NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3066 0.0000 0.0000 62.8002 32.8204 175.8192 6 T 4.1880 7.8648 113.1153 60.4007 69.8376 174.0304 7 I 3.6500 8.3005 124.1367 64.3961 37.4014 177.3999 8 N 4.1804 8.1326 116.1503 57.9150 38.9909 175.6948 9 Q 3.8789 8.8122 117.9808 58.5971 28.3623 180.2033 10 L 3.6738 8.3428 119.2118 57.3014 41.7790 179.3517 11 V 3.6318 7.5526 117.0082 66.1432 31.4963 177.2842 12 R 4.1326 8.3288 116.8334 59.1498 31.5185 177.7811 13 K 3.7249 8.3417 115.6531 56.5323 30.4503 177.9618 14 G 4.1719 9.1774 107.1719 44.2922 0.0000 173.9924 15 R 4.0545 8.2551 119.5009 55.2970 30.7114 176.3490 16 E 3.9957 8.6564 124.0894 55.2290 29.7751 176.0417 17 K 3.8126 8.6539 128.2359 56.8249 32.3807 176.3562 18 V 4.0316 8.3045 120.9802 60.1804 31.5804 175.8635 19 R 4.4410 8.3624 122.1251 54.6841 30.8849 175.8599 20 K 4.6377 8.2353 119.1076 54.6588 34.9498 175.9402 21 K 4.1123 8.3092 120.4039 56.3564 33.6735 176.7216 22 S 4.2723 8.4891 116.4930 57.6018 61.8689 174.6568 23 K 3.8101 8.5441 127.1050 57.4232 32.2124 177.0964 24 V 3.9156 8.2448 115.8058 62.1011 35.0996 171.8803 25 P 4.6514 0.0000 0.0000 61.5560 29.8040 176.6411 26 A 4.3581 7.7762 118.9043 52.3918 19.5596 178.7929 27 L 3.8762 7.2564 111.4014 55.9523 41.4204 174.8586 28 K 4.1677 9.2410 116.7346 57.8872 29.4944 174.8124 29 G 4.0215 8.4387 106.3308 45.9644 0.0000 174.0131 30 A 4.0328 8.3721 121.9204 51.4225 18.9668 176.7691 31 P 3.8894 0.0000 0.0000 64.6141 31.6241 175.6637 32 F 4.9006 7.3833 112.3070 57.3216 42.8576 173.0765 33 R 4.6917 8.3458 117.3065 56.0104 33.8979 176.1672 34 R 4.8021 8.1833 125.6594 54.6320 32.7112 174.6683 35 G 4.4222 7.7759 113.4039 45.2564 0.0000 171.2699 36 V 4.6333 7.3377 121.8651 61.0228 33.7455 174.9209 37 C 4.4397 8.6762 125.7311 60.5476 27.9582 173.3249 38 T 4.2835 8.5767 118.7633 63.7883 68.2258 175.0153 39 V 4.4458 7.4945 119.0641 61.2659 35.3273 173.7670 40 V 4.9792 8.1791 125.1857 61.3652 30.9954 174.7847 41 R 4.5552 7.6608 124.7257 55.2712 32.8216 174.0528 42 T 5.0047 8.0436 105.8263 60.9468 71.7242 173.3656 43 V 4.7390 8.5280 117.2830 59.4466 36.5491 174.8462 44 T 4.5671 8.3576 111.7609 61.0745 69.7802 172.7937 45 P 4.5835 0.0000 0.0000 60.9442 33.0185 177.7561 46 K 4.3292 8.8932 130.4105 58.7293 33.2726 179.2100 47 K 4.0469 8.1563 112.0429 55.1653 33.7087 173.5727 48 P 5.0400 0.0000 0.0000 61.9460 32.2613 175.8456 49 N 4.8987 7.9360 113.1195 52.7005 42.1856 175.9072 50 S 4.5314 8.6070 118.8904 56.1886 61.5058 172.3988 51 A 4.9863 7.7079 126.6786 50.2142 22.3878 175.3492 52 L 5.0676 7.9903 110.4705 52.4933 41.7883 177.9281 53 R 4.0378 8.0863 117.9941 57.0607 31.9173 177.8451 54 K 4.4738 8.9746 123.4008 56.5797 33.3178 176.2206 55 V 5.4290 8.7600 125.7284 62.2818 34.9062 173.5396 56 A 5.7377 7.9163 126.9184 52.0386 21.6669 177.0264 57 K 4.6316 8.0986 122.4510 56.6225 33.9659 176.2584 58 V 4.7463 8.5591 121.1247 61.6348 36.0271 174.0154 59 R 4.6394 8.9256 127.2151 55.1733 29.8266 175.4781 60 L 4.5494 9.1886 127.8394 54.0864 42.9576 177.8184 61 T 4.5529 7.9571 113.7506 59.5888 65.5432 173.6045 62 S 4.9111 8.0473 119.7262 58.7912 64.7501 179.8120 63 G 4.2387 8.2317 112.3943 46.7164 0.0000 174.6777 64 Y 4.3667 7.9365 117.1938 57.9294 39.2802 174.9649 65 E 5.6883 8.5233 122.5296 53.8588 32.3345 174.8080 66 V 4.7550 8.1542 118.9227 59.2759 36.7284 175.0589 67 T 4.5159 8.5145 111.6768 62.1125 70.0766 173.0224 68 A 5.0283 9.0065 124.4200 50.5318 23.1517 174.2651 69 Y 4.6627 8.9639 123.1283 56.9030 40.4926 174.9834 70 I 4.2407 7.8392 128.4760 58.9773 36.0312 173.9929 71 P 3.5914 0.0000 0.0000 62.6002 32.0778 176.9216 72 G 3.8649 8.4552 106.7303 45.1840 0.0000 173.6831 73 E 4.1294 8.5410 121.2223 55.4943 28.7369 173.9043 74 G 4.2579 8.8143 118.9052 45.6177 0.0000 171.2866 75 H 4.9026 8.2503 118.3636 55.2225 30.9074 173.3176 76 N 4.7763 8.2466 106.8453 52.8079 37.9794 173.4270 77 L 4.8539 7.4600 120.2518 53.6840 45.6129 176.1101 78 Q 4.7252 8.8885 119.9571 53.6801 32.7268 176.3336 79 E 3.9427 8.6219 118.3616 59.2094 29.9517 177.8385 80 H 4.9016 7.8588 114.1887 54.1129 27.9782 173.7668 81 S 4.6540 7.6753 114.3785 56.2418 65.5746 174.9353 82 V 4.1281 8.4325 125.6685 63.4675 32.7723 175.5327 83 V 4.7821 8.5680 124.3500 61.4093 35.1049 171.1078 84 L 5.2407 8.4794 120.7175 53.7000 45.7367 175.3774 85 I 4.9161 8.6387 124.9710 59.5723 40.3929 174.7510 86 R 5.2178 9.4504 130.3530 54.3737 32.9408 175.2853 87 G 4.1550 8.7165 107.1113 45.6044 0.0000 173.8432 88 G 4.1557 7.6624 111.6280 46.0245 0.0000 173.5649 89 R 4.3874 8.0535 112.4308 55.9448 30.9775 174.7396 90 V 4.0058 7.6149 121.9179 61.0577 30.2722 177.9295 91 K 4.4674 8.1240 134.2424 55.1399 31.3734 176.9403 92 D 4.6790 10.2918 115.1546 53.2575 44.5658 174.0779 93 L 4.9118 7.4920 119.1529 51.7545 43.8975 173.9694 94 P 4.3371 0.0000 0.0000 64.0714 31.9661 175.0541 95 G 4.2400 9.1099 114.3725 45.7179 0.0000 172.7190 96 V 3.8765 6.8131 123.0243 62.3474 30.6426 175.6313 97 R 4.3806 8.3934 125.0314 55.1923 31.0561 175.3226 98 Y 5.0854 7.7609 113.6343 57.5326 42.4359 173.5506 99 H 5.4250 9.1199 119.6848 54.3303 32.2785 173.4339 100 I 4.5518 8.4737 121.9167 60.2603 38.3509 177.9534 101 V 3.7562 8.8033 128.0809 62.3046 28.1954 172.1509 102 R 3.6770 8.1235 123.2955 58.0760 30.0856 175.7922 103 G 4.2529 7.9653 123.9664 45.4318 0.0000 171.2662 104 V 4.0949 6.8189 118.9396 62.0956 33.8287 176.6677 105 Y 3.9244 7.9315 120.2939 58.8974 34.7906 172.0347 106 D 4.0940 8.6698 123.8281 57.6532 41.1438 176.9003 107 A 4.0581 7.3406 121.2542 52.1969 18.7859 176.0601 108 A 4.7567 8.2052 122.1511 49.9094 22.1807 176.0661 109 G 4.0144 8.2112 106.3370 45.6223 0.0000 173.7285 110 V 4.1341 7.9425 121.0959 61.6969 32.4886 175.8805 111 K 3.9772 8.7747 129.4758 57.3680 33.3389 176.1508 112 D 4.3515 8.8191 125.2549 54.9753 38.7354 173.2887 113 R 4.1205 7.5022 117.6299 56.1129 30.3066 176.2234 114 K 4.6146 8.5695 122.7761 56.1770 34.9977 176.2139 115 K 4.4987 7.4124 117.3887 55.9068 30.5428 180.3157 116 S 4.2024 8.7002 123.2247 59.8879 63.1314 174.4730 117 R 4.4937 8.2376 119.6845 56.8261 33.1124 176.6007 118 S 4.0121 8.2989 114.8878 60.6064 62.5660 173.8470 119 K 4.6169 7.9248 118.7940 55.6280 34.6397 176.2968 120 Y 3.4963 7.9568 112.3638 57.9007 37.3128 170.8088 121 G 4.2266 8.2109 106.3037 46.5284 0.0000 174.4856 122 T 4.1776 7.3681 114.6093 62.0106 66.7909 174.0690 123 K 3.9304 8.1154 124.4802 55.0359 33.1148 176.8281 124 K 3.9902 8.4506 123.3411 55.4699 31.2689 174.5746 125 P 4.2036 0.0000 0.0000 62.4363 31.3775 176.3217 126 K 4.0216 8.6155 125.1375 55.7778 32.6364 175.9885 127 E 3.9641 8.7444 125.2736 57.2671 30.2725 177.0072 128 A 4.5184 7.9918 122.8232 51.2447 19.3906 176.1173 *129 A 4.1172 7.9934 128.6077 53.0572 18.9464 177.2537 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 5 P 0.00 4.31 0.00 2.19 2.13 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 7.86 4.19 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 1.26 0.00 0.00 7 I 8.30 3.65 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 1.52 0.62 0.91 0.00 0.00 8 N 8.13 4.18 0.00 2.70 2.89 0.00 0.00 6.96 7.08 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 9 Q 8.81 3.88 0.00 2.37 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.29 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 10 L 8.34 3.67 0.00 1.89 1.64 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.55 3.63 2.35 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 0.83 0.00 0.00 0.99 0.00 0.00 12 R 8.33 4.13 0.00 1.78 1.98 0.00 3.21 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 13 K 8.34 3.72 0.00 1.72 1.57 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.49 7.81 14 G 9.18 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 15 R 8.26 4.05 0.00 1.81 1.88 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 16 E 8.66 4.00 0.00 1.92 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 2.29 2.29 0.00 17 K 8.65 3.81 0.00 1.75 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 18 V 8.30 4.03 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 0.84 0.00 0.00 0.93 0.00 0.00 19 R 8.36 4.44 0.00 1.91 1.92 0.00 3.15 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 20 K 8.24 4.64 0.00 1.85 1.80 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.32 7.81 21 K 8.31 4.11 0.00 1.87 1.85 0.00 1.45 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.48 7.81 22 S 8.49 4.27 0.00 3.88 3.82 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 23 K 8.54 3.81 0.00 1.74 1.80 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.43 7.81 24 V 8.24 3.92 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 0.73 0.00 0.00 0.35 0.00 0.00 25 P 0.00 4.65 0.00 2.53 2.18 0.00 3.99 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 2.25 2.19 0.00 26 A 7.78 4.36 1.41 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 0.00 0.00 27 L 7.26 3.88 0.00 1.80 1.71 0.29 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.24 4.17 0.00 1.78 2.07 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.37 7.81 29 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 30 A 8.37 4.03 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 31 P 0.00 3.89 0.00 1.98 1.83 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 32 F 7.38 4.90 0.00 2.97 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 33 R 8.35 4.69 0.00 2.06 1.74 0.00 3.22 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 34 R 8.18 4.80 0.00 1.94 1.75 0.00 2.90 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 0.00 35 G 7.78 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 36 V 7.34 4.63 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 0.96 0.00 0.00 0.86 0.00 0.00 37 C 8.68 4.44 0.00 3.07 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 38 T 8.58 4.28 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 1.29 0.00 0.00 39 V 7.49 4.45 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 0.89 0.00 0.00 0.93 0.00 0.00 40 V 8.18 4.98 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 0.96 0.00 0.00 0.96 0.00 0.00 41 R 7.66 4.56 0.00 1.89 1.83 0.00 3.24 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 42 T 8.04 5.00 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 1.24 0.00 0.00 43 V 8.53 4.74 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 0.93 0.00 0.00 0.93 0.00 0.00 44 T 8.36 4.57 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 45 P 0.00 4.58 0.00 2.17 2.25 0.00 3.78 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 2.13 2.05 0.00 46 K 8.89 4.33 0.00 1.99 1.12 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.37 7.81 47 K 8.16 4.05 0.00 1.82 1.50 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.50 7.81 48 P 0.00 5.04 0.00 2.16 2.03 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 49 N 7.94 4.90 0.00 2.73 2.71 0.00 0.00 6.64 7.45 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 50 S 8.61 4.53 0.00 3.81 3.77 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 51 A 7.71 4.99 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 52 L 7.99 5.07 0.00 1.50 1.59 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.09 4.04 0.00 1.75 1.83 0.00 3.20 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 54 K 8.97 4.47 0.00 1.75 1.67 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.52 7.81 55 V 8.76 5.43 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 1.18 0.00 0.00 1.03 0.00 0.00 56 A 7.92 5.74 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 57 K 8.10 4.63 0.00 1.73 1.73 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.44 7.81 58 V 8.56 4.75 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 0.85 0.00 0.00 0.92 0.00 0.00 59 R 8.93 4.64 0.00 1.93 1.80 0.00 3.19 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 60 L 9.19 4.55 0.00 1.64 1.51 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.96 4.55 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 1.18 0.00 0.00 62 S 8.05 4.91 0.00 3.68 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 63 G 8.23 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 64 Y 7.94 4.37 0.00 2.85 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 65 E 8.52 5.69 0.00 1.91 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 2.16 2.17 0.00 66 V 8.15 4.75 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 0.66 0.00 0.00 0.53 0.00 0.00 67 T 8.51 4.52 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 1.24 0.00 0.00 68 A 9.01 5.03 1.26 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 69 Y 8.96 4.66 0.00 2.96 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.84 4.24 1.71 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 1.03 0.45 0.68 0.00 0.00 71 P 0.00 3.59 0.00 1.62 1.72 0.00 3.33 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.74 0.00 72 G 8.46 3.86 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 0.00 0.00 0.00 73 E 8.54 4.13 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 74 G 8.81 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 75 H 8.25 4.90 0.00 3.19 3.19 0.00 5.57 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 N 8.25 4.78 0.00 2.77 2.78 0.00 0.00 5.66 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 77 L 7.46 4.85 0.00 1.71 1.61 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.89 4.73 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.61 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 79 E 8.62 3.94 0.00 2.01 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 2.35 2.36 0.00 80 H 7.86 4.90 0.00 2.92 3.23 0.00 5.79 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.68 4.65 0.00 3.80 3.78 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 82 V 8.43 4.13 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 0.56 0.00 0.00 0.82 0.00 0.00 83 V 8.57 4.78 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 0.66 0.00 0.00 0.98 0.00 0.00 84 L 8.48 5.24 0.00 1.78 1.43 0.78 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.64 4.92 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.40 1.12 0.00 0.00 86 R 9.45 5.22 0.00 1.92 2.06 0.00 3.43 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.08 0.00 87 G 8.72 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 0.00 0.00 0.00 0.00 88 G 7.66 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 0.00 0.00 0.00 0.00 89 R 8.05 4.39 0.00 1.92 1.78 0.00 3.06 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 90 V 7.61 4.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.34 0.00 0.00 91 K 8.12 4.47 0.00 1.72 1.77 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 92 D 10.29 4.68 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 93 L 7.49 4.91 0.00 1.60 1.46 0.69 1.06 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 94 P 0.00 4.34 0.00 2.03 1.99 0.00 3.67 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 2.01 2.07 0.00 95 G 9.11 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 96 V 6.81 3.88 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 1.28 0.00 0.00 0.91 0.00 0.00 97 R 8.39 4.38 0.00 1.54 1.37 0.00 3.20 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.71 0.00 98 Y 7.76 5.09 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 99 H 9.12 5.42 0.00 3.17 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.47 4.55 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.62 0.95 0.00 0.00 101 V 8.80 3.76 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 0.61 0.00 0.00 0.70 0.00 0.00 102 R 8.12 3.68 0.00 1.66 1.65 0.00 3.40 0.00 0.00 3.24 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.42 0.00 103 G 7.97 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 0.00 0.00 0.00 0.00 104 V 6.82 4.09 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.66 0.00 0.00 105 Y 7.93 3.92 0.00 3.27 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.67 4.09 0.00 2.88 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 0.00 107 A 7.34 4.06 1.26 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 0.00 108 A 8.21 4.76 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 0.00 109 G 8.21 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 0.00 110 V 7.94 4.13 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 0.82 0.00 0.00 1.15 0.00 0.00 111 K 8.77 3.98 0.00 1.89 1.68 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.48 7.81 112 D 8.82 4.35 0.00 2.82 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 0.00 113 R 7.50 4.12 0.00 1.82 1.82 0.00 3.18 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.55 0.00 114 K 8.57 4.61 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.57 7.81 115 K 7.41 4.50 0.00 1.65 0.80 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.34 7.81 116 S 8.70 4.20 0.00 3.59 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 0.00 117 R 8.24 4.49 0.00 1.78 1.82 0.00 3.24 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 118 S 8.30 4.01 0.00 3.84 3.94 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 0.00 119 K 7.92 4.62 0.00 2.26 1.75 0.00 1.87 0.00 0.00 2.30 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.59 7.81 120 Y 7.96 3.50 0.00 3.18 3.14 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 0.00 121 G 8.21 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 0.00 122 T 7.37 4.18 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 1.39 0.00 0.00 123 K 8.12 3.93 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.42 7.81 124 K 8.45 3.99 0.00 1.68 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 125 P 0.00 4.20 0.00 2.21 2.06 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 126 K 8.62 4.02 0.00 1.71 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 127 E 8.74 3.96 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 2.29 0.00 128 A 7.99 4.52 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 *129 A 7.99 4.12 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 * Residues marked with a * may have inaccurate shift predictions.