NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4315 8.3344 116.7972 61.0852 64.3641 171.9292 3 H 4.3298 7.9153 117.5504 52.9894 33.2131 173.6229 4 P 4.2517 0.0000 0.0000 66.5486 31.9057 178.1259 5 D 4.4472 8.0913 118.4889 56.5565 40.8957 178.2867 6 L 4.0042 8.1594 120.3552 57.7917 42.0968 178.5527 7 N 4.4281 8.4545 117.0366 56.1077 38.4220 177.4972 8 K 4.1855 7.7556 119.2040 59.2355 32.0990 178.9904 9 L 4.0627 8.1232 120.7767 58.3309 41.7480 178.9388 10 L 4.0674 7.6240 118.5325 58.0757 42.0931 178.1755 11 E 4.1751 8.2298 118.6284 58.7704 29.8868 178.1833 12 L 4.3448 8.5382 119.4816 57.0090 42.0045 178.6230 13 W 4.1623 8.8555 128.8035 60.3457 30.4979 176.2991 14 P 4.1081 0.0000 0.0000 66.0153 30.8849 177.7586 15 H 4.3793 8.5752 114.8166 58.0442 28.6968 178.0023 16 I 3.5382 7.2789 121.5268 64.1224 36.9361 177.9041 17 Q 3.6633 7.2647 120.3411 59.0923 28.8584 177.9286 18 E 3.8903 8.0095 120.3135 59.5113 29.7608 178.2072 19 Y 4.0782 8.1351 119.5056 60.4383 38.7745 177.5835 20 Q 3.8074 8.1891 121.0112 58.8208 29.0977 177.6479 21 D 4.2746 8.0909 120.0712 57.1984 41.0060 178.2958 22 L 3.8393 7.7552 120.5309 58.3490 42.0410 179.0567 23 A 3.9399 7.5071 119.7806 54.7428 18.1751 179.7222 24 L 4.0097 7.7520 117.9422 57.9600 41.5322 179.5268 25 K 4.0901 7.7492 117.1876 58.9186 31.9189 177.3915 26 H 4.5682 7.3627 113.0215 55.2764 28.9653 174.9022 27 G 3.8169 8.6553 107.1234 45.8951 0.0000 173.4816 28 I 4.3562 7.9833 120.6446 59.2340 38.4301 175.8873 29 N 4.4149 8.7422 123.5030 55.4806 38.9189 174.9983 30 D 4.6538 7.7231 117.6687 52.2078 43.3513 175.5814 31 I 3.6776 8.7852 122.0047 63.4477 37.5273 176.8476 32 F 5.1581 7.9695 117.7330 57.4624 39.0754 175.3936 33 Q 4.5312 8.1290 119.2918 57.2751 29.7073 176.1519 34 D 4.8891 7.3932 114.5075 53.6193 41.3327 175.5944 35 N 4.4081 8.1887 110.9673 54.1979 37.1732 177.5220 36 G 3.7910 7.6762 107.3664 47.7806 0.0000 176.2151 37 G 3.8780 8.0180 106.1331 46.7439 0.0000 175.7920 38 K 4.4314 8.2351 122.8948 58.8044 32.2975 178.7548 39 L 3.9718 7.9611 120.0272 58.4181 41.7593 178.5324 40 L 3.8919 7.8670 119.5377 58.1234 41.8718 179.2144 41 Q 3.9564 8.2527 118.1909 58.8400 28.7363 178.6227 42 V 3.5849 7.7868 118.6992 66.1487 31.6493 177.9552 43 L 3.9835 7.8409 118.6048 57.6529 41.2049 179.4804 44 L 3.9695 7.9828 118.6728 57.4346 41.5546 179.3806 45 I 3.7069 7.3458 119.2391 64.8189 37.1991 178.4637 46 T 3.9805 7.7072 115.3530 64.3694 68.2388 175.9277 47 G 3.8136 7.8645 107.2983 45.8364 0.0000 173.3475 48 L 4.5418 7.4847 119.3696 54.1662 43.5577 176.0420 49 T 4.6556 8.6100 115.8235 61.9463 71.7180 174.7286 50 V 4.2886 8.5420 119.4715 61.3570 32.6255 175.5370 51 L 4.7096 8.4806 123.4283 52.8144 44.2049 174.3299 52 P 4.6885 0.0000 0.0000 61.7234 34.5622 180.0850 53 G 3.7926 8.6493 112.3289 46.8988 0.0000 176.9144 *56 G 3.8318 8.8658 110.7457 45.6090 0.0000 171.6130 57 N 4.8445 8.5016 122.2353 51.8104 41.1369 173.9978 58 D 4.7064 8.2377 117.6519 56.4033 42.5225 176.5284 59 A 5.1413 7.6907 118.0427 51.4909 23.0523 175.2714 60 V 5.2234 9.0969 111.6654 60.2684 36.6571 175.0694 61 D 5.1551 8.9593 124.0233 52.0290 41.4367 177.1157 62 N 4.2284 8.8735 115.2403 56.2914 38.4929 176.2383 63 A 4.1505 8.0681 118.2968 52.3791 18.5549 178.1246 64 G 3.9384 8.4054 104.9016 45.1907 0.0000 173.9168 65 Q 4.0609 8.5467 122.9193 56.0900 29.9513 175.0319 66 E 5.1063 8.5372 125.4730 55.7427 31.2586 175.0731 67 Y 4.9542 8.6738 119.0067 56.3506 42.4454 174.7281 68 E 4.3205 8.6321 121.4579 55.5068 31.5335 175.2671 69 L 4.9785 8.6486 123.9165 53.4513 45.1967 175.7329 70 K 4.7999 8.9283 124.6165 54.8325 36.2830 175.4891 71 S 5.7223 8.9617 118.3440 57.0740 67.2562 173.1641 72 I 4.6295 8.7766 120.8523 59.4714 41.8962 173.4385 73 N 5.2219 8.7775 127.9411 52.6876 39.2629 175.2401 74 I 4.0312 9.0487 128.3498 63.7310 38.1578 176.8194 75 D 4.5871 8.5453 120.1851 56.1000 40.8934 176.4957 76 L 4.7082 7.4207 115.9010 54.3054 43.7236 175.7479 77 T 4.3093 7.2129 110.3246 61.5129 70.0241 171.8871 78 K 4.5986 8.2759 122.6349 55.5430 34.3897 175.0410 79 G 4.4610 7.5773 104.7483 44.4193 0.0000 173.2481 80 F 4.7580 9.1601 123.2280 57.0421 40.4406 175.8719 81 S 4.3553 8.8981 118.5879 59.6385 63.5340 172.4445 82 T 4.6347 9.3916 115.6483 63.7125 71.4268 174.0598 83 H 4.7813 7.8517 118.4473 55.7146 33.6676 174.4454 84 H 4.1358 8.9259 122.6162 58.3375 29.8238 174.0544 85 H 4.8160 7.8616 114.5603 53.7917 29.4560 171.2794 86 M 4.4181 9.2540 123.1292 54.7932 33.6618 174.4037 87 N 4.9051 8.2785 121.9849 49.6751 40.9270 173.5474 88 P 4.0612 0.0000 0.0000 65.6252 30.8804 178.6291 89 V 3.5270 8.0388 118.7626 65.5468 31.4226 178.0425 90 I 3.3839 7.3062 119.1975 64.2485 36.9756 178.1699 91 I 3.6709 7.5300 120.4140 64.3356 36.6673 178.3301 92 A 3.9676 7.4663 120.2985 54.7897 18.5021 179.4057 93 K 3.9895 7.6688 118.2910 59.9398 32.4487 178.4428 94 Y 4.6201 7.8462 117.0172 61.6274 37.6329 179.1309 95 R 4.3155 7.8642 117.0603 58.8102 30.1720 178.4473 96 Q 4.2559 8.0062 116.9077 56.3702 29.3137 176.2690 97 V 4.5114 7.1480 112.0089 58.1294 34.8829 173.6942 98 P 4.8380 0.0000 0.0000 63.2825 32.5453 174.8432 99 W 5.2717 9.2690 121.0283 55.1599 32.2596 174.7644 100 I 4.8919 8.5402 124.4871 59.6798 39.3695 174.4367 101 F 5.0730 9.3193 126.0941 55.6689 41.2431 174.5313 102 A 5.2357 9.3479 125.9642 50.1369 21.9893 174.9405 103 I 4.9989 8.9283 122.6324 59.8619 40.1064 174.4522 104 Y 5.0636 9.3566 125.0767 56.2051 41.5440 175.1536 105 R 4.7206 9.1737 123.2795 54.7312 32.2861 177.0259 106 G 4.0498 9.2158 120.5035 46.7761 0.0000 173.7531 107 I 4.2181 8.8243 117.2213 60.0433 38.5416 174.8587 108 A 4.7306 7.8386 125.1988 50.7561 20.3585 176.1903 109 I 4.0756 8.3152 122.0055 60.5904 38.9448 175.1110 110 E 4.6703 9.3463 127.2810 57.7716 31.3686 175.9893 111 A 4.9007 7.5791 118.1658 51.0755 23.1135 175.3794 112 I 5.1599 8.5129 119.5570 59.9829 41.6466 174.2169 113 Y 5.7689 8.9893 123.4141 55.3478 42.0260 174.3709 114 R 5.2729 8.7617 121.9685 54.7093 33.0261 174.3310 115 L 5.2701 8.9880 125.7335 53.1319 45.1063 175.8543 116 E 4.8076 8.8514 121.3890 54.7993 31.3180 175.8235 117 P 4.4172 0.0000 0.0000 65.6023 31.0217 179.1913 118 K 3.9731 8.0654 117.3833 60.0153 32.3079 178.6016 119 D 4.5626 8.3847 119.0375 55.7429 41.1319 177.3305 120 L 4.3706 7.6376 118.1752 53.8159 42.5128 177.5457 121 E 3.6905 7.7273 120.1051 59.1429 29.1512 178.4480 122 F 3.5032 7.8725 120.3316 61.5944 39.4244 176.9876 123 Y 3.4341 7.4883 115.7194 60.7221 37.5712 177.6319 124 Y 4.3880 7.0821 117.1416 61.0956 37.8848 178.0773 125 D 4.3391 8.2698 120.1695 57.3988 41.0123 178.5705 126 K 3.7742 7.3358 119.5537 59.5305 32.0508 178.8619 127 W 4.5654 8.2789 119.2229 59.8592 28.5662 178.2676 128 E 4.1193 8.9039 119.8017 59.2098 28.9809 179.1155 129 R 4.1764 8.5922 118.5769 59.3357 30.2334 178.8593 130 K 3.9540 8.2810 118.2874 59.4014 32.0205 178.7324 131 W 4.1766 8.2967 128.3350 60.9111 30.4194 177.6381 132 Y 4.0286 7.7415 115.3777 61.3096 37.1823 178.5834 133 S 4.1520 8.3257 114.8513 61.8537 63.0329 175.1284 134 D 4.5791 8.6990 117.8699 54.1899 41.0012 176.1248 135 G 3.3651 8.1684 107.3690 47.0112 0.0000 174.1566 136 H 2.0000 7.9746 110.0293 55.4493 27.4743 175.1436 137 K 4.1584 6.6957 120.3864 54.7707 32.1694 176.1201 138 D 5.0847 8.7924 126.3251 55.4125 41.8692 176.1195 139 I 4.4831 8.6690 122.7067 59.6803 39.1452 174.7286 140 N 5.2224 8.9867 125.2960 53.2640 37.7383 175.6318 141 N 3.8949 8.1112 118.9326 53.1937 37.1270 171.5162 142 P 4.4573 0.0000 0.0000 62.4582 32.6827 176.0297 143 K 4.9417 8.6067 120.4779 54.8221 35.2439 175.6292 144 I 3.9078 8.3409 125.2710 58.9013 38.8683 173.8239 145 P 4.8151 0.0000 0.0000 62.1094 32.0546 177.7438 146 V 3.7927 8.3573 122.1178 66.1192 31.1994 178.5117 147 K 3.8617 7.9905 119.0441 59.4055 32.0996 177.8911 148 Y 3.8407 7.9367 119.9058 60.8617 38.6763 178.6500 149 V 3.5212 7.5132 112.6833 64.3727 31.5248 178.3496 150 M 3.2066 7.7013 117.8656 57.8964 31.7374 178.3442 151 E 3.9538 7.8917 118.1875 59.0851 29.8577 178.1346 152 H 4.6132 8.3883 113.9800 55.4810 29.4904 174.6245 153 G 4.3494 7.5379 107.1753 44.2420 0.0000 172.8727 154 T 4.4649 8.6733 116.3969 62.9826 69.8842 174.4256 155 K 4.1560 8.5757 127.3312 55.5162 32.3572 176.1187 156 I 4.0777 8.6624 129.8072 63.4196 38.4037 175.7322 157 Y 4.2358 7.4054 127.0128 57.7473 38.9260 174.1820 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 2 S 8.33 4.43 0.00 3.89 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 3 H 7.92 4.33 0.00 3.17 3.05 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.25 0.00 2.28 2.28 0.00 3.49 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 1.94 1.98 0.00 5 D 8.09 4.45 0.00 2.96 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 6 L 8.16 4.00 0.00 1.60 1.83 0.83 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.45 4.43 0.00 3.09 2.87 0.00 0.00 6.87 7.34 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 8 K 7.76 4.19 0.00 2.09 1.89 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 9 L 8.12 4.06 0.00 1.78 1.85 1.04 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.62 4.07 0.00 1.80 1.93 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 4.18 0.00 2.12 2.25 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 2.37 2.38 0.00 12 L 8.54 4.34 0.00 1.82 1.76 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.86 4.16 0.00 3.61 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 14 P 0.00 4.11 0.00 2.02 1.99 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.29 0.00 15 H 8.58 4.38 0.00 3.20 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.28 3.54 0.74 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 1.35 0.78 0.61 0.00 0.00 17 Q 7.26 3.66 0.00 1.81 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 18 E 8.01 3.89 0.00 2.22 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 2.31 2.30 0.00 19 Y 8.14 4.08 0.00 3.08 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 20 Q 8.19 3.81 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 21 D 8.09 4.27 0.00 2.86 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 22 L 7.76 3.84 0.00 1.85 1.59 0.89 1.13 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 23 A 7.51 3.94 1.14 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 24 L 7.75 4.01 0.00 1.84 1.68 0.89 0.89 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 25 K 7.75 4.09 0.00 1.93 1.79 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.59 7.81 26 H 7.36 4.57 0.00 3.14 3.24 0.00 5.70 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 27 G 8.66 3.82 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 0.00 0.00 0.00 28 I 7.98 4.36 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.63 0.83 0.00 0.00 29 N 8.74 4.41 0.00 2.69 2.86 0.00 0.00 6.83 8.06 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 30 D 7.72 4.65 0.00 2.68 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 31 I 8.79 3.68 1.72 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.36 0.75 0.00 0.00 32 F 7.97 5.16 0.00 3.16 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 33 Q 8.13 4.53 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.44 7.32 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 34 D 7.39 4.89 0.00 2.65 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 35 N 8.19 4.41 0.00 2.90 2.78 0.00 0.00 6.86 7.59 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 36 G 7.68 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 37 G 8.02 3.88 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 0.00 0.00 0.00 38 K 8.24 4.43 0.00 1.79 1.34 0.00 1.26 0.00 0.00 0.87 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.20 1.16 7.81 39 L 7.96 3.97 0.00 1.75 1.67 0.93 0.48 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 40 L 7.87 3.89 0.00 1.64 1.53 0.67 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.25 3.96 0.00 2.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 42 V 7.79 3.58 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 1.02 0.00 0.00 1.00 0.00 0.00 43 L 7.84 3.98 0.00 1.66 1.64 0.89 0.62 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 44 L 7.98 3.97 0.00 1.49 1.64 0.82 0.45 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 45 I 7.35 3.71 1.67 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.25 0.56 0.00 0.00 46 T 7.71 3.98 4.47 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 1.08 0.00 0.00 47 G 7.86 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 48 L 7.48 4.54 0.00 1.44 1.56 0.49 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.61 4.66 4.36 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 1.20 0.00 0.00 50 V 8.54 4.29 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 0.68 0.00 0.00 0.91 0.00 0.00 51 L 8.48 4.71 0.00 1.65 1.57 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.69 0.00 2.02 1.97 0.00 3.81 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 1.96 2.05 0.00 53 G 8.65 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 *56 G 8.87 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 57 N 8.50 4.84 0.00 2.84 2.97 0.00 0.00 6.72 8.06 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 58 D 8.24 4.71 0.00 2.48 2.65 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 0.00 0.00 0.00 0.00 59 A 7.69 5.14 1.23 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 0.00 0.00 60 V 9.10 5.22 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 0.71 0.00 0.00 0.99 0.00 0.00 61 D 8.96 5.16 0.00 2.89 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 62 N 8.87 4.23 0.00 2.75 2.94 0.00 0.00 6.84 7.35 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 63 A 8.07 4.15 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 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 65 Q 8.55 4.06 0.00 2.12 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.79 0.00 0.00 0.00 0.00 0.00 1.99 1.58 0.00 66 E 8.54 5.11 0.00 1.82 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 2.26 2.30 0.00 67 Y 8.67 4.95 0.00 2.90 2.78 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 68 E 8.63 4.32 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 1.99 1.64 0.00 69 L 8.65 4.98 0.00 1.45 1.55 0.89 0.63 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 70 K 8.93 4.80 0.00 1.32 1.75 0.00 1.24 0.00 0.00 1.09 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.63 1.57 7.81 71 S 8.96 5.72 0.00 3.88 4.10 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 72 I 8.78 4.63 1.33 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 0.31 1.08 0.68 0.00 0.00 73 N 8.78 5.22 0.00 2.84 2.71 0.00 0.00 6.85 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 74 I 9.05 4.03 1.99 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 1.26 0.81 0.98 0.00 0.00 75 D 8.55 4.59 0.00 2.87 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 76 L 7.42 4.71 0.00 1.62 1.65 0.93 0.59 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 77 T 7.21 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 1.24 0.00 0.00 78 K 8.28 4.60 0.00 1.78 1.62 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.39 7.81 79 G 7.58 4.46 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 0.00 0.00 0.00 80 F 9.16 4.76 0.00 3.32 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 81 S 8.90 4.36 0.00 3.85 4.07 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 82 T 9.39 4.63 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 1.13 0.00 0.00 83 H 7.85 4.78 0.00 3.25 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.93 4.14 0.00 2.97 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.86 4.82 0.00 3.01 3.23 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 9.25 4.42 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.26 0.00 87 N 8.28 4.91 0.00 2.31 2.91 0.00 0.00 6.01 7.76 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 88 P 0.00 4.06 0.00 1.99 1.92 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 89 V 8.04 3.53 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 0.91 0.00 0.00 0.77 0.00 0.00 90 I 7.31 3.38 1.57 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 0.15 0.00 0.00 91 I 7.53 3.67 1.97 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.04 0.91 0.00 0.00 92 A 7.47 3.97 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 93 K 7.67 3.99 0.00 1.67 1.81 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 94 Y 7.85 4.62 0.00 2.94 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 95 R 7.86 4.32 0.00 1.84 2.12 0.00 3.20 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 96 Q 8.01 4.26 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 97 V 7.15 4.51 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 0.72 0.00 0.00 1.02 0.00 0.00 98 P 0.00 4.84 0.00 2.37 2.49 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.86 0.00 99 W 9.27 5.27 0.00 3.20 2.48 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 0.00 100 I 8.54 4.89 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.86 0.00 0.00 101 F 9.32 5.07 0.00 3.00 2.47 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 0.00 102 A 9.35 5.24 1.18 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 0.00 0.00 103 I 8.93 5.00 2.02 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 1.00 0.00 0.00 104 Y 9.36 5.06 0.00 3.06 2.91 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 0.00 105 R 9.17 4.72 0.00 1.97 1.85 0.00 3.20 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 106 G 9.22 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 0.00 0.00 0.00 107 I 8.82 4.22 1.89 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 1.37 0.77 0.92 0.00 0.00 108 A 7.84 4.73 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 0.00 109 I 8.32 4.08 1.70 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.85 0.00 0.00 110 E 9.35 4.67 0.00 1.93 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 2.31 2.43 0.00 111 A 7.58 4.90 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 0.00 112 I 8.51 5.16 1.87 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.94 0.00 0.00 113 Y 8.99 5.77 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 0.00 114 R 8.76 5.27 0.00 1.97 1.88 0.00 3.30 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 115 L 8.99 5.27 0.00 1.76 1.58 0.90 0.85 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 0.00 116 E 8.85 4.81 0.00 1.97 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 2.34 2.48 0.00 117 P 0.00 4.42 0.00 2.25 2.42 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 118 K 8.07 3.97 0.00 1.98 2.09 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 119 D 8.38 4.56 0.00 2.80 2.79 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 0.00 120 L 7.64 4.37 0.00 0.99 0.46 -0.01 0.49 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 0.00 121 E 7.73 3.69 0.00 2.08 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 2.29 2.30 0.00 122 F 7.87 3.50 0.00 2.97 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 0.00 123 Y 7.49 3.43 0.00 2.38 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 0.00 124 Y 7.08 4.39 0.00 3.16 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 0.00 125 D 8.27 4.34 0.00 2.76 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 0.00 126 K 7.34 3.77 0.00 1.42 1.68 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.25 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.44 7.81 127 W 8.28 4.57 0.00 3.71 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 0.00 128 E 8.90 4.12 0.00 2.29 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 2.58 2.40 0.00 129 R 8.59 4.18 0.00 2.10 2.05 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 130 K 8.28 3.95 0.00 2.21 2.02 0.00 2.09 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.62 1.80 7.81 131 W 8.30 4.18 0.00 3.26 3.06 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 0.00 132 Y 7.74 4.03 0.00 3.34 3.04 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 S 8.33 4.15 0.00 4.02 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 0.00 134 D 8.70 4.58 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 0.00 135 G 8.17 3.37 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 0.00 0.00 0.00 0.00 136 H 7.97 2.00 0.00 2.73 2.55 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.70 4.16 0.00 1.89 1.66 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.32 7.81 138 D 8.79 5.08 0.00 2.72 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 0.00 139 I 8.67 4.48 1.77 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.88 0.00 0.00 140 N 8.99 5.22 0.00 2.70 2.83 0.00 0.00 6.55 8.04 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 0.00 141 N 8.11 3.89 0.00 2.32 2.85 0.00 0.00 7.28 9.02 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 0.00 142 P 0.00 4.46 0.00 1.15 1.75 0.00 3.30 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.75 0.00 143 K 8.61 4.94 0.00 1.65 1.73 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.40 7.81 144 I 8.34 3.91 1.96 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 0.62 0.94 0.43 0.00 0.00 145 P 0.00 4.82 0.00 2.25 2.01 0.00 3.56 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 2.24 2.13 0.00 146 V 8.36 3.79 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 1.08 0.00 0.00 0.70 0.00 0.00 147 K 7.99 3.86 0.00 1.85 1.78 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.24 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.79 1.45 7.81 148 Y 7.94 3.84 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 0.00 149 V 7.51 3.52 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 0.27 0.00 0.00 0.63 0.00 0.00 150 M 7.70 3.21 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.20 0.00 151 E 7.89 3.95 0.00 1.80 1.54 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 2.15 2.18 0.00 152 H 8.39 4.61 0.00 2.94 3.21 0.00 5.61 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.54 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 0.00 0.00 0.00 0.00 154 T 8.67 4.46 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 155 K 8.58 4.16 0.00 1.73 1.65 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.13 0.84 7.81 156 I 8.66 4.08 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 1.12 0.67 0.91 0.00 0.00 157 Y 7.41 4.24 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.