NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 Y 4.3489 8.1449 118.3228 57.3789 39.7204 175.2575 8 F 4.8998 7.6885 118.3758 56.5485 40.0163 175.6325 9 K 4.0537 9.2666 124.4060 59.0202 32.7929 177.7773 10 R 4.4902 7.6902 114.2058 55.7964 32.0541 175.9126 11 L 4.2397 7.2568 118.1018 54.5380 42.6870 177.4108 12 S 4.4626 9.2477 121.8842 58.0892 65.1146 175.1212 13 D 4.4048 8.6119 122.3343 57.3711 40.4897 178.9513 14 R 3.5067 7.6591 118.7803 59.4072 29.9359 178.3039 15 E 3.9122 8.0241 118.2468 59.3785 29.3427 179.3901 16 R 4.0104 8.1829 118.6081 59.0821 30.2247 178.2567 17 A 4.0193 8.3104 121.0099 55.3733 18.4432 179.5558 18 I 3.6676 7.5315 117.8671 64.5014 37.1009 178.5054 19 F 4.2741 8.3099 121.2599 61.5791 39.2485 177.1153 20 E 3.7738 8.6802 118.2905 59.0649 29.1563 179.3672 21 A 4.0099 8.0291 120.8816 54.9462 18.4381 179.6851 22 G 3.5984 8.0142 104.2411 48.1128 0.0000 175.6927 23 I 3.5370 7.6280 122.9653 64.4068 37.1484 178.7849 24 T 3.9185 8.0514 116.5578 66.4318 68.2394 176.9765 25 L 4.1205 8.1499 121.2092 57.6573 41.7251 179.5498 26 G 3.7148 8.2854 105.5975 47.7755 0.0000 175.5896 27 A 4.0278 8.1175 123.0744 54.9435 18.4987 179.4904 28 I 3.9114 7.8604 118.4028 64.9400 37.2482 177.8872 29 Y 4.0043 8.0335 119.7972 61.2711 38.4818 177.8493 30 H 4.3468 8.3257 115.2057 58.2194 29.0159 177.2756 31 Q 3.8866 8.5962 121.4454 58.3654 29.1498 177.2303 32 F 4.6964 8.1572 116.9285 56.8665 40.3267 175.7693 33 C 4.3077 7.2519 116.8819 61.2207 28.2234 174.3410 34 G 3.9815 9.0735 112.8119 44.9880 0.0000 173.7872 35 T 4.0564 7.7818 118.0528 62.7941 69.3915 172.2792 36 P 4.9939 0.0000 0.0000 63.0885 31.9885 176.0934 37 V 4.7516 9.1437 123.0206 60.3389 35.4486 173.9761 38 S 4.9997 9.1754 116.0045 56.0343 66.4585 172.9445 39 P 4.2360 0.0000 0.0000 65.7253 31.0963 178.2491 40 G 3.7593 7.5815 104.9378 47.6062 0.0000 175.1652 41 T 4.1458 7.9201 109.9453 62.9438 69.0754 176.1041 42 A 4.3025 7.7063 123.1284 53.9565 20.2294 178.6678 43 E 3.8841 7.9360 116.5658 59.6506 29.7410 179.2797 44 E 3.9600 8.0739 118.1705 59.1094 29.5130 179.3713 45 V 3.4508 8.1319 118.4870 65.9523 31.5615 177.5738 46 A 3.8522 7.9423 120.5238 55.4397 18.1272 179.8422 47 K 3.8565 7.8035 116.4119 59.8682 32.1699 179.4931 48 C 4.1607 7.9226 116.7757 62.6246 27.9244 176.2473 49 I 3.0287 7.5524 121.4660 64.1248 36.6139 177.9573 50 E 3.8914 8.1143 119.5190 59.8942 29.1448 179.9907 51 R 3.9394 7.8439 115.9622 58.8720 30.4859 178.7858 52 A 4.1522 8.1699 120.5316 55.1071 18.4468 179.2299 53 A 3.9884 8.3532 119.7799 55.6219 18.2465 179.7421 54 L 4.0698 7.8536 115.0190 56.9746 41.7019 179.0652 55 L 4.1953 7.6429 118.1974 56.0891 42.2320 177.3759 56 Q 4.3023 7.5045 117.9539 54.1605 29.6092 173.6198 57 P 4.3558 0.0000 0.0000 64.7791 31.7738 177.8536 58 C 4.1534 8.9886 118.1905 57.7753 38.5887 173.0243 59 V 4.1931 7.5253 119.9162 62.8788 30.7619 175.2427 60 I 4.4402 8.2100 120.7636 61.0861 38.9707 175.0693 61 D 4.8207 7.8331 121.2747 53.3778 44.8315 173.7121 62 A 4.9310 8.2665 124.6064 51.0205 22.3957 175.6926 63 R 4.7114 9.4647 122.1885 54.3442 33.4008 174.8988 64 V 4.9133 9.6574 124.6190 60.8244 34.4183 174.4442 65 E 4.7103 9.1776 124.9661 54.4505 32.8550 174.8834 66 V 4.4348 8.3816 122.3997 61.6342 32.9038 174.9638 67 D 4.7108 8.9695 130.3328 52.6996 40.0844 174.3291 68 V 4.3199 7.9908 115.7155 58.9182 34.0167 176.1048 69 S 4.5044 8.3655 119.4542 56.7125 64.9480 174.0218 70 S 4.2580 8.1893 115.5158 57.5339 60.7434 173.0675 *73 T 4.0856 8.1159 116.1257 60.8474 69.9823 173.5860 74 D 4.7298 7.8406 122.5265 53.7560 39.8921 174.5289 75 N 4.3589 7.8130 121.9164 52.1527 39.5698 174.3966 76 Y 4.2309 9.0190 119.2090 60.8487 38.7157 177.7405 77 G 3.4716 8.0858 106.6238 46.3873 0.0000 173.3540 78 G 3.8968 8.9510 107.5455 45.8164 0.0000 172.3920 79 Y 4.7020 7.0708 115.0222 56.2413 40.8663 172.0609 80 T 4.8019 8.6419 114.1824 60.5609 70.7933 171.7448 81 E 5.2282 8.4968 117.6103 54.3228 34.1706 175.5889 82 V 4.0216 8.5843 123.8398 63.8135 32.9649 175.1318 83 S 4.6382 9.4415 121.4137 57.2373 66.3945 175.3648 84 G 3.9734 8.7748 108.2608 48.1591 0.0000 175.0945 85 R 3.5496 7.7734 120.5707 58.3679 30.1866 176.4945 86 N 4.8629 8.0264 112.6488 52.3997 39.1333 173.9199 87 L 4.9243 7.8342 122.6908 54.0707 43.4694 175.7790 88 R 4.9689 9.0005 124.7755 54.4590 33.9187 174.6306 89 V 4.8216 9.1774 123.0188 61.4430 35.6210 174.0552 90 T 5.0892 8.9321 123.5765 61.6457 71.9184 172.9193 91 I 4.9144 8.9673 119.8441 58.9794 41.3551 174.3626 92 V 4.8466 8.5932 124.6982 61.5274 33.5142 174.3721 93 T 5.0746 8.7112 118.4585 60.1967 71.1455 173.7294 94 R 5.0213 9.5731 124.9987 55.0301 33.4951 173.3488 95 C 5.0915 9.0499 124.8841 55.8294 43.5469 175.2584 96 G 3.7825 8.5294 115.3314 47.1268 0.0000 174.0817 97 E 4.3360 9.0540 125.7353 55.6085 30.2702 174.5485 98 W 5.2306 7.9717 119.7099 54.9106 32.0443 174.8076 99 E 5.9800 9.8229 122.5198 53.7563 32.7909 174.7222 100 A 5.2379 8.3976 123.2332 50.1605 22.6046 175.4336 101 V 4.4232 9.1095 122.2873 61.5245 33.1072 174.7574 102 G 4.3378 8.9737 116.4990 44.5142 0.0000 171.9267 103 K 4.8970 8.4511 122.1805 54.0210 36.7031 175.0380 104 L 5.4501 8.3930 124.6805 52.3422 45.6000 174.8354 105 E 5.2379 8.6397 122.5814 55.0703 33.1721 174.1674 106 F 4.5439 9.3105 129.5275 58.8163 40.3520 174.3448 107 I 4.1711 7.9237 127.9056 59.5541 37.1783 176.0520 108 E 4.1071 9.0188 128.3370 59.6323 29.6314 180.0617 109 E 4.0424 8.0717 116.7480 58.6706 29.6828 177.5538 110 L 4.2254 7.6818 116.4712 53.8812 42.3852 175.7164 111 N 4.1438 7.4747 115.0804 53.8486 37.9559 172.8448 112 Y 4.8395 6.4074 114.4095 55.5104 42.6282 171.4694 113 P 4.8706 0.0000 0.0000 62.5349 32.1486 175.1996 114 L 4.6985 8.7570 127.9383 54.4248 43.7837 174.9816 115 M 5.4024 8.7384 124.9723 53.6148 34.1352 175.0243 116 W 5.2251 8.8583 119.1080 55.6140 32.6338 173.2899 117 V 4.5163 8.4022 120.3476 61.6300 31.5441 175.2104 118 E 4.4772 9.2430 129.0776 59.2161 30.1523 177.1691 119 E 4.8284 8.0066 118.5574 54.7769 33.4731 173.6390 120 I 5.2669 8.3849 126.2594 59.6075 40.1846 174.9952 121 R 4.8234 9.1630 121.6522 55.0873 33.2006 175.2866 122 R 4.0996 8.0996 119.6299 55.7244 30.0076 175.9869 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 Y 8.14 4.35 0.00 2.33 2.59 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 0.00 8 F 7.69 4.90 0.00 3.21 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 9 K 9.27 4.05 0.00 1.70 1.87 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.43 7.81 10 R 7.69 4.49 0.00 1.75 1.93 0.00 3.18 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 11 L 7.26 4.24 0.00 1.74 1.77 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.25 4.46 0.00 4.02 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 13 D 8.61 4.40 0.00 3.02 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 14 R 7.66 3.51 0.00 0.67 1.30 0.00 2.21 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.00 15 E 8.02 3.91 0.00 2.18 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 2.26 2.20 0.00 16 R 8.18 4.01 0.00 1.96 1.88 0.00 2.51 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 17 A 8.31 4.02 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 18 I 7.53 3.67 2.05 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 1.41 1.05 0.95 0.00 0.00 19 F 8.31 4.27 0.00 3.19 3.24 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 20 E 8.68 3.77 0.00 1.99 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 2.60 2.46 0.00 21 A 8.03 4.01 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.01 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 0.00 0.00 0.00 23 I 7.63 3.54 1.74 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 1.09 0.19 0.79 0.00 0.00 24 T 8.05 3.92 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 25 L 8.15 4.12 0.00 1.81 1.69 0.86 0.63 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 26 G 8.29 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 27 A 8.12 4.03 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 28 I 7.86 3.91 1.97 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 1.53 1.14 1.00 0.00 0.00 29 Y 8.03 4.00 0.00 3.23 3.12 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 0.00 0.00 0.00 0.00 30 H 8.33 4.35 0.00 3.35 3.39 0.00 5.71 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 31 Q 8.60 3.89 0.00 1.86 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.77 0.00 0.00 0.00 0.00 0.00 1.73 1.41 0.00 32 F 8.16 4.70 0.00 3.17 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 33 C 7.25 4.31 0.00 2.67 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 34 G 9.07 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 0.00 0.00 0.00 35 T 7.78 4.06 4.34 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 1.26 0.00 0.00 36 P 0.00 4.99 0.00 1.74 1.52 0.00 3.62 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 1.93 2.10 0.00 37 V 9.14 4.75 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 0.93 0.00 0.00 38 S 9.18 5.00 0.00 3.85 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 39 P 0.00 4.24 0.00 2.06 2.18 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.27 0.00 40 G 7.58 3.76 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 0.00 41 T 7.92 4.15 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 42 A 7.71 4.30 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 43 E 7.94 3.88 0.00 2.00 1.98 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 2.38 2.38 0.00 44 E 8.07 3.96 0.00 2.15 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 2.38 2.34 0.00 45 V 8.13 3.45 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 0.92 0.00 0.00 0.98 0.00 0.00 46 A 7.94 3.85 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.80 3.86 0.00 1.97 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.60 7.81 48 C 7.92 4.16 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 49 I 7.55 3.03 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 0.61 0.00 0.00 50 E 8.11 3.89 0.00 2.12 1.98 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 2.33 2.40 0.00 51 R 7.84 3.94 0.00 1.79 1.99 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 52 A 8.17 4.15 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.35 3.99 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.85 4.07 0.00 1.77 1.74 0.91 0.87 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 55 L 7.64 4.20 0.00 1.85 1.73 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.50 4.30 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 57 P 0.00 4.36 0.00 2.18 2.00 0.00 3.72 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 2.05 2.14 0.00 58 C 8.99 4.15 0.00 3.16 3.34 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 59 V 7.53 4.19 2.26 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 0.77 0.00 0.00 1.01 0.00 0.00 60 I 8.21 4.44 1.86 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 1.11 0.81 0.91 0.00 0.00 61 D 7.83 4.82 0.00 2.72 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 62 A 8.27 4.93 1.16 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 63 R 9.46 4.71 0.00 1.61 1.78 0.00 3.21 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 64 V 9.66 4.91 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 0.70 0.00 0.00 0.85 0.00 0.00 65 E 9.18 4.71 0.00 2.01 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 2.16 2.21 0.00 66 V 8.38 4.43 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 0.77 0.00 0.00 0.87 0.00 0.00 67 D 8.97 4.71 0.00 2.72 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 68 V 7.99 4.32 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 0.82 0.00 0.00 0.95 0.00 0.00 69 S 8.37 4.50 0.00 3.96 3.87 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 70 S 8.19 4.26 0.00 3.84 3.84 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 *73 T 8.12 4.09 4.32 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 1.29 0.00 0.00 74 D 7.84 4.73 0.00 2.62 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 75 N 7.81 4.36 0.00 2.75 2.70 0.00 0.00 6.22 7.55 0.00 0.00 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 9.02 4.23 0.00 2.92 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 77 G 8.09 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 0.00 0.00 0.00 78 G 8.95 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 0.00 0.00 0.00 79 Y 7.07 4.70 0.00 3.30 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 80 T 8.64 4.80 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 1.27 0.00 0.00 81 E 8.50 5.23 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 2.45 2.38 0.00 82 V 8.58 4.02 2.26 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 0.85 0.00 0.00 1.00 0.00 0.00 83 S 9.44 4.64 0.00 3.83 3.87 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 84 G 8.77 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 0.00 0.00 0.00 85 R 7.77 3.55 0.00 1.52 1.75 0.00 2.21 0.00 0.00 2.67 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.09 0.00 86 N 8.03 4.86 0.00 2.95 2.97 0.00 0.00 5.83 6.67 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 87 L 7.83 4.92 0.00 1.83 1.72 0.87 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 88 R 9.00 4.97 0.00 1.76 1.78 0.00 3.15 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 89 V 9.18 4.82 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 0.94 0.00 0.00 0.93 0.00 0.00 90 T 8.93 5.09 4.18 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 1.13 0.00 0.00 91 I 8.97 4.91 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 1.04 1.27 0.87 0.00 0.00 92 V 8.59 4.85 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 1.02 0.00 0.00 0.91 0.00 0.00 93 T 8.71 5.07 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 1.21 0.00 0.00 94 R 9.57 5.02 0.00 1.80 1.79 0.00 3.03 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 95 C 9.05 5.09 0.00 3.04 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 96 G 8.53 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 0.00 0.00 0.00 97 E 9.05 4.34 0.00 1.80 1.64 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 2.23 2.25 0.00 98 W 7.97 5.23 0.00 3.33 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 99 E 9.82 5.98 0.00 1.91 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 2.34 2.08 0.00 100 A 8.40 5.24 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 0.00 101 V 9.11 4.42 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 0.84 0.00 0.00 0.94 0.00 0.00 102 G 8.97 4.34 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 0.00 103 K 8.45 4.90 0.00 0.79 0.74 0.00 1.39 0.00 0.00 1.17 0.00 0.00 2.67 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.97 0.80 7.81 104 L 8.39 5.45 0.00 1.65 1.43 0.99 0.88 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 0.00 105 E 8.64 5.24 0.00 2.21 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 0.00 2.42 2.41 0.00 106 F 9.31 4.54 0.00 3.35 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 0.00 107 I 7.92 4.17 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.81 0.00 0.00 108 E 9.02 4.11 0.00 2.09 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 0.00 2.67 2.69 0.00 109 E 8.07 4.04 0.00 1.86 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 2.27 2.36 0.00 110 L 7.68 4.23 0.00 1.53 1.60 0.81 0.87 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 0.00 111 N 7.47 4.14 0.00 2.88 2.91 0.00 0.00 6.88 7.42 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 0.00 112 Y 6.41 4.84 0.00 2.95 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 0.00 113 P 0.00 4.87 0.00 2.01 2.46 0.00 3.12 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 2.07 0.00 114 L 8.76 4.70 0.00 1.93 1.72 1.04 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 115 M 8.74 5.40 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 116 W 8.86 5.23 0.00 3.37 3.23 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 0.00 117 V 8.40 4.52 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 0.90 0.00 0.00 0.95 0.00 0.00 118 E 9.24 4.48 0.00 1.82 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 0.00 2.51 2.42 0.00 119 E 8.01 4.83 0.00 2.04 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 2.34 2.40 0.00 120 I 8.38 5.27 1.94 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 1.43 0.84 0.96 0.00 0.00 121 R 9.16 4.82 0.00 1.89 2.05 0.00 2.88 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 122 R 8.10 4.10 0.00 1.04 1.38 0.00 2.63 0.00 0.00 3.52 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 * Residues marked with a * may have inaccurate shift predictions.