NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4118 8.1627 120.3477 55.6174 34.3224 177.3560 2 V 3.3745 7.6357 118.1539 65.1586 31.6986 175.8777 3 G 3.7675 8.8548 108.0713 47.2903 0.0000 173.3232 4 Q 4.2402 8.0629 118.3390 56.4957 29.3445 175.7258 5 L 4.8476 7.6491 117.8524 52.9983 44.4701 177.3499 6 S 4.4452 8.7668 118.8674 56.6943 61.1515 173.4641 7 E 4.3427 7.3602 118.6963 57.7230 30.0718 178.2261 8 G 3.9917 9.2707 112.1315 45.2527 0.0000 174.9125 9 A 3.9686 8.3602 122.2415 55.1778 18.2280 179.7449 10 I 3.5468 8.3290 118.1497 64.5444 37.1689 178.3555 11 A 3.8291 8.0834 120.7983 55.1640 18.1496 179.3667 12 A 3.9309 8.1371 119.1736 55.4748 18.4811 179.9695 13 I 3.7529 7.9849 118.6408 64.8485 36.9194 178.6968 14 M 3.9334 7.8161 118.7513 58.0247 31.7197 178.6465 15 Q 4.1710 8.1072 117.6362 58.8384 29.0672 178.0751 16 K 4.2711 8.6665 119.3924 56.3545 32.2152 178.7889 17 G 4.1425 7.9540 105.1534 45.9316 0.0000 173.4394 18 D 4.5937 7.4887 118.9959 54.1980 41.4090 176.3372 19 T 3.7744 8.1740 110.4566 61.2611 69.0722 173.5111 20 N 4.8279 7.9469 118.0684 53.2910 37.9159 174.4784 21 I 4.7524 7.6837 110.3815 60.1683 41.1523 175.0724 22 K 5.2485 8.4349 117.7269 53.2967 32.5133 174.6120 23 P 4.4772 0.0000 0.0000 62.8700 33.6138 176.8275 24 I 4.8104 8.7206 123.1943 60.1265 38.9139 174.9083 25 L 5.0731 8.9260 126.0357 53.0413 46.7823 174.8348 26 Q 4.9166 8.6649 122.0567 54.2308 31.4994 174.7782 27 V 3.8688 8.5520 127.0791 63.3373 32.0357 176.2309 28 I 4.0079 8.6437 129.2858 63.2277 38.3146 175.7174 29 N 5.0486 7.5905 117.7353 52.8728 42.4352 173.2041 30 I 5.1594 8.2408 123.8907 59.6396 41.2027 174.6797 31 R 4.8511 9.1877 126.4888 53.8693 33.4795 172.4160 32 P 4.6785 0.0000 0.0000 62.6413 32.9014 175.3763 33 I 4.5340 9.1553 124.0468 59.6150 39.4104 175.6363 34 T 4.0967 8.4148 117.7243 61.1381 69.6422 173.9120 *38 S 4.2343 8.1464 117.0485 57.1407 64.1416 171.5800 39 P 4.3408 0.0000 0.0000 61.8619 31.5252 174.9702 40 P 4.2295 0.0000 0.0000 63.0260 31.6019 175.5401 41 R 4.4969 8.6666 119.4246 54.8316 32.3849 174.6994 42 Y 4.8173 8.4740 121.5905 56.7796 39.9968 174.4815 43 R 5.0583 9.2070 124.8911 54.8992 32.7875 174.8392 44 L 5.2395 9.1349 124.5166 52.8962 46.1515 175.2282 45 L 4.7627 8.9197 125.4713 54.1457 43.5350 175.1233 46 M 5.0290 8.8106 125.9487 53.4939 35.5901 174.8841 47 S 5.2274 9.0260 115.4167 56.3491 65.8859 173.9423 48 D 4.8428 9.1145 124.8046 53.0094 39.5112 176.7051 49 G 4.0412 8.6779 110.5600 45.7195 0.0000 174.9539 50 L 4.3695 8.0504 120.4304 56.8076 43.2951 176.1434 51 N 6.3000 9.4430 115.8800 50.9487 42.2764 173.4665 52 T 5.1950 8.2191 110.4535 60.4877 72.3961 172.8879 53 L 4.8754 8.7762 123.6579 54.0333 45.8380 175.9466 54 S 4.9429 9.1975 118.6360 57.6679 63.6465 173.9635 55 S 4.7792 7.7667 115.2338 58.6910 64.2673 173.3876 56 F 4.8565 8.2597 119.1484 58.1132 40.3784 174.5661 57 M 5.3401 9.4227 121.6684 53.5427 36.3647 173.9206 58 L 4.9429 8.6533 123.6449 53.3459 43.7092 176.3051 59 A 4.3707 9.0477 128.7320 52.2531 19.3192 178.7554 60 T 4.5152 8.9676 112.3113 63.8606 68.8321 176.9170 61 Q 4.0948 8.1576 119.5539 58.7406 28.8376 177.5481 62 L 4.3331 7.9542 119.7271 55.4513 41.8574 177.9929 63 N 4.3660 8.1364 117.7192 56.3286 38.4730 175.1732 64 P 4.3118 0.0000 0.0000 65.4961 31.2826 178.5628 65 L 3.9359 8.0408 118.0132 57.5110 41.4174 179.6950 66 V 3.7049 7.2595 119.0776 65.2782 31.3731 177.8923 67 E 4.0304 8.1628 117.4111 58.9881 29.2847 178.1817 68 E 4.3192 8.4336 116.9532 55.7039 29.3507 177.0953 69 E 3.8952 7.7430 117.1208 57.3559 27.7438 175.7198 70 Q 3.9392 7.6510 120.4044 58.3360 28.7554 176.3011 71 L 4.3804 8.0194 122.8413 53.6033 42.2481 175.2303 72 S 4.5220 8.0285 119.3750 56.5344 65.6372 173.5451 73 S 4.2313 8.3866 116.5330 60.6623 62.7705 175.6548 74 N 4.6358 9.4514 122.7472 53.0526 37.5888 174.6037 75 C 4.5084 7.9163 113.4724 58.0818 31.4211 172.5964 76 V 4.8589 8.4356 120.1511 61.3217 33.6100 174.2281 77 C 5.2299 9.1204 121.6299 56.6340 33.7909 172.2250 78 Q 4.9398 8.9472 121.6351 54.4932 31.3720 174.2867 79 I 4.3844 8.7447 127.9733 61.2571 37.8364 176.1247 80 H 4.6978 9.0955 124.6692 57.0201 30.2877 175.7947 81 R 4.8549 7.8938 117.9384 55.0858 33.3422 173.7836 82 F 5.6302 8.4880 120.0183 55.6277 41.3465 173.0852 83 I 4.6330 8.8806 112.3633 59.1118 41.0725 174.1767 84 V 4.8918 8.3266 122.4147 61.2127 33.9458 174.1813 85 N 5.0122 9.2052 125.5833 52.1454 42.0863 172.7325 86 T 4.9458 8.4595 122.5797 61.8424 70.3220 174.9155 87 L 4.3218 9.0866 127.0437 53.7825 42.6140 178.1192 88 K 3.9063 8.6356 119.4510 59.5618 31.8842 177.9114 89 D 4.5654 7.9015 115.2086 53.1537 39.9604 176.5439 90 G 4.0601 7.9542 108.6647 45.4943 0.0000 174.4741 91 R 4.0652 8.5766 121.0672 56.5221 31.2966 175.5028 92 R 4.8744 8.4559 124.7210 54.7630 31.7819 175.6347 93 V 4.2555 8.7937 124.8533 61.3741 33.8620 174.5481 94 V 4.6682 8.3342 127.7606 61.2997 33.7343 174.0749 95 I 4.9298 8.7888 129.9245 59.7773 39.2369 174.8132 96 L 4.7997 9.3105 128.4624 54.5153 42.2741 177.2355 97 M 4.3769 9.3071 124.3587 56.5279 33.7425 176.8150 98 E 4.9468 7.9952 116.8910 54.6059 33.9797 174.7550 99 L 5.0116 8.4105 122.0595 54.8103 43.6808 173.8082 100 E 4.6731 9.0188 121.1737 54.2690 32.4762 174.9126 101 V 4.0006 8.4411 127.3006 63.0334 31.6379 175.4637 102 L 4.3580 8.9036 128.9731 56.7946 42.7856 177.5812 103 K 4.6814 7.6551 119.3654 54.6159 35.8271 176.3778 104 S 4.5698 8.7594 121.3523 57.4749 64.3775 174.8711 105 A 3.9834 8.6412 124.0072 55.3907 18.2301 179.9971 106 E 3.8886 8.1486 112.7052 59.4085 29.7357 178.7019 107 A 4.0892 7.8083 121.1311 54.6951 18.6253 179.4897 108 V 3.7116 7.9443 116.7806 65.4553 31.6696 178.5597 109 G 4.0580 10.1082 105.1881 45.6663 0.0000 173.1510 110 V 4.3749 7.1253 116.5912 59.8640 34.3709 173.6346 111 K 4.0451 8.4407 122.1796 56.6379 32.3695 176.2197 112 I 3.9190 9.0864 128.5292 61.6490 37.9340 177.3511 113 G 3.8547 8.6828 115.2938 45.6971 0.0000 172.6528 114 N 5.0617 8.3421 110.4152 51.3115 39.2894 172.6674 115 P 4.6566 0.0000 0.0000 63.1844 32.7775 177.9111 116 V 4.5540 8.5119 114.9543 58.7362 34.7834 173.5635 117 P 4.9694 0.0000 0.0000 62.2722 31.8753 175.7479 118 Y 4.1025 8.7591 125.7432 57.8186 39.5511 175.5063 119 N 4.3925 7.6678 125.0684 52.6008 38.5292 174.5659 120 E 4.2786 8.5099 124.3733 56.5839 29.7238 176.8186 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 4.41 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 2 V 7.64 3.37 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 1.02 0.00 0.00 0.93 0.00 0.00 3 G 8.85 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 0.00 0.00 0.00 4 Q 8.06 4.24 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 5 L 7.65 4.85 0.00 1.63 1.53 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.77 4.45 0.00 3.89 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 7 E 7.36 4.34 0.00 1.96 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 2.42 2.30 0.00 8 G 9.27 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 9 A 8.36 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.33 3.55 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.65 0.75 0.00 0.00 11 A 8.08 3.83 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.14 3.93 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 13 I 7.98 3.75 1.86 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.72 0.88 0.00 0.00 14 M 7.82 3.93 0.00 1.66 1.48 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 1.44 2.34 0.00 15 Q 8.11 4.17 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 16 K 8.67 4.27 0.00 1.84 2.00 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.60 7.81 17 G 7.95 4.14 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 0.00 0.00 0.00 18 D 7.49 4.59 0.00 2.64 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 T 8.17 3.77 3.43 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 0.86 0.00 0.00 20 N 7.95 4.83 0.00 2.83 2.90 0.00 0.00 5.95 7.81 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 21 I 7.68 4.75 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.06 0.97 0.00 0.00 22 K 8.43 5.25 0.00 1.71 1.75 0.00 1.84 0.00 0.00 2.49 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.39 1.40 7.81 23 P 0.00 4.48 0.00 2.05 2.15 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 24 I 8.72 4.81 1.84 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 1.19 0.55 0.95 0.00 0.00 25 L 8.93 5.07 0.00 1.31 1.40 0.55 0.63 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 26 Q 8.66 4.92 0.00 2.04 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.01 0.00 0.00 0.00 0.00 0.00 2.21 2.48 0.00 27 V 8.55 3.87 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 0.84 0.00 0.00 0.83 0.00 0.00 28 I 8.64 4.01 1.97 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 1.07 0.96 0.90 0.00 0.00 29 N 7.59 5.05 0.00 2.80 2.60 0.00 0.00 7.43 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 30 I 8.24 5.16 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.98 0.00 0.00 31 R 9.19 4.85 0.00 1.86 1.75 0.00 3.11 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 32 P 0.00 4.68 0.00 1.97 1.87 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 33 I 9.16 4.53 1.81 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 1.27 0.59 0.88 0.00 0.00 34 T 8.41 4.10 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 1.17 0.00 0.00 *38 S 8.15 4.23 0.00 4.02 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 39 P 0.00 4.34 0.00 2.06 2.06 0.00 3.68 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 2.04 2.10 0.00 40 P 0.00 4.23 0.00 1.51 1.84 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 41 R 8.67 4.50 0.00 1.74 1.82 0.00 3.28 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 42 Y 8.47 4.82 0.00 2.98 2.89 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 0.00 0.00 0.00 43 R 9.21 5.06 0.00 1.88 1.94 0.00 3.06 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 44 L 9.13 5.24 0.00 1.64 1.44 1.01 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.92 4.76 0.00 1.78 1.56 0.99 1.13 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 46 M 8.81 5.03 0.00 1.39 1.07 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.02 0.00 47 S 9.03 5.23 0.00 3.78 3.60 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 48 D 9.11 4.84 0.00 3.01 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 49 G 8.68 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 0.00 0.00 0.00 50 L 8.05 4.37 0.00 1.80 1.86 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 51 N 9.44 6.30 0.00 2.73 2.82 0.00 0.00 6.20 7.06 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 52 T 8.22 5.20 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 53 L 8.78 4.88 0.00 1.87 1.81 0.92 0.44 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 54 S 9.20 4.94 0.00 4.05 3.98 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 55 S 7.77 4.78 0.00 3.85 4.05 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 56 F 8.26 4.86 0.00 3.17 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 57 M 9.42 5.34 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 58 L 8.65 4.94 0.00 1.77 1.72 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.05 4.37 1.44 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 0.00 0.00 0.00 60 T 8.97 4.52 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 61 Q 8.16 4.09 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 62 L 7.95 4.33 0.00 1.88 1.75 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.14 4.37 0.00 3.01 3.27 0.00 0.00 6.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.31 0.00 2.16 2.22 0.00 3.71 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 2.13 2.20 0.00 65 L 8.04 3.94 0.00 1.76 1.67 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.26 3.70 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 0.54 0.00 0.00 0.45 0.00 0.00 67 E 8.16 4.03 0.00 2.07 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 2.42 2.41 0.00 68 E 8.43 4.32 0.00 2.06 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 2.29 2.36 0.00 69 E 7.74 3.90 0.00 2.12 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 0.00 2.21 2.39 0.00 70 Q 7.65 3.94 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 71 L 8.02 4.38 0.00 1.63 1.45 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.03 4.52 0.00 3.95 3.85 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 73 S 8.39 4.23 0.00 3.88 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 74 N 9.45 4.64 0.00 2.81 3.09 0.00 0.00 7.06 7.06 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 75 C 7.92 4.51 0.00 3.16 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 76 V 8.44 4.86 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 1.04 0.00 0.00 0.90 0.00 0.00 77 C 9.12 5.23 0.00 3.03 2.89 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 0.00 0.00 0.00 78 Q 8.95 4.94 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.03 2.46 0.00 79 I 8.74 4.38 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.14 1.00 0.00 0.00 80 H 9.10 4.70 0.00 3.08 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.89 4.85 0.00 1.90 1.78 0.00 3.34 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 82 F 8.49 5.63 0.00 3.18 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 83 I 8.88 4.63 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.14 0.89 0.00 0.00 84 V 8.33 4.89 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 0.79 0.00 0.00 1.08 0.00 0.00 85 N 9.21 5.01 0.00 2.73 2.59 0.00 0.00 6.93 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 86 T 8.46 4.95 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 1.21 0.00 0.00 87 L 9.09 4.32 0.00 1.81 1.60 0.92 0.58 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 88 K 8.64 3.91 0.00 1.74 1.89 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.45 7.81 89 D 7.90 4.57 0.00 2.76 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 90 G 7.95 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.58 4.07 0.00 1.91 1.96 0.00 3.08 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 92 R 8.46 4.87 0.00 1.63 1.76 0.00 3.38 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 93 V 8.79 4.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.90 0.00 0.00 94 V 8.33 4.67 1.11 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 0.68 0.00 0.00 0.39 0.00 0.00 95 I 8.79 4.93 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.97 0.00 0.00 96 L 9.31 4.80 0.00 1.63 1.67 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 M 9.31 4.38 0.00 1.90 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.85 0.00 98 E 8.00 4.95 0.00 2.03 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 2.31 2.32 0.00 99 L 8.41 5.01 0.00 1.77 1.62 0.90 0.53 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 0.00 100 E 9.02 4.67 0.00 2.08 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 2.20 2.22 0.00 101 V 8.44 4.00 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 0.90 0.00 0.00 0.92 0.00 0.00 102 L 8.90 4.36 0.00 1.63 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.66 4.68 0.00 1.76 1.56 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.42 7.81 104 S 8.76 4.57 0.00 4.02 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 0.00 105 A 8.64 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.15 3.89 0.00 2.12 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 0.00 2.26 2.36 0.00 107 A 7.81 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.94 3.71 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 1.04 0.00 0.00 0.99 0.00 0.00 109 G 10.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.13 4.37 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 0.60 0.00 0.00 0.92 0.00 0.00 111 K 8.44 4.05 0.00 1.73 1.76 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 112 I 9.09 3.92 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.93 0.00 0.00 113 G 8.68 3.85 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 0.00 0.00 0.00 114 N 8.34 5.06 0.00 2.66 2.72 0.00 0.00 6.77 8.02 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 0.00 115 P 0.00 4.66 0.00 2.09 2.17 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 1.99 2.00 0.00 116 V 8.51 4.55 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 0.72 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.97 0.00 1.95 2.03 0.00 3.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 118 Y 8.76 4.10 0.00 2.98 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 0.00 119 N 7.67 4.39 0.00 2.50 2.40 0.00 0.00 7.10 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 0.00 120 E 8.51 4.28 0.00 2.04 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 2.50 2.54 0.00 * Residues marked with a * may have inaccurate shift predictions.