115.2457 54.8334 31.9867 172.8149 77 S 3.8841 8.7409 112.8187 59.0240 59.9442 171.4278 78 P 4.6106 0.0000 0.0000 62.9063 32.4314 176.4653 79 Q 4.6108 9.4327 120.5765 53.9558 31.2542 174.9102 80 I 4.0561 8.4581 125.9442 61.8064 37.0642 176.2294 81 I 4.1883 8.8488 128.8832 63.3685 38.1899 175.9859 82 E 4.7676 7.8332 120.1173 55.3752 33.1496 173.6964 83 C 5.2644 8.3238 125.2250 58.6793 34.5396 172.6245 84 M 4.3933 8.7149 121.6348 53.5836 34.4095 172.5134 85 P 4.0305 0.0000 0.0000 62.4080 32.1555 175.7184 86 I 4.5579 8.1361 115.6575 59.1270 40.0803 175.9991 87 R 4.0627 8.7305 122.7303 59.1823 30.2692 177.0278 88 R 4.5149 7.2048 110.2502 55.1506 31.6646 174.4945 89 R 4.4362 8.3304 117.9597 56.2850 30.7981 176.3397 90 N 4.6953 9.3628 115.9750 53.0300 40.7825 175.6959 91 F 4.6282 8.3422 117.4077 56.8746 39.5367 177.0603 92 E 4.1795 8.1160 119.6093 58.4289 29.5253 177.8405 93 V 3.8412 7.3089 111.7188 61.9106 32.5213 175.6939 94 W 5.0758 7.9269 121.1200 54.4751 31.0588 175.8424 95 S 4.4421 9.0918 118.9565 61.4751 62.9659 173.9619 96 M 4.8472 7.7616 118.2886 54.9136 34.8411 174.0595 97 Q 4.6007 8.2758 123.9066 53.5924 33.0392 173.8569 98 A 5.1619 8.3552 121.2123 50.4188 21.6110 175.5796 99 I 4.4340 8.9362 123.9239 59.4846 40.3049 174.7263 100 T 4.8839 8.5728 117.2636 60.4686 70.6997 174.2262 101 V 4.4722 8.8740 126.2712 61.3143 34.3198 173.8380 102 N 5.2438 9.1885 128.8026 52.2715 40.0867 175.0803 *103 D 4.5875 8.8647 117.8834 55.7005 39.9382 172.9889 104 L 4.7942 7.6088 116.3382 54.8322 42.0270 181.9992 105 S 4.5598 7.7875 115.4478 58.9418 63.6171 174.8046 106 T 4.0995 8.4318 120.3463 64.4875 69.9466 175.9244 107 E 3.9963 8.8103 123.0498 61.5558 29.6221 179.8183 108 Q 4.1654 8.0651 119.7258 58.9905 29.1396 178.5352 109 V 3.6939 7.7458 118.8810 66.0151 31.8563 178.0166 110 K 4.0687 8.4064 118.4382 59.8484 31.8379 179.4298 111 T 4.0397 8.3535 116.3749 66.1872 68.1807 176.7346 112 L 4.1192 7.6981 121.5516 58.1145 42.4956 178.7873 113 V 3.9414 8.2208 118.2922 66.1591 31.3401 177.8435 114 L 4.1888 7.9469 119.9269 57.8413 41.6881 178.4272 115 K 3.6637 8.3166 119.3259 59.2146 32.0645 177.1950 116 Y 4.7580 7.3483 111.9036 57.2070 38.7923 174.7660 117 S 4.6051 7.6364 114.0389 57.0191 66.1910 174.5511 118 G 3.4523 8.5418 108.5416 47.7139 0.0000 172.8148 119 F 4.8427 7.3891 115.9422 56.4463 43.0602 173.9409 120 T 4.2512 8.7089 114.4524 63.4627 67.5598 174.4081 121 T 4.3528 7.6634 111.4001 59.9572 70.1602 174.0969 122 L 3.8463 8.3392 127.7077 55.0619 42.4406 176.6021 123 R 4.4157 8.1210 124.5814 53.2944 31.6460 173.6430 124 P 4.1623 0.0000 0.0000 65.5556 31.5800 179.1537 125 S 4.1452 8.1376 112.4149 60.7662 62.7621 174.6386 126 A 4.6067 8.0125 121.7171 51.9503 19.1466 176.4925 127 M 4.9875 7.7950 115.8197 53.0023 35.6939 175.7641 128 D 4.7524 8.8775 122.6538 51.7666 42.3984 175.8362 129 P 4.2428 0.0000 0.0000 65.8468 31.1497 178.5139 130 E 3.9238 8.1909 117.3964 59.4395 29.5646 178.7814 131 Q 3.9931 8.6974 118.2907 58.9771 28.7828 178.3892 132 C 4.0786 8.4530 118.1944 62.7338 28.1697 175.9095 133 L 4.0135 8.0441 121.7930 58.3375 41.6419 178.7274 134 N 4.2189 8.1448 116.4055 56.1131 38.3364 177.0562 135 F 3.7777 7.7528 122.1438 61.3416 39.4984 177.2254 136 L 3.9592 8.1528 118.4549 57.6677 41.4443 179.5416 137 L 3.9544 8.4149 119.4170 57.9866 41.5473 179.3756 138 D 4.3691 8.2425 119.0395 57.3197 40.4449 178.6990 139 I 3.6938 7.7995 119.2340 63.6781 37.6453 177.7467 140 A 4.4599 7.9893 123.6421 55.9502 18.3533 180.1378 141 K 4.2153 7.8701 120.9297 59.4474 31.9319 180.4779 142 I 4.3393 7.6038 110.5520 62.0197 38.0311 176.1444 143 Y 4.2478 7.8629 123.6957 58.3427 38.1093 174.9772 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 4 M 8.30 4.60 0.00 2.04 2.21 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 2.51 2.69 0.00 5 S 7.96 4.11 0.00 4.13 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 6 L 9.47 4.79 0.00 1.86 1.55 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.31 5.06 0.00 3.07 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 8 R 8.94 5.16 0.00 1.86 1.70 0.00 3.14 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 9 L 9.09 5.33 0.00 1.73 1.45 0.42 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.88 5.14 1.86 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 1.25 0.62 0.92 0.00 0.00 11 Y 8.68 5.46 0.00 3.17 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 12 S 9.20 5.31 0.00 4.00 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 13 S 9.05 4.97 0.00 4.14 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 0.00 14 Q 8.93 4.91 0.00 1.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 15 G 9.29 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 16 I 8.56 4.09 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.63 1.08 0.00 0.00 17 P 0.00 4.27 0.00 2.08 2.20 0.00 3.71 0.00 0.00 3.78 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 18 N 7.99 4.77 0.00 2.83 2.92 0.00 0.00 6.03 7.79 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 19 L 7.73 4.12 0.00 1.83 1.53 0.84 0.73 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 *20 Q 9.27 4.75 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 21 P 0.00 4.28 0.00 2.14 2.15 0.00 3.58 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 2.13 2.18 0.00 22 Q 8.17 3.96 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 23 D 7.94 4.34 0.00 2.89 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 24 L 7.76 3.97 0.00 1.62 1.75 1.05 0.67 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 25 K 8.03 3.93 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 26 D 8.55 4.35 0.00 2.84 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 I 7.77 3.59 1.95 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.76 0.00 0.00 28 L 8.16 3.96 0.00 1.87 1.63 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.25 3.98 0.00 2.03 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 2.24 2.22 0.00 30 S 8.06 4.30 0.00 3.98 3.90 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 31 S 8.15 4.12 0.00 4.04 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 32 Q 8.18 4.03 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 33 R 7.73 4.03 0.00 1.90 2.19 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 34 N 8.29 4.58 0.00 2.78 2.83 0.00 0.00 7.07 6.51 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 35 N 8.48 4.41 0.00 2.86 3.14 0.00 0.00 7.01 7.95 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 36 P 0.00 4.24 0.00 2.17 2.14 0.00 3.76 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 2.24 2.20 0.00 37 A 7.99 4.07 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 38 N 7.75 4.61 0.00 2.87 2.88 0.00 0.00 6.97 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 39 G 7.82 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 40 I 7.89 4.53 2.03 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 1.54 0.93 0.96 0.00 0.00 41 T 9.23 5.24 4.70 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 1.31 0.00 0.00 42 G 7.11 3.99 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 0.00 0.00 0.00 43 L 7.40 4.82 0.00 1.85 1.11 0.80 0.59 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 44 L 9.10 5.12 0.00 1.70 1.62 1.02 0.72 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 45 C 9.31 5.42 0.00 2.92 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 46 Y 9.00 4.88 0.00 2.97 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 47 S 8.69 4.91 0.00 3.70 3.47 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 48 K 7.75 3.07 0.00 1.81 1.64 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.04 7.81 49 P 0.00 4.67 0.00 2.08 2.26 0.00 3.50 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 1.94 1.91 0.00 50 A 8.20 4.91 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 51 F 8.90 5.39 0.00 3.20 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 52 L 9.04 5.07 0.00 1.64 1.43 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.54 4.98 0.00 1.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 54 V 8.43 4.85 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 -0.21 0.00 0.00 0.84 0.00 0.00 55 L 9.08 5.29 0.00 1.63 1.63 1.12 0.69 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 56 E 10.34 5.14 0.00 1.94 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 2.33 2.34 0.00 57 G 7.86 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 0.00 0.00 0.00 0.00 58 E 8.01 4.48 0.00 2.07 1.84 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 2.39 2.56 0.00 59 C 8.58 3.58 0.00 2.62 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 60 E 8.08 3.86 0.00 2.03 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 2.36 2.38 0.00 61 Q 7.97 3.98 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 62 V 8.20 3.64 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 1.20 0.00 0.00 1.09 0.00 0.00 63 N 8.30 4.45 0.00 3.07 2.90 0.00 0.00 6.71 7.22 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 64 E 8.44 3.95 0.00 2.08 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 2.30 2.49 0.00 65 T 8.12 3.85 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 1.24 0.00 0.00 66 Y 8.27 3.97 0.00 2.97 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 67 H 8.07 3.79 0.00 3.18 3.29 0.00 5.91 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 68 R 7.85 3.94 0.00 1.93 2.08 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 69 I 7.83 3.57 1.73 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.50 0.82 0.00 0.00 70 V 7.14 3.34 1.79 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 -0.26 0.00 0.00 0.70 0.00 0.00 71 Q 7.46 4.18 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 72 D 7.84 4.32 0.00 2.78 2.48 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 *73 E 8.75 4.22 0.00 2.03 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 2.23 1.90 0.00 74 R 8.44 4.43 0.00 1.93 2.01 0.00 3.08 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 H 7.77 5.31 0.00 3.59 3.46 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 9.14 4.73 0.00 3.23 3.45 0.00 5.41 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.74 3.88 0.00 4.05 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 78 P 0.00 4.61 0.00 2.24 1.94 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.86 0.00 79 Q 9.43 4.61 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 80 I 8.46 4.06 1.85 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 0.87 0.45 0.81 0.00 0.00 81 I 8.85 4.19 2.01 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 1.13 0.74 0.91 0.00 0.00 82 E 7.83 4.77 0.00 2.00 1.72 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 2.27 2.29 0.00 83 C 8.32 5.26 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 84 M 8.71 4.39 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 85 P 0.00 4.03 0.00 1.76 1.80 0.00 3.35 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 86 I 8.14 4.56 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.89 0.00 0.00 87 R 8.73 4.06 0.00 1.80 2.01 0.00 3.22 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 88 R 7.20 4.51 0.00 1.84 1.83 0.00 3.00 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 89 R 8.33 4.44 0.00 1.91 2.11 0.00 3.18 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 90 N 9.36 4.70 0.00 2.11 2.14 0.00 0.00 6.78 7.24 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 91 F 8.34 4.63 0.00 3.32 3.07 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 92 E 8.12 4.18 0.00 2.06 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 2.18 2.22 0.00 93 V 7.31 3.84 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 0.55 0.00 0.00 0.01 0.00 0.00 94 W 7.93 5.08 0.00 3.52 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 95 S 9.09 4.44 0.00 3.95 4.21 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 96 M 7.76 4.85 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 97 Q 8.28 4.60 0.00 1.80 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 98 A 8.36 5.16 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 99 I 8.94 4.43 1.64 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.29 0.54 0.00 0.00 100 T 8.57 4.88 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 1.32 0.00 0.00 101 V 8.87 4.47 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 1.12 0.00 0.00 1.07 0.00 0.00 102 N 9.19 5.24 0.00 2.82 2.83 0.00 0.00 6.75 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 *103 D 8.86 4.59 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.61 4.79 0.00 1.61 1.51 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.79 4.56 0.00 4.02 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 0.00 106 T 8.43 4.10 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 0.00 107 E 8.81 4.00 0.00 1.97 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 2.32 1.95 0.00 108 Q 8.07 4.17 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 109 V 7.75 3.69 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 1.18 0.00 0.00 1.10 0.00 0.00 110 K 8.41 4.07 0.00 2.03 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.67 7.81 111 T 8.35 4.04 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 1.22 0.00 0.00 112 L 7.70 4.12 0.00 1.99 2.04 0.76 1.77 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 0.00 113 V 8.22 3.94 2.36 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 0.95 0.00 0.00 1.21 0.00 0.00 114 L 7.95 4.19 0.00 2.05 1.83 0.92 0.35 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 0.00 115 K 8.32 3.66 0.00 1.74 1.86 0.00 1.69 0.00 0.00 1.53 0.00 0.00 2.60 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.57 1.21 7.81 116 Y 7.35 4.76 0.00 3.15 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 0.00 117 S 7.64 4.61 0.00 3.89 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 0.00 118 G 8.54 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 0.00 0.00 0.00 119 F 7.39 4.84 0.00 3.08 2.91 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 0.00 120 T 8.71 4.25 4.31 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 1.28 0.00 0.00 121 T 7.66 4.35 4.16 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 0.00 0.00 0.00 1.16 0.00 0.00 122 L 8.34 3.85 0.00 1.43 1.49 0.18 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.12 4.42 0.00 1.84 1.76 0.00 3.10 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 124 P 0.00 4.16 0.00 2.15 2.07 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 125 S 8.14 4.15 0.00 3.85 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 0.00 126 A 8.01 4.61 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 0.00 127 M 7.80 4.99 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 128 D 8.88 4.75 0.00 2.92 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 0.00 129 P 0.00 4.24 0.00 2.18 2.16 0.00 3.61 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 2.30 0.00 130 E 8.19 3.92 0.00 2.02 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 2.40 2.37 0.00 131 Q 8.70 3.99 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 132 C 8.45 4.08 0.00 3.08 2.97 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 0.00 133 L 8.04 4.01 0.00 1.78 1.67 1.10 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.14 4.22 0.00 2.28 2.54 0.00 0.00 6.71 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 0.00 135 F 7.75 3.78 0.00 2.84 3.15 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 0.00 136 L 8.15 3.96 0.00 2.08 1.85 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.41 3.95 0.00 1.80 1.63 0.87 0.47 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 0.00 138 D 8.24 4.37 0.00 2.81 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 0.00 139 I 7.80 3.69 1.15 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 1.31 1.36 0.74 0.00 0.00 140 A 7.99 4.46 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 0.00 0.00 0.00 0.00 0.00 141 K 7.87 4.22 0.00 1.89 1.74 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.31 7.81 142 I 7.60 4.34 1.91 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 1.60 1.29 0.95 0.00 0.00 143 Y 7.86 4.25 0.00 3.08 2.97 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 * Residues marked with a * may have inaccurate shift predictions.