NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.0626 8.1832 117.5574 52.3257 38.8290 175.0554 2 L 4.0376 8.1763 118.0307 57.2373 41.4149 178.8883 3 F 4.3883 8.8661 118.8795 60.8693 39.3564 177.2380 4 Q 4.1042 8.6361 117.5617 58.9119 28.3840 178.4527 5 F 4.5439 8.5484 121.9071 61.2829 39.3124 177.2531 6 G 3.5709 8.4549 105.6041 48.0315 0.0000 175.3562 7 D 4.4440 8.1295 121.2195 57.3923 40.8363 178.8265 8 M 4.1515 8.0738 119.1542 58.3759 31.8707 178.8702 9 I 3.4771 7.7668 120.2919 64.0276 37.2029 178.1022 10 L 4.1376 8.0916 122.8707 57.7747 41.7210 178.8849 11 Q 4.0940 8.0642 117.9664 58.7268 29.0354 177.6198 12 K 4.3480 8.0008 118.0214 57.0937 32.7374 177.3521 13 T 4.3951 8.0441 107.1201 60.2519 70.6933 175.4001 14 G 3.7867 8.4621 110.3057 45.7583 0.0000 173.1252 *16 K 4.4874 7.3975 117.6297 56.2107 33.4249 174.5832 17 E 4.5447 8.3741 120.3847 55.1126 30.2963 177.1659 18 A 4.1280 8.8703 127.7689 55.4991 18.5273 179.7838 19 V 3.7204 7.8360 106.9282 63.9932 31.6938 176.6409 20 H 4.9518 8.0353 115.4068 55.2429 29.4980 174.8467 21 S 4.8724 8.0645 113.1290 58.6044 66.5787 175.5487 22 Y 4.2068 8.5504 117.5733 60.4561 38.9404 178.7616 23 A 4.3025 8.3874 122.1812 54.3619 18.7210 178.2767 24 I 4.4740 8.1151 108.9901 60.6261 38.0936 173.9556 25 Y 4.8591 8.2916 122.2801 57.4475 40.5203 176.8155 26 G 3.5026 7.9507 115.3240 46.1585 0.0000 172.3623 27 C 4.5681 9.3289 114.8833 57.7796 41.0987 174.9433 28 Y 4.4622 8.7770 115.9494 58.8812 40.0062 176.7050 29 C 4.6570 8.9518 116.4890 59.8065 41.3460 173.8316 30 G 4.5360 8.1245 114.8217 45.8726 0.0000 176.3186 31 W 4.6613 8.9406 117.3536 55.1620 28.9384 175.0929 32 G 3.6888 8.2322 106.7052 44.1986 0.0000 171.6312 33 G 3.8273 7.3017 105.1030 45.2133 0.0000 173.2269 34 Q 4.4389 7.2962 114.7587 55.7234 31.2671 174.2178 35 G 4.1203 8.8599 106.2351 44.7652 0.0000 172.2965 36 R 4.5996 8.2730 118.1523 54.7185 31.0270 176.3508 37 A 4.4955 9.0389 128.2049 52.3307 18.6755 178.1485 38 Q 3.9761 8.8860 122.5781 58.1013 29.3189 175.0811 39 D 4.4385 7.3078 115.0532 51.4113 41.9665 175.5030 40 A 3.9754 8.6259 119.7991 55.8302 18.2963 179.7591 41 T 3.8323 7.9918 113.6954 66.9921 68.5084 176.0844 42 D 4.5115 8.8032 120.0672 57.5581 41.2174 178.5385 43 R 3.9746 8.2707 118.7046 59.1645 29.9642 178.3187 44 C 4.2833 8.2755 116.6173 60.3643 38.6382 175.5715 45 C 4.1882 8.2330 117.7095 59.6872 40.7319 175.9522 46 F 4.0548 8.6295 122.5889 61.2027 38.8607 176.9980 47 A 3.6206 8.0860 120.4467 55.0865 18.0496 179.4133 48 Q 3.6366 8.0825 118.0850 59.1930 29.0343 178.1223 49 D 4.1435 8.0883 120.3480 57.5466 40.9716 178.2047 50 C 4.1187 7.7574 116.9332 59.8008 39.8736 175.1663 51 C 4.1211 7.9151 119.3149 60.1356 41.8781 175.0248 52 Y 4.2974 8.4685 118.7053 61.0624 37.1513 178.8543 53 G 3.6848 8.0075 105.9256 47.9008 0.0000 175.5770 54 R 4.2033 7.7956 118.0881 57.5259 30.3844 177.3187 55 V 4.4605 7.5799 113.0847 60.5227 32.8906 177.4700 56 N 4.0459 8.5356 119.9334 56.8320 38.7723 175.3328 *58 D 4.6436 7.8800 114.7896 54.3784 42.7134 177.1234 59 C 4.3122 7.9690 114.8629 58.7806 35.5484 173.7280 *61 N 4.2374 7.7418 117.3101 52.6359 38.7378 172.5950 *68 P 4.0423 0.0000 0.0000 62.1084 33.5936 178.3128 69 K 3.9565 7.9874 118.9677 59.3579 31.9833 177.7312 70 T 4.3091 7.6377 104.1836 61.0465 69.2452 174.0857 71 A 4.0473 7.5724 126.1466 52.2970 17.8010 177.7051 72 T 4.2263 8.3542 120.4837 63.2146 68.6224 174.6361 73 Y 4.7050 7.5258 125.3980 55.6632 40.4730 174.3012 74 T 4.9622 9.6970 115.0027 60.6765 69.2836 172.7770 75 Y 5.6006 8.5998 125.4850 56.0222 41.5635 173.9535 76 S 4.5209 9.2488 113.9636 56.7157 67.1160 173.0518 77 R 5.5525 8.4219 118.2599 54.0480 30.7967 175.0725 78 E 4.5185 8.1896 124.2699 55.1539 32.5411 174.6751 79 N 4.2249 9.6837 123.2310 54.7956 37.2659 174.8484 80 G 3.9261 8.4469 102.2371 45.4168 0.0000 173.8208 81 D 4.8860 7.9639 119.6012 52.6629 42.9922 175.0611 82 I 4.9004 8.1185 121.6350 59.9179 38.8227 175.3998 83 V 4.4157 8.7928 127.2425 61.1972 34.3115 173.5200 84 C 5.0210 9.0294 125.8871 56.4633 40.6684 173.7389 85 G 3.8594 8.9875 110.6887 46.1845 0.0000 173.8606 86 D 4.5472 7.9472 121.1070 54.5740 41.5595 176.7769 *88 D 4.8359 8.4048 120.6075 54.3451 42.9871 176.4464 89 D 4.4336 7.8672 118.9437 53.9380 42.1318 176.6374 90 L 3.9644 8.5562 127.4287 57.9359 41.7348 180.0996 91 C 4.2394 8.1672 115.9524 60.0510 40.9973 175.9867 92 L 3.9944 8.6879 120.8160 57.7998 41.2396 179.5540 93 R 3.7638 8.2202 118.5666 59.3776 29.9340 178.4602 94 A 3.8850 8.1066 120.5982 54.9649 18.3934 179.6332 95 V 3.3677 7.7513 116.8037 66.2887 31.5489 177.2628 96 C 2.9542 7.8075 118.0961 59.4946 43.6842 175.4902 97 E 3.7898 8.5570 120.2242 59.3526 28.9548 178.7059 98 C 4.2018 8.4041 117.0414 60.1581 38.0258 175.9476 99 D 3.8881 7.9898 120.3489 57.0698 40.3482 178.7079 100 R 3.8531 8.2556 119.4126 59.5147 30.0976 178.4319 101 A 3.9388 8.2014 120.4505 55.0411 18.3052 179.5011 102 A 3.8818 8.0596 119.0976 55.2882 18.4881 179.7785 103 A 3.9727 8.6656 119.7735 55.1063 18.3616 179.9922 104 I 3.6205 7.9714 118.5365 64.6244 37.0079 177.6428 105 C 4.3424 7.9780 117.7631 59.8175 38.1330 175.1742 106 L 4.1253 8.2798 120.9713 57.9146 41.0395 179.8958 107 G 3.6354 8.1669 105.4786 47.8221 0.0000 175.5979 108 E 4.1434 8.3442 119.7854 58.1116 29.6423 177.5589 109 N 5.0524 7.6670 115.2337 52.7819 39.4508 176.9098 110 V 3.8497 7.7245 121.7261 64.6552 31.5283 177.7777 111 N 4.6000 8.2452 116.4398 54.9886 38.5723 175.3666 112 T 4.4794 7.8336 107.2869 60.9367 69.3462 173.9821 113 Y 3.9536 7.8161 124.0732 58.4540 39.1586 174.8957 114 D 4.9231 8.9784 126.7361 52.1283 43.1384 176.6713 115 K 4.1637 8.7154 126.3587 58.7651 32.3615 178.8495 116 N 4.2081 7.9463 116.1150 55.9810 38.5226 175.4010 117 Y 4.0329 7.3534 114.4038 57.8539 37.5389 175.0362 118 E 4.2539 7.9251 121.8733 57.4192 30.0079 176.7038 119 Y 3.6337 8.3615 120.2086 59.3546 35.9800 170.3706 120 Y 4.3892 7.5617 120.2719 59.6564 39.5352 176.7681 121 S 4.3451 8.5725 114.6088 61.4044 63.0966 176.4563 122 I 3.5125 7.8011 121.2106 63.2192 37.8507 177.0336 *124 S 4.9272 7.7990 111.5895 57.9701 65.2025 173.0150 125 H 4.4536 7.1526 120.9461 53.3115 29.5624 174.0974 126 C 4.5251 8.9208 117.3197 60.0683 37.4146 173.2293 127 T 4.5137 7.5942 103.6222 61.2367 69.7032 173.8914 128 E 4.3071 7.9324 121.9969 56.1331 31.1141 175.8332 129 E 4.2853 8.7086 120.3704 57.3254 29.8420 177.7408 130 S 5.0896 8.5583 119.5813 57.4671 63.8807 174.1872 131 E 3.7918 8.2437 122.5201 56.6182 29.6402 176.4695 132 Q 4.7047 8.1930 121.7500 54.1969 31.2593 176.1762 133 C 4.5059 9.0347 121.4626 57.4187 41.2095 173.4437 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 N 8.18 5.06 0.00 3.12 3.07 0.00 0.00 6.14 5.79 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 2 L 8.18 4.04 0.00 1.68 1.79 0.97 0.95 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 3 F 8.87 4.39 0.00 3.27 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 4 Q 8.64 4.10 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 5 F 8.55 4.54 0.00 3.35 3.26 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 6 G 8.45 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.13 4.44 0.00 3.10 2.92 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 8 M 8.07 4.15 0.00 2.14 2.28 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 2.76 2.60 0.00 9 I 7.77 3.48 1.68 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.26 0.78 0.00 0.00 10 L 8.09 4.14 0.00 1.81 1.86 0.96 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.06 4.09 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.64 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 12 K 8.00 4.35 0.00 1.73 1.82 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.57 7.81 13 T 8.04 4.40 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 1.14 0.00 0.00 14 G 8.46 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 *16 K 7.40 4.49 0.00 1.91 1.65 0.00 1.00 0.00 0.00 1.02 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.33 7.81 17 E 8.37 4.54 0.00 2.11 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 2.39 2.32 0.00 18 A 8.87 4.13 1.27 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 0.00 0.00 0.00 19 V 7.84 3.72 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 0.77 0.00 0.00 0.84 0.00 0.00 20 H 8.04 4.95 0.00 3.14 3.31 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.06 4.87 0.00 3.51 3.62 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 22 Y 8.55 4.21 0.00 3.07 3.11 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 0.00 23 A 8.39 4.30 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.12 4.47 1.53 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 1.25 0.86 0.85 0.00 0.00 25 Y 8.29 4.86 0.00 3.16 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 26 G 7.95 3.50 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 0.00 0.00 0.00 27 C 9.33 4.57 0.00 3.03 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 28 Y 8.78 4.46 0.00 3.28 3.29 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 29 C 8.95 4.66 0.00 3.42 3.59 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 30 G 8.12 4.54 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 0.00 0.00 0.00 31 W 8.94 4.66 0.00 3.22 3.25 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 32 G 8.23 3.69 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 0.00 33 G 7.30 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.30 4.44 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 35 G 8.86 4.12 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 0.00 0.00 0.00 36 R 8.27 4.60 0.00 1.81 1.86 0.00 3.25 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 37 A 9.04 4.50 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 38 Q 8.89 3.98 0.00 0.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.65 0.00 0.00 0.00 0.00 0.00 2.40 1.65 0.00 39 D 7.31 4.44 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.63 3.98 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 41 T 7.99 3.83 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 42 D 8.80 4.51 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 3.97 0.00 2.03 1.99 0.00 3.17 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 44 C 8.28 4.28 0.00 3.19 3.11 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 0.00 45 C 8.23 4.19 0.00 3.31 3.38 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 46 F 8.63 4.05 0.00 2.52 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 47 A 8.09 3.62 1.27 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 0.00 0.00 0.00 48 Q 8.08 3.64 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 1.53 2.12 0.00 49 D 8.09 4.14 0.00 2.73 2.68 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 50 C 7.76 4.12 0.00 2.73 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 51 C 7.92 4.12 0.00 3.00 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 52 Y 8.47 4.30 0.00 3.04 2.88 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 0.00 0.00 0.00 53 G 8.01 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 0.00 0.00 0.00 54 R 7.80 4.20 0.00 1.90 1.97 0.00 3.07 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 55 V 7.58 4.46 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 0.66 0.00 0.00 0.92 0.00 0.00 56 N 8.54 4.05 0.00 2.74 2.84 0.00 0.00 7.20 8.47 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 *58 D 7.88 4.64 0.00 2.70 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 59 C 7.97 4.31 0.00 2.98 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 *61 N 7.74 4.24 0.00 2.83 2.77 0.00 0.00 7.10 8.03 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 *68 P 0.00 4.04 0.00 0.73 0.95 0.00 3.57 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 1.42 1.54 0.00 69 K 7.99 3.96 0.00 1.80 1.76 0.00 1.55 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 70 T 7.64 4.31 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 1.19 0.00 0.00 71 A 7.57 4.05 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 72 T 8.35 4.23 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 1.18 0.00 0.00 73 Y 7.53 4.70 0.00 3.21 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 74 T 9.70 4.96 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 1.41 0.00 0.00 75 Y 8.60 5.60 0.00 3.18 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 76 S 9.25 4.52 0.00 3.77 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 77 R 8.42 5.55 0.00 1.84 2.23 0.00 2.78 0.00 0.00 3.94 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.43 0.00 78 E 8.19 4.52 0.00 1.95 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 2.26 2.25 0.00 79 N 9.68 4.22 0.00 2.89 2.86 0.00 0.00 7.15 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 80 G 8.45 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 0.00 0.00 0.00 81 D 7.96 4.89 0.00 2.88 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 82 I 8.12 4.90 1.92 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 1.34 0.61 1.02 0.00 0.00 83 V 8.79 4.42 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 1.08 0.00 0.00 0.95 0.00 0.00 84 C 9.03 5.02 0.00 3.03 2.94 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 85 G 8.99 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 86 D 7.95 4.55 0.00 2.80 2.83 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 0.00 0.00 0.00 *88 D 8.40 4.84 0.00 2.70 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 89 D 7.87 4.43 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 3.96 0.00 1.71 1.68 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 C 8.17 4.24 0.00 3.06 3.11 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 0.00 92 L 8.69 3.99 0.00 1.68 1.98 1.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.22 3.76 0.00 2.08 2.08 0.00 3.07 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 94 A 8.11 3.88 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 95 V 7.75 3.37 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 0.98 0.00 0.00 0.86 0.00 0.00 96 C 7.81 2.95 0.00 1.85 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.79 0.00 1.88 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 2.44 2.43 0.00 98 C 8.40 4.20 0.00 3.21 3.16 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 99 D 7.99 3.89 0.00 2.76 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 0.00 100 R 8.26 3.85 0.00 1.83 2.03 0.00 3.15 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 101 A 8.20 3.94 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 0.00 102 A 8.06 3.88 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 0.00 103 A 8.67 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.62 2.01 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 1.41 0.70 0.93 0.00 0.00 105 C 7.98 4.34 0.00 3.05 3.26 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 0.00 106 L 8.28 4.13 0.00 1.55 1.24 0.32 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.17 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 0.00 0.00 0.00 108 E 8.34 4.14 0.00 2.13 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 2.35 2.52 0.00 109 N 7.67 5.05 0.00 2.79 2.82 0.00 0.00 6.59 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 0.00 110 V 7.72 3.85 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 0.82 0.00 0.00 0.94 0.00 0.00 111 N 8.25 4.60 0.00 2.77 2.95 0.00 0.00 6.79 7.54 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 0.00 112 T 7.83 4.48 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 1.26 0.00 0.00 113 Y 7.82 3.95 0.00 3.08 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 0.00 114 D 8.98 4.92 0.00 2.86 2.55 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 0.00 115 K 8.72 4.16 0.00 1.90 1.89 0.00 1.79 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.80 1.64 7.81 116 N 7.95 4.21 0.00 2.22 2.41 0.00 0.00 6.97 7.61 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 0.00 117 Y 7.35 4.03 0.00 1.49 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 0.00 0.00 0.00 118 E 7.93 4.25 0.00 2.11 1.57 0.00 0.00 0.00 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 2.34 0.00 119 Y 8.36 3.63 0.00 3.19 3.01 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 0.00 120 Y 7.56 4.39 0.00 2.93 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 0.00 121 S 8.57 4.35 0.00 4.20 4.41 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 0.00 122 I 7.80 3.51 1.89 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 1.45 1.33 0.94 0.00 0.00 *124 S 7.80 4.93 0.00 3.85 3.89 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 0.00 125 H 7.15 4.45 0.00 2.20 2.61 0.00 6.00 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.92 4.53 0.00 3.04 3.25 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 0.00 127 T 7.59 4.51 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 1.19 0.00 0.00 128 E 7.93 4.31 0.00 2.02 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 2.43 2.43 0.00 129 E 8.71 4.29 0.00 1.85 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 2.33 2.37 0.00 130 S 8.56 5.09 0.00 3.82 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 0.00 131 E 8.24 3.79 0.00 1.16 1.12 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 2.21 1.47 0.00 132 Q 8.19 4.70 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 133 C 9.03 4.51 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.