NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -7 S 4.3767 8.2929 117.1049 57.7266 63.9842 173.9256 -6 S 4.2302 8.3934 118.4515 58.0491 63.0715 172.6353 -5 S 4.5512 8.1157 114.8196 58.2249 66.9072 171.5324 -4 K 4.6328 7.3663 119.5582 56.8141 36.0090 173.7426 -3 V 4.6179 6.9088 117.4961 63.1106 31.7532 173.3687 *-2 Y 4.0864 9.1270 119.0411 61.1768 36.8913 176.5015 -1 K 4.6353 7.6026 120.3236 52.8373 33.6624 179.3638 0 M 4.2124 8.4533 116.2991 59.7569 32.0308 177.2317 1 C 4.8837 7.7835 114.9838 60.5480 29.0557 172.7250 2 D 4.9823 8.9965 119.1340 54.9673 38.9520 176.2024 3 A 4.0540 7.3237 120.9970 54.2563 18.3954 178.1839 4 F 4.7615 8.0516 112.5570 58.2315 40.3204 176.5523 5 V 3.9737 7.8554 121.0128 61.7089 32.0297 176.2986 6 G 3.7180 7.4669 114.2152 44.9780 0.0000 170.5275 7 T 4.9761 7.6165 116.2300 61.5426 71.1796 173.8614 8 W 5.6228 9.3303 125.7989 54.6669 33.2189 174.4884 9 K 5.1226 9.4106 122.6773 54.7681 35.2832 175.1777 10 L 3.8750 8.2623 125.3742 55.2039 42.0401 176.7782 11 V 4.4489 8.1629 123.8843 62.6762 33.9720 175.5408 12 S 4.6504 7.5232 113.0373 57.2978 66.3481 173.2389 13 S 4.9450 8.2513 114.1349 57.0868 65.5504 172.9132 14 E 4.5937 8.7948 124.7792 55.5147 34.2078 175.2780 15 N 4.0860 8.9882 119.2251 54.3687 36.7401 176.2128 16 F 4.6680 8.1791 123.6539 60.4764 39.5183 176.3227 17 D 4.0627 8.0775 117.4097 57.3971 41.0773 177.8426 18 D 4.3389 8.0373 118.8124 57.4491 40.7582 177.9219 19 Y 4.1649 8.1002 119.9619 61.1906 38.9588 178.2333 20 M 3.6567 7.9189 119.4491 57.9547 32.0663 178.6836 21 K 3.9130 7.8797 119.9614 59.3771 32.1083 178.6385 22 E 4.1268 7.7056 117.5993 58.7288 29.5233 178.7759 23 V 3.9513 7.0165 117.7589 63.8613 31.6068 176.7681 24 G 4.0869 7.3469 104.7828 44.9564 0.0000 173.7810 25 V 3.6125 7.3123 119.3361 62.4579 32.1995 176.8872 26 G 3.9061 8.4013 112.8866 43.9168 0.0000 174.3555 27 F 3.9254 8.8177 122.6031 61.2791 38.8708 177.2187 28 A 4.0977 8.2625 119.5790 55.7411 18.1505 179.5856 29 T 3.8655 7.8661 113.5668 66.8029 68.5207 176.9038 30 R 3.6764 8.0352 122.4432 59.5983 29.7572 179.8400 *31 K 3.9625 7.2306 122.7135 59.8523 31.7400 181.3593 32 V 3.8849 7.3560 118.7258 65.5881 30.9090 178.0745 33 A 3.2768 7.8121 120.9336 54.6592 17.9135 179.7877 34 G 3.7889 8.0668 103.2044 47.1345 0.0000 174.8130 35 M 4.4389 7.2138 118.0653 55.2141 32.4469 176.6309 36 A 4.1675 7.7639 122.6279 52.6041 19.4035 178.1496 37 K 3.7203 7.9661 110.1134 57.4653 30.8974 172.2773 38 P 4.8233 0.0000 0.0000 63.5611 33.6658 175.6900 39 N 5.2464 8.9064 118.3726 52.4321 40.8631 173.7875 40 M 5.0918 9.4124 122.6488 53.8642 35.2548 174.1961 41 I 4.9822 9.1126 127.5185 59.8292 40.1084 174.4710 42 I 5.1614 8.8526 128.8394 59.6639 39.6794 175.2189 43 S 4.9708 9.1215 120.0845 57.1485 67.0141 172.8886 44 V 4.7450 8.1657 119.2414 61.2677 34.8910 174.4826 45 N 4.7109 8.9217 125.4110 52.3082 41.1460 174.3022 46 G 3.8136 8.3106 118.3643 46.8902 0.0000 174.0626 47 D 4.4157 8.7272 123.5859 54.0912 39.9457 175.6791 48 L 4.3423 7.6543 123.8862 54.1225 43.5562 175.1961 49 V 4.5272 7.8184 126.0947 61.2537 34.2143 174.3064 50 T 5.0769 8.7515 123.3582 61.7725 72.3423 172.8016 51 I 4.8569 8.6838 126.8663 59.6632 40.0220 174.4009 52 R 5.1098 9.2549 128.4269 54.5656 32.6972 174.6833 53 S 5.2754 8.8797 119.5906 56.6188 66.1486 172.4538 54 E 5.4010 9.3950 125.2469 53.9428 33.4743 174.8905 55 S 4.7851 8.3329 117.0211 58.0222 65.8486 175.1173 56 T 4.0170 8.7388 109.4213 64.6611 68.6830 175.6172 57 F 4.5097 7.9137 124.2681 60.1182 39.4761 174.7816 58 K 4.2987 7.5441 117.6916 55.1878 35.8459 174.2237 59 N 5.3476 8.5605 119.3556 52.0815 40.5765 174.1058 60 T 4.9396 8.5366 113.5843 60.0436 72.9137 172.6378 61 E 5.2685 8.4872 121.4184 55.1815 32.6820 173.8900 62 I 4.7443 8.7997 120.5160 59.2444 40.6820 174.5874 63 S 5.2252 8.2256 119.8628 56.9111 66.1431 173.1365 64 F 4.3806 7.9950 116.5064 56.0599 41.2550 172.7209 65 K 4.7811 8.2513 119.1069 54.2349 34.6099 176.1012 66 L 4.2959 8.6172 123.6654 56.8721 41.9417 177.7975 67 G 3.9170 9.2211 111.0805 45.5383 0.0000 173.0929 68 V 4.3480 7.5062 118.9723 60.2012 33.3143 174.8972 69 E 4.4898 8.8979 128.6707 57.0873 30.0842 175.7395 70 F 5.1373 8.6333 119.5714 55.5227 41.9183 173.0821 71 D 5.0457 8.8005 119.8218 54.1742 42.0044 175.6902 72 E 4.6781 8.9296 122.4930 54.9255 33.5839 173.8643 73 I 4.7432 8.4028 128.2090 59.8726 38.1673 175.8308 74 T 4.0738 8.5900 118.1637 60.7336 69.4543 175.4029 75 A 3.9545 8.5855 124.5296 54.6837 18.3786 178.1081 76 D 4.8332 8.0133 112.7743 53.0250 39.6466 176.1053 77 D 4.4772 8.0493 117.0654 55.5976 38.8251 174.2868 78 R 3.8279 7.4267 118.7720 55.9791 30.4576 175.4832 79 K 4.8063 8.3887 123.5906 55.1681 33.3286 175.6219 80 V 4.8214 8.7502 120.2976 59.5761 36.4822 174.5033 81 K 4.9053 8.8164 121.6671 55.1431 34.2016 176.0131 82 S 4.9789 8.4461 120.1735 56.5301 66.9625 172.8966 83 I 4.9435 8.3513 123.1039 59.2873 41.3689 173.8487 84 I 5.1311 8.4887 129.0235 59.7750 40.7065 174.5008 85 T 5.0804 8.8685 115.7889 59.9473 73.1394 172.2597 86 L 5.0222 8.4774 123.2932 53.4975 43.7313 175.4312 87 D 4.4486 9.0432 127.2146 53.5764 43.3978 175.1150 88 G 3.7056 9.8116 115.4495 46.6083 0.0000 174.1055 89 G 3.9912 8.7963 105.6409 45.7442 0.0000 174.0103 90 A 4.9509 7.6330 121.7325 50.4894 21.8319 176.4621 91 L 4.5477 8.1378 120.4023 53.9733 43.0712 176.1496 92 V 4.6212 8.6420 125.1438 61.0438 33.9976 173.8786 93 Q 4.9768 9.2516 129.9487 54.3152 31.4384 173.9927 94 V 4.7992 8.5993 126.7531 61.3433 33.9893 174.0891 95 Q 5.1477 9.1346 127.0641 54.1166 31.3506 174.6161 96 K 5.3796 8.9226 123.7581 54.5115 35.4142 175.2240 97 W 4.8995 9.0445 118.5547 56.1332 31.7790 174.0252 98 D 4.3133 9.8806 119.9875 55.4591 38.0098 175.1951 99 G 3.9157 8.1075 107.5740 45.6750 0.0000 174.4794 100 K 4.0235 7.2057 119.6110 55.7987 33.0411 175.3777 101 S 5.1915 7.4329 112.4970 57.9490 65.3855 173.6765 102 T 5.0780 9.2589 115.6896 60.9906 71.6825 172.4063 103 T 5.0575 8.8208 121.3067 61.8628 72.4398 172.9681 104 I 4.6674 9.0552 127.9677 59.5388 39.5981 174.4105 105 K 4.8103 9.1740 129.8853 54.7254 34.3283 175.0101 106 R 5.1266 9.1629 127.3052 54.3295 32.3529 175.2275 107 K 5.2072 9.2349 123.1898 55.1788 36.5840 175.4495 108 R 4.7470 8.4704 119.7045 55.4245 31.9996 176.6213 109 D 4.3199 9.1013 122.7785 53.8444 43.1588 175.3358 110 G 3.7353 8.4066 119.9924 46.7995 0.0000 172.6308 111 D 4.7217 8.8710 123.9601 53.7747 39.8652 176.1226 112 K 4.9569 8.0675 120.1373 55.0411 35.0939 174.8612 113 L 4.6410 8.5235 125.8676 53.5971 43.6821 175.1221 114 V 4.7582 9.0459 126.9689 61.1038 34.1209 174.1377 115 V 4.7484 8.9328 128.6975 61.3687 33.5633 173.9238 116 E 5.0668 9.2682 128.4013 54.7551 32.0882 174.7507 117 C 5.1293 8.6872 122.2586 57.7463 31.1795 173.1396 118 V 4.9418 8.8153 123.3587 61.3278 34.7094 174.1102 119 M 4.7017 9.1910 127.1647 54.1426 35.3090 174.9890 120 K 3.7062 9.9600 128.1728 57.4388 29.9910 175.7635 121 G 4.0299 8.3960 106.7104 45.3877 0.0000 174.2196 122 V 3.8566 7.7351 120.6262 62.6280 31.9253 174.3019 123 T 5.1683 8.4645 121.5695 60.3946 69.4717 172.7276 124 S 5.0608 8.8895 123.3139 57.0984 65.5732 172.7067 125 T 4.9851 8.5829 120.4462 61.8945 72.3343 173.1437 126 R 4.8937 9.1218 125.1600 54.3097 34.0492 174.3531 127 V 4.7636 8.2145 123.8815 61.4007 33.8536 174.0614 128 Y 5.4496 9.2456 125.1031 56.1925 41.8964 174.2648 129 E 5.5847 9.0751 119.1400 54.3446 33.8168 175.0817 130 R 4.0170 8.5668 118.7253 55.7967 30.9324 177.0241 131 A 4.1180 8.1417 124.5473 52.5422 18.3927 177.4633 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 -7 S 8.29 4.38 0.00 3.67 3.81 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 0.00 0.00 0.00 -6 S 8.39 4.23 0.00 3.71 3.71 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 -5 S 8.12 4.55 0.00 3.57 3.61 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 -4 K 7.37 4.63 0.00 1.88 1.75 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.13 0.72 7.81 -3 V 6.91 4.62 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 0.87 0.00 0.00 0.93 0.00 0.00 *-2 Y 9.13 4.09 0.00 2.33 2.24 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 -1 K 7.60 4.64 0.00 1.74 1.72 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.26 7.81 0 M 8.45 4.21 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 1 C 7.78 4.88 0.00 3.04 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 2 D 9.00 4.98 0.00 2.94 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 3 A 7.32 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.05 4.76 0.00 3.12 3.10 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 0.00 0.00 0.00 5 V 7.86 3.97 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 0.85 0.00 0.00 1.10 0.00 0.00 6 G 7.47 3.72 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 0.00 0.00 0.00 7 T 7.62 4.98 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 1.21 0.00 0.00 8 W 9.33 5.62 0.00 3.27 3.21 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 9 K 9.41 5.12 0.00 1.82 1.96 0.00 1.34 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 10 L 8.26 3.87 0.00 1.45 1.45 0.18 0.68 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 11 V 8.16 4.45 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 0.78 0.00 0.00 0.98 0.00 0.00 12 S 7.52 4.65 0.00 3.82 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 13 S 8.25 4.94 0.00 3.67 3.64 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 14 E 8.79 4.59 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 2.22 2.26 0.00 15 N 8.99 4.09 0.00 3.04 2.93 0.00 0.00 6.79 8.13 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 16 F 8.18 4.67 0.00 3.05 3.08 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 17 D 8.08 4.06 0.00 2.75 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.04 4.34 0.00 2.93 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 19 Y 8.10 4.16 0.00 3.12 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 20 M 7.92 3.66 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.10 0.00 21 K 7.88 3.91 0.00 1.94 1.91 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.47 7.81 22 E 7.71 4.13 0.00 2.06 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 2.34 2.47 0.00 23 V 7.02 3.95 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 0.66 0.00 0.00 0.43 0.00 0.00 24 G 7.35 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 25 V 7.31 3.61 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 0.68 0.00 0.00 0.82 0.00 0.00 26 G 8.40 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 27 F 8.82 3.93 0.00 3.15 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 28 A 8.26 4.10 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 29 T 7.87 3.87 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 1.30 0.00 0.00 30 R 8.04 3.68 0.00 1.84 1.66 0.00 3.02 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.40 0.00 *31 K 7.23 3.96 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.32 7.81 32 V 7.36 3.88 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 1.11 0.00 0.00 0.98 0.00 0.00 33 A 7.81 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.07 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 0.00 0.00 0.00 35 M 7.21 4.44 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 36 A 7.76 4.17 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 37 K 7.97 3.72 0.00 1.92 1.82 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.42 7.81 38 P 0.00 4.82 0.00 2.29 2.33 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 39 N 8.91 5.25 0.00 2.84 2.85 0.00 0.00 6.71 6.96 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 40 M 9.41 5.09 0.00 1.75 1.53 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 41 I 9.11 4.98 1.91 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 1.27 0.56 0.94 0.00 0.00 42 I 8.85 5.16 2.33 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 1.34 0.99 1.02 0.00 0.00 43 S 9.12 4.97 0.00 3.81 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 44 V 8.17 4.75 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 0.82 0.00 0.00 0.92 0.00 0.00 45 N 8.92 4.71 0.00 2.67 2.58 0.00 0.00 6.89 8.71 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 46 G 8.31 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.73 4.42 0.00 2.74 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 48 L 7.65 4.34 0.00 1.73 1.55 0.84 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.82 4.53 0.67 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 0.80 0.00 0.00 0.64 0.00 0.00 50 T 8.75 5.08 4.19 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 0.00 0.00 0.00 1.25 0.00 0.00 51 I 8.68 4.86 1.98 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 1.19 1.28 0.92 0.00 0.00 52 R 9.25 5.11 0.00 2.00 1.78 0.00 3.04 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 53 S 8.88 5.28 0.00 3.94 3.68 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 54 E 9.40 5.40 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 2.24 2.11 0.00 55 S 8.33 4.79 0.00 3.96 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 56 T 8.74 4.02 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 1.25 0.00 0.00 57 F 7.91 4.51 0.00 2.91 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 58 K 7.54 4.30 0.00 0.91 1.36 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.19 0.92 7.81 59 N 8.56 5.35 0.00 2.60 2.73 0.00 0.00 6.45 7.05 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 60 T 8.54 4.94 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 61 E 8.49 5.27 0.00 1.97 1.83 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 2.21 2.31 0.00 62 I 8.80 4.74 2.03 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 1.46 0.81 1.06 0.00 0.00 63 S 8.23 5.23 0.00 3.66 3.64 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 64 F 7.99 4.38 0.00 2.30 1.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.25 4.78 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.42 7.81 66 L 8.62 4.30 0.00 1.69 1.71 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.22 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 68 V 7.51 4.35 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 0.88 0.00 0.00 1.03 0.00 0.00 69 E 8.90 4.49 0.00 2.05 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 2.24 2.29 0.00 70 F 8.63 5.14 0.00 3.14 3.09 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 71 D 8.80 5.05 0.00 2.65 2.66 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 0.00 0.00 0.00 0.00 72 E 8.93 4.68 0.00 1.99 1.61 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 2.21 2.40 0.00 73 I 8.40 4.74 1.86 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 1.40 0.97 0.88 0.00 0.00 74 T 8.59 4.07 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 1.01 0.00 0.00 75 A 8.59 3.95 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 76 D 8.01 4.83 0.00 2.80 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 77 D 8.05 4.48 0.00 2.86 2.81 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 0.00 0.00 0.00 78 R 7.43 3.83 0.00 1.36 1.17 0.00 2.21 0.00 0.00 2.65 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.27 0.00 79 K 8.39 4.81 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.44 7.81 80 V 8.75 4.82 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 0.38 0.00 0.00 0.83 0.00 0.00 81 K 8.82 4.91 0.00 1.65 1.78 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.54 7.81 82 S 8.45 4.98 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 83 I 8.35 4.94 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.59 0.88 0.00 0.00 84 I 8.49 5.13 1.43 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.45 0.72 0.00 0.00 85 T 8.87 5.08 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 86 L 8.48 5.02 0.00 1.66 1.64 1.09 1.14 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 87 D 9.04 4.45 0.00 2.65 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 88 G 9.81 3.71 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 0.00 89 G 8.80 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 90 A 7.63 4.95 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 91 L 8.14 4.55 0.00 1.17 1.36 0.43 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.64 4.62 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 0.92 0.00 0.00 0.91 0.00 0.00 93 Q 9.25 4.98 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 94 V 8.60 4.80 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 0.93 0.00 0.00 0.93 0.00 0.00 95 Q 9.13 5.15 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 96 K 8.92 5.38 0.00 1.68 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 97 W 9.04 4.90 0.00 3.49 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 98 D 9.88 4.31 0.00 2.51 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 99 G 8.11 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 0.00 100 K 7.21 4.02 0.00 0.79 0.84 0.00 1.08 0.00 0.00 1.29 0.00 0.00 2.94 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.08 1.06 7.81 101 S 7.43 5.19 0.00 3.84 3.71 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 0.00 102 T 9.26 5.08 4.59 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 1.45 0.00 0.00 103 T 8.82 5.06 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 0.00 104 I 9.06 4.67 1.84 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 1.12 0.73 0.85 0.00 0.00 105 K 9.17 4.81 0.00 1.74 1.62 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 R 9.16 5.13 0.00 1.58 1.66 0.00 2.93 0.00 0.00 3.02 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 107 K 9.23 5.21 0.00 1.78 1.90 0.00 1.31 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.39 7.81 108 R 8.47 4.75 0.00 1.56 1.78 0.00 3.05 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.15 0.00 109 D 9.10 4.32 0.00 2.62 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 0.00 110 G 8.41 3.74 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 0.00 0.00 0.00 111 D 8.87 4.72 0.00 2.85 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 0.00 112 K 8.07 4.96 0.00 1.85 1.77 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.53 7.81 113 L 8.52 4.64 0.00 0.27 0.81 -0.28 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.05 4.76 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 0.89 0.00 0.00 0.92 0.00 0.00 115 V 8.93 4.75 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 0.93 0.00 0.00 0.86 0.00 0.00 116 E 9.27 5.07 0.00 1.85 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 2.19 2.22 0.00 117 C 8.69 5.13 0.00 1.60 1.63 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 0.00 118 V 8.82 4.94 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 0.99 0.00 0.00 0.93 0.00 0.00 119 M 9.19 4.70 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 120 K 9.96 3.71 0.00 1.89 1.82 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 121 G 8.40 4.03 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 0.00 0.00 0.00 122 V 7.74 3.86 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 1.02 0.00 0.00 0.97 0.00 0.00 123 T 8.46 5.17 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 0.00 124 S 8.89 5.06 0.00 4.22 3.49 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 0.00 125 T 8.58 4.99 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 1.18 0.00 0.00 126 R 9.12 4.89 0.00 1.61 1.57 0.00 2.21 0.00 0.00 2.67 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.32 0.00 127 V 8.21 4.76 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 0.97 0.00 0.00 0.89 0.00 0.00 128 Y 9.25 5.45 0.00 2.96 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 0.00 129 E 9.08 5.58 0.00 2.14 2.15 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 2.26 2.33 0.00 130 R 8.57 4.02 0.00 1.49 1.55 0.00 2.97 0.00 0.00 2.85 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 131 A 8.14 4.12 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.