NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4542 8.2893 118.7893 55.2278 32.9512 174.3323 2 V 3.3022 7.3034 123.7184 54.7705 34.1871 169.7436 3 V 4.1380 9.0540 123.2740 61.7279 34.1704 175.8840 4 K 4.8020 8.4383 126.4806 55.2247 34.0533 175.4021 5 A 5.1956 8.7437 124.8090 50.5084 23.2804 174.3645 6 A 4.8677 8.8566 119.5622 51.4232 23.6311 175.8084 7 G 4.6695 8.3561 104.9272 46.7199 0.0000 171.8173 8 L 5.5965 8.6051 118.8083 52.8884 45.1296 177.4459 9 V 4.0563 9.1437 124.0117 62.4975 32.1066 174.6838 10 I 4.8825 8.4965 129.8665 61.1417 38.4844 174.8302 11 Y 5.8155 9.3299 124.4385 55.3095 42.0039 174.2440 12 R 4.7120 9.2224 117.9675 54.8927 33.5656 175.0632 13 K 4.9978 8.4958 123.2015 53.5361 33.9735 176.3437 14 L 4.4409 8.3571 127.8016 53.1189 44.6048 176.4090 15 A 3.4570 9.6639 129.2920 53.3659 15.9287 177.9545 16 G 3.9233 8.5775 110.0050 47.0469 0.0000 174.8035 17 K 4.5813 7.6208 121.4327 52.7424 34.0723 180.4457 18 I 4.9176 8.0194 122.2503 59.8689 39.0446 174.5675 19 E 4.9615 8.8979 125.9807 54.5515 33.4997 174.7139 20 F 5.5561 9.3881 122.5394 55.7868 41.6225 174.7742 21 L 4.1661 8.7398 126.1809 54.6407 42.4405 175.8647 22 L 5.1562 9.1598 126.7916 52.9619 45.1050 175.4743 23 L 5.3346 9.1375 122.7197 52.9210 45.1410 175.5849 24 Q 3.5888 7.9400 124.7684 55.1630 29.0650 175.5253 25 A 4.1587 8.0083 130.7952 50.9671 20.7185 175.6608 *27 Y 4.3940 8.2311 112.9411 55.9980 39.0637 172.8640 28 P 4.0079 0.0000 0.0000 62.8904 31.8123 174.1246 29 P 4.4484 0.0000 0.0000 62.3827 31.8555 175.4948 30 H 3.6487 7.7783 113.6603 57.6742 26.1904 174.2230 31 H 4.6831 7.2951 116.1318 55.6297 30.7733 175.9080 32 W 5.1708 8.7770 120.2466 55.9569 30.3089 175.9743 33 T 4.8357 8.9257 113.6673 59.7543 72.2679 171.3386 34 P 5.0899 0.0000 0.0000 61.4208 32.5455 174.6449 35 P 4.5540 0.0000 0.0000 63.4093 32.0785 175.4398 36 K 4.6124 7.9167 121.1472 56.3764 35.4664 173.7002 37 G 4.0828 8.1044 106.6618 46.2397 0.0000 172.2068 38 H 4.7840 8.8614 117.2331 55.7164 29.2920 176.0896 39 V 3.8340 8.4812 123.8397 63.0252 32.1029 175.6299 40 D 4.8063 9.1786 127.6998 52.5087 42.7916 174.2653 41 P 4.2831 0.0000 0.0000 64.4639 31.6473 177.2344 42 G 3.9444 8.9637 109.6955 45.6916 0.0000 172.7791 43 E 4.8807 7.8049 117.8935 54.3220 32.3839 175.8232 44 D 4.8996 8.8533 122.0639 51.9499 42.9479 177.2327 45 E 4.1139 8.7860 117.9477 59.4052 29.4111 179.3557 46 W 3.5328 8.4490 127.7262 60.5299 30.8523 177.7864 47 Q 4.0133 9.1686 118.1264 59.0542 28.0809 178.9057 48 A 4.0023 8.2798 121.4793 54.9684 18.4991 179.5241 49 A 3.9432 8.2830 119.5395 55.3082 18.4786 179.9808 50 I 3.4581 7.2949 117.7303 64.4991 37.2156 178.6644 51 R 3.8595 7.9578 119.4821 59.5666 29.4045 178.4316 52 E 4.0462 8.5257 118.5427 59.4189 29.4126 179.4734 53 T 3.9188 7.8204 115.9488 66.1820 68.5195 176.6440 54 K 4.0858 7.8443 122.8597 59.1257 32.0657 178.7607 55 E 3.9573 8.0144 117.2924 59.2369 29.4530 178.5733 56 E 4.2780 8.3954 117.0626 57.6122 29.9180 177.5379 57 A 4.4418 8.0115 118.3633 50.4735 19.9586 176.2751 58 N 4.1896 7.8683 113.8644 54.4791 37.7927 173.4363 59 I 4.5784 7.0707 113.6859 59.1326 39.4653 175.5692 60 T 4.3942 8.5988 117.4806 60.0691 71.1982 176.4591 61 K 3.8768 8.5474 123.6918 57.6958 31.6977 179.5135 62 E 4.1578 8.0628 115.6093 58.2640 29.8068 177.4050 63 Q 4.2823 8.2999 118.4453 56.4976 29.2848 174.9381 64 L 5.2726 7.7752 117.5546 53.0636 45.4954 176.2438 65 T 4.4837 8.4968 118.3898 62.0392 70.5875 173.4451 66 I 4.4269 8.2648 127.9084 60.5312 38.7297 176.2645 67 H 4.6972 9.6113 127.8427 55.1130 27.5137 176.2749 68 E 4.3349 9.1249 123.9165 59.6504 29.6565 176.7692 69 D 4.7908 8.2225 114.3740 53.5140 40.3208 178.3737 70 C 4.3234 8.1292 120.3998 58.6382 31.9014 172.2534 71 H 5.3543 7.9960 120.4094 54.5757 31.1776 172.4601 72 E 4.8207 8.8905 117.9073 55.7887 34.4518 174.3102 73 T 5.1673 8.5337 118.2046 61.9748 71.4491 173.5068 74 L 4.9553 9.3711 126.2256 53.2492 44.8884 175.4312 75 F 5.5466 9.0051 120.2293 56.3511 41.1680 174.3983 76 Y 4.6711 9.7539 122.8404 56.5404 39.8866 174.8603 77 E 4.9116 9.1068 126.2856 54.4868 29.5363 173.8722 78 A 4.3331 8.1347 128.6747 52.0123 20.7717 176.3525 79 K 3.9758 8.9436 122.0978 55.9013 29.0483 174.0382 80 G 3.9868 8.6652 111.5403 46.6711 0.0000 175.0563 81 K 4.3319 7.4784 120.1999 51.9053 31.1762 178.3562 82 P 4.6226 0.0000 0.0000 62.6589 32.5825 175.3688 83 K 5.0803 9.0730 124.3374 55.0058 36.2754 174.5898 84 S 5.2436 8.7956 121.1592 56.5560 66.1132 173.1575 85 V 4.5656 9.1284 122.0952 61.1190 34.3299 173.8624 86 K 4.8210 8.7087 130.3100 55.3327 33.8537 174.6518 87 Y 6.0275 8.9760 125.0155 55.4058 41.1968 174.8135 88 W 5.3663 9.1543 122.0063 54.7846 33.0869 174.4862 89 L 5.0002 8.2807 124.5680 54.8234 43.0278 175.5195 90 A 5.2186 9.3198 126.9218 50.2792 23.0178 174.6190 91 K 3.6263 8.8503 124.2112 54.9402 33.9245 175.5376 92 L 4.4414 8.3625 130.7142 54.5440 41.4527 176.0214 93 N 4.3440 8.7516 125.6108 55.5048 39.4339 175.1526 94 N 4.7428 7.9345 118.3525 50.7150 39.0108 172.5852 95 P 4.2947 0.0000 0.0000 64.4110 31.6640 177.3311 96 D 4.6020 8.1264 116.8520 55.1985 40.9788 176.5399 97 D 4.7490 7.8899 118.5859 51.9918 41.2342 173.5298 98 V 4.4952 7.7153 113.6672 59.3668 35.8421 176.1447 99 Q 4.4813 8.4349 123.8589 54.1050 27.9898 174.5605 100 L 4.2316 7.3965 120.1690 52.5351 43.5237 177.0232 101 S 4.4339 8.2791 117.3381 59.5456 63.3298 174.7196 102 H 4.8093 8.2389 118.6452 54.3163 29.7292 172.8113 *106 N 4.7699 8.2958 121.2651 51.5674 39.5905 173.7905 107 W 6.0513 7.5589 114.1229 56.2052 31.7255 173.8877 108 K 4.8057 9.3600 118.9415 55.0423 36.5688 175.0755 109 W 5.3078 8.9894 123.6200 55.8459 30.7160 175.5852 110 C 4.9621 9.2668 121.7396 57.7991 31.7537 174.2036 111 E 4.6322 8.9664 122.1348 55.3715 30.1747 177.3412 112 L 4.0932 8.8810 121.5866 59.1134 42.0258 179.1415 113 E 3.9772 8.2211 117.4109 59.6944 29.6181 179.1128 114 D 4.3739 8.0968 118.1173 57.0044 41.0034 178.5093 115 A 4.0053 8.2733 121.7798 55.1163 18.3910 179.7364 116 I 3.6603 8.0476 120.8290 64.9650 36.9584 179.2689 117 K 3.8965 7.6330 123.1531 59.7957 31.6390 180.3822 118 I 4.1637 7.3483 111.5160 62.3573 37.9437 177.5793 119 A 4.2534 8.0570 122.4196 53.0803 19.0818 176.8060 120 D 4.1920 8.0471 116.2189 54.3853 40.3706 174.9899 121 Y 4.7690 7.4438 119.8688 55.4327 41.7494 173.0190 122 A 3.8755 8.7096 132.8944 56.2598 18.4080 179.5551 123 E 3.6452 6.7690 115.7941 61.1279 29.6612 180.6076 124 M 4.1915 7.4595 118.4940 58.3464 32.3965 178.2818 125 G 3.5305 7.9310 105.9159 48.0430 0.0000 175.8237 126 S 4.0269 7.8876 117.6275 60.9485 62.7503 176.5669 127 L 3.6167 7.6526 123.0344 58.0416 41.8266 179.0327 128 L 3.4876 7.7488 119.1376 57.6426 41.4504 179.7810 129 R 3.9895 7.9517 120.4952 59.6555 29.9671 179.7812 130 K 4.0462 8.0144 123.4795 60.0752 31.7358 181.1654 131 F 4.7891 8.4091 119.2688 60.3861 38.5160 178.1300 132 S 4.3182 8.1581 114.2622 61.5474 62.8643 176.1954 133 A 4.1651 8.2808 123.5986 54.8839 17.8801 179.3239 134 F 4.0211 8.1223 118.4129 61.6684 39.5668 177.2379 135 L 3.9573 8.0650 116.6177 57.2604 41.3898 177.6310 136 A 4.2734 7.4846 124.3811 52.2727 18.6429 176.8804 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 8.29 4.45 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 V 7.30 3.30 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 0.71 0.00 0.00 0.78 0.00 0.00 3 V 9.05 4.14 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 0.70 0.00 0.00 0.86 0.00 0.00 4 K 8.44 4.80 0.00 1.70 1.66 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.37 7.81 5 A 8.74 5.20 1.09 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 6 A 8.86 4.87 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.36 4.67 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 8 L 8.61 5.60 0.00 1.60 1.69 0.81 0.86 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 9 V 9.14 4.06 2.56 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 1.22 0.00 0.00 0.80 0.00 0.00 10 I 8.50 4.88 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.04 1.10 0.00 0.00 11 Y 9.33 5.82 0.00 3.00 3.05 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 12 R 9.22 4.71 0.00 1.46 1.50 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.09 0.00 13 K 8.50 5.00 0.00 1.53 1.64 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 0.96 7.81 14 L 8.36 4.44 0.00 1.47 1.35 0.83 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 15 A 9.66 3.46 1.31 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 0.00 0.00 0.00 16 G 8.58 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 17 K 7.62 4.58 0.00 1.70 1.67 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.25 7.81 18 I 8.02 4.92 1.77 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.22 0.46 0.00 0.00 19 E 8.90 4.96 0.00 1.94 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 0.00 2.27 2.24 0.00 20 F 9.39 5.56 0.00 3.10 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 21 L 8.74 4.17 0.00 0.50 1.34 -0.01 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 22 L 9.16 5.16 0.00 1.74 1.85 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.14 5.33 0.00 1.51 1.51 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 7.94 3.59 0.00 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 1.70 1.16 0.00 25 A 8.01 4.16 0.71 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 0.00 0.00 *27 Y 8.23 4.39 0.00 3.12 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 28 P 0.00 4.01 0.00 2.05 1.99 0.00 3.99 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 29 P 0.00 4.45 0.00 1.96 2.06 0.00 3.43 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.03 0.00 30 H 7.78 3.65 0.00 3.16 3.23 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.30 4.68 0.00 3.05 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.78 5.17 0.00 3.30 3.18 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 33 T 8.93 4.84 4.44 0.00 0.00 0.00 0.00 0.00 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 34 P 0.00 5.09 0.00 2.10 2.17 0.00 3.75 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 1.62 2.01 0.00 35 P 0.00 4.55 0.00 2.16 2.21 0.00 4.01 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 2.26 1.99 0.00 36 K 7.92 4.61 0.00 1.65 1.90 0.00 1.94 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.27 7.81 37 G 8.10 4.08 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 0.00 0.00 0.00 38 H 8.86 4.78 0.00 2.97 3.20 0.00 5.72 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 39 V 8.48 3.83 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 0.75 0.00 0.00 0.98 0.00 0.00 40 D 9.18 4.81 0.00 2.80 2.56 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 0.00 0.00 0.00 0.00 41 P 0.00 4.28 0.00 2.03 2.00 0.00 3.74 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 2.03 2.09 0.00 42 G 8.96 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 0.00 0.00 0.00 43 E 7.80 4.88 0.00 2.11 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 44 D 8.85 4.90 0.00 2.98 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 45 E 8.79 4.11 0.00 2.38 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 2.48 2.47 0.00 46 W 8.45 3.53 0.00 3.00 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 47 Q 9.17 4.01 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 48 A 8.28 4.00 1.49 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 0.00 0.00 0.00 49 A 8.28 3.94 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 50 I 7.29 3.46 1.80 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.12 0.79 0.00 0.00 51 R 7.96 3.86 0.00 1.86 2.03 0.00 3.08 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 52 E 8.53 4.05 0.00 2.07 1.99 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 2.44 2.68 0.00 53 T 7.82 3.92 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 1.25 0.00 0.00 54 K 7.84 4.09 0.00 1.78 1.97 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 55 E 8.01 3.96 0.00 1.98 1.99 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 2.33 2.47 0.00 56 E 8.40 4.28 0.00 2.02 1.99 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 2.39 2.61 0.00 57 A 8.01 4.44 1.22 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 0.00 0.00 0.00 58 N 7.87 4.19 0.00 2.79 2.93 0.00 0.00 6.98 8.22 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 59 I 7.07 4.58 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.94 0.00 0.00 60 T 8.60 4.39 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 1.18 0.00 0.00 61 K 8.55 3.88 0.00 1.70 1.87 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.01 7.81 62 E 8.06 4.16 0.00 2.05 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 0.00 2.26 2.27 0.00 63 Q 8.30 4.28 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 64 L 7.78 5.27 0.00 1.55 1.47 0.86 0.73 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 65 T 8.50 4.48 4.20 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 1.21 0.00 0.00 66 I 8.26 4.43 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.37 0.66 0.00 0.00 67 H 9.61 4.70 0.00 3.19 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.12 4.33 0.00 1.98 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 0.00 2.23 1.89 0.00 69 D 8.22 4.79 0.00 2.69 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 70 C 8.13 4.32 0.00 1.23 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 0.00 0.00 0.00 71 H 8.00 5.35 0.00 2.67 2.40 0.00 5.81 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 72 E 8.89 4.82 0.00 1.90 1.82 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 2.50 2.39 0.00 73 T 8.53 5.17 4.45 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 1.35 0.00 0.00 74 L 9.37 4.96 0.00 2.01 1.72 1.12 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 F 9.01 5.55 0.00 2.80 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 76 Y 9.75 4.67 0.00 2.81 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 77 E 9.11 4.91 0.00 2.06 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 2.25 2.35 0.00 78 A 8.13 4.33 1.31 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 0.00 0.00 0.00 79 K 8.94 3.98 0.00 1.98 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 0.99 7.81 80 G 8.67 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 81 K 7.48 4.33 0.00 1.78 1.65 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.29 1.01 7.81 82 P 0.00 4.62 0.00 2.04 2.04 0.00 3.54 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 83 K 9.07 5.08 0.00 1.82 1.56 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.55 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.17 1.41 7.81 84 S 8.80 5.24 0.00 3.69 3.54 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 0.00 0.00 0.00 0.00 85 V 9.13 4.57 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 0.44 0.00 0.00 0.52 0.00 0.00 86 K 8.71 4.82 0.00 1.80 1.58 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.59 1.04 7.81 87 Y 8.98 6.03 0.00 3.06 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 88 W 9.15 5.37 0.00 3.24 2.93 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 89 L 8.28 5.00 0.00 0.83 1.21 1.30 0.94 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 90 A 9.32 5.22 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 91 K 8.85 3.63 0.00 1.64 1.52 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.71 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 0.47 7.81 92 L 8.36 4.44 0.00 1.74 1.53 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 93 N 8.75 4.34 0.00 2.64 2.82 0.00 0.00 6.74 7.98 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 94 N 7.93 4.74 0.00 2.72 2.64 0.00 0.00 7.21 7.71 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 95 P 0.00 4.29 0.00 1.91 1.78 0.00 3.64 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 1.87 1.91 0.00 96 D 8.13 4.60 0.00 2.77 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 97 D 7.89 4.75 0.00 2.55 2.49 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 0.00 98 V 7.72 4.50 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 0.81 0.00 0.00 0.93 0.00 0.00 99 Q 8.43 4.48 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 100 L 7.40 4.23 0.00 0.57 0.13 -0.13 0.59 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 0.00 101 S 8.28 4.43 0.00 4.08 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 0.00 102 H 8.24 4.81 0.00 3.19 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 N 8.30 4.77 0.00 2.67 3.00 0.00 0.00 5.63 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.56 6.05 0.00 3.36 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 0.00 108 K 9.36 4.81 0.00 1.55 1.59 0.00 1.39 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.33 1.33 7.81 109 W 8.99 5.31 0.00 3.27 3.17 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 0.00 110 C 9.27 4.96 0.00 2.98 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 0.00 111 E 8.97 4.63 0.00 2.08 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 2.59 2.30 0.00 112 L 8.88 4.09 0.00 1.97 1.80 0.91 0.93 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 0.00 113 E 8.22 3.98 0.00 2.11 1.99 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 2.41 2.47 0.00 114 D 8.10 4.37 0.00 2.82 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 0.00 115 A 8.27 4.01 1.47 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 0.00 116 I 8.05 3.66 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.86 0.00 0.00 117 K 7.63 3.90 0.00 1.89 1.74 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.33 7.81 118 I 7.35 4.16 1.35 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 1.20 0.79 0.72 0.00 0.00 119 A 8.06 4.25 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 0.00 120 D 8.05 4.19 0.00 2.91 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 0.00 121 Y 7.44 4.77 0.00 3.04 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 0.00 122 A 8.71 3.88 1.13 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 0.00 0.00 123 E 6.77 3.65 0.00 1.99 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 2.31 1.93 0.00 124 M 7.46 4.19 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 125 G 7.93 3.53 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 0.00 126 S 7.89 4.03 0.00 3.86 3.79 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 0.00 127 L 7.65 3.62 0.00 1.54 1.47 0.75 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.75 3.49 0.00 1.55 1.22 0.66 0.32 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 0.00 129 R 7.95 3.99 0.00 1.96 1.95 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 130 K 8.01 4.05 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 131 F 8.41 4.79 0.00 3.02 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 0.00 132 S 8.16 4.32 0.00 4.10 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 0.00 133 A 8.28 4.17 1.42 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 0.00 134 F 8.12 4.02 0.00 3.05 3.28 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 0.00 135 L 8.06 3.96 0.00 1.83 1.64 0.33 0.46 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 0.00 136 A 7.48 4.27 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 * Residues marked with a * may have inaccurate shift predictions.