NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5329 8.1444 118.3743 57.4740 39.6350 174.6735 3 S 4.2075 8.3168 115.8413 57.6113 64.4114 172.7401 4 I 3.9605 8.3048 121.0984 63.5613 38.2623 176.7098 5 E 3.7714 7.9892 119.8271 59.2258 29.5669 178.8465 6 V 3.6034 7.6538 117.8256 65.7924 31.6462 178.0036 7 R 3.8307 7.5758 116.7588 59.6655 29.5143 178.8953 8 T 4.0084 8.5129 115.6658 67.1467 67.8795 176.0425 9 H 4.3117 8.5652 118.2598 59.3410 28.9374 177.9487 10 S 4.3660 8.2809 116.4019 61.5875 62.5596 176.5191 11 A 3.9981 8.2071 123.4509 55.0426 18.0072 179.4241 12 L 4.2539 8.0210 117.0576 58.7874 41.8449 179.6268 13 H 4.2632 7.9399 116.1824 58.6500 28.5730 178.1191 14 V 3.8795 7.6987 119.7104 66.1911 31.4907 178.0887 15 V 3.5301 8.5460 118.9772 65.9043 31.2318 177.7376 16 K 3.8951 8.5988 119.7491 59.5298 32.0203 178.8768 17 G 2.6359 8.0705 105.5783 46.7370 0.0000 175.4951 18 A 3.6346 7.8522 123.1913 54.6763 18.4108 179.8096 19 V 3.3654 8.1272 117.1049 66.1615 31.4659 178.4926 20 V 3.4003 7.4518 117.9067 65.5860 31.0738 178.1774 21 K 3.7506 7.3512 117.6519 59.0432 31.8529 179.2186 22 V 3.7001 7.3186 117.4677 65.8038 31.7892 177.7255 23 L 4.2137 7.6780 116.2037 54.6558 42.1403 177.6075 24 G 3.8411 8.2087 106.8816 44.0550 0.0000 173.9802 25 S 3.9289 8.5651 111.9126 61.5368 62.5087 176.6115 26 E 3.9636 8.3368 118.6620 58.5371 28.5305 177.5091 27 A 4.9854 8.2574 119.8302 50.7643 19.1627 178.1546 28 K 3.6836 7.8860 118.3183 59.0999 33.0014 177.0569 29 W 4.9609 7.3570 121.9009 55.7083 29.9952 175.3403 30 T 4.6765 8.6561 120.7860 63.7327 68.9160 174.8547 31 Y 4.5713 9.8922 128.5217 59.7671 40.0390 175.0539 32 S 4.7499 7.9511 111.0643 58.4337 66.1116 174.1172 33 T 5.3303 8.4379 115.3585 62.7068 72.7517 173.0420 34 Y 4.8091 8.8214 123.7052 56.4261 42.8125 173.6123 35 V 4.5133 7.1250 125.3779 60.7992 34.5794 174.7792 36 K 4.2170 8.7169 128.9151 55.4461 35.0078 176.6746 37 G 3.7896 8.2436 118.7722 47.1136 0.0000 172.9233 38 N 4.8431 8.7648 122.2681 51.2751 37.6522 173.5488 39 K 4.9214 8.1219 119.2986 55.0777 34.8789 175.5891 40 G 3.9111 8.3708 109.7570 44.3099 0.0000 171.6993 41 V 4.7034 8.7288 120.9457 60.8771 34.8587 173.7798 42 L 5.0498 8.8276 130.9029 53.5191 43.9292 174.8698 43 I 4.9995 8.8499 127.7663 59.7558 39.4737 174.8410 44 V 4.6782 8.6165 127.2807 60.6705 34.4322 174.4879 45 K 4.7030 9.2908 128.6412 56.6103 33.1527 175.4906 46 F 5.1951 9.0647 128.3560 57.9425 42.7757 173.2278 47 D 4.9340 7.3697 119.7588 52.9307 40.0675 175.6669 48 R 3.3902 5.8922 114.6722 54.2383 32.3149 174.1462 49 K 4.0773 7.6693 119.7157 54.3590 32.1426 174.6772 50 P 4.5881 0.0000 0.0000 62.4372 32.1553 177.2243 51 S 4.4170 8.7221 116.6423 58.0826 65.1397 175.0137 52 D 4.4346 8.7615 122.5031 57.8896 40.3831 179.4019 53 E 3.9295 8.0767 118.2347 59.5199 29.6082 178.9207 54 E 3.9566 7.8663 118.5443 59.4304 29.4283 179.4308 55 I 3.6873 7.7966 119.6861 64.5746 37.1851 178.6133 56 R 3.9083 7.9144 118.6596 59.3365 29.8569 178.7364 57 E 3.9203 8.5510 119.3886 59.2171 29.4946 178.8413 58 I 3.6420 8.0795 120.2789 64.3053 37.1656 177.6996 59 E 3.8857 8.3325 120.0728 59.5247 29.3864 178.8551 60 R 3.8732 8.6296 118.7895 59.4413 30.1202 178.3889 61 L 4.0461 8.2351 118.5696 57.7188 41.5496 179.1445 62 A 4.1443 8.4116 121.0045 55.6366 18.3672 179.5271 63 N 4.2571 8.3678 114.8268 56.2548 38.5593 177.3151 64 E 3.8552 8.4599 121.2200 59.1744 29.5159 178.8718 65 K 3.5699 7.6871 118.4881 58.9547 32.2973 178.7943 66 V 3.5810 7.2698 118.7488 65.7789 31.2729 177.9813 67 K 3.9292 7.7259 118.1329 59.2536 32.0784 177.9571 68 E 3.9041 7.8108 117.8565 56.5090 30.1450 175.5560 69 N 4.0667 7.7892 116.2145 54.6491 38.2755 173.6882 70 A 4.3570 7.6639 118.5991 50.9608 20.2653 176.3576 71 P 4.6929 0.0000 0.0000 62.7498 32.5550 176.1722 72 I 4.3171 8.9160 126.1554 59.9058 37.6499 175.1357 73 K 4.1084 8.6538 127.9483 55.8593 33.3108 176.7550 74 I 4.7860 8.1040 126.8056 59.7461 36.6805 175.0124 75 Y 4.2073 8.7796 124.4559 57.8960 39.5523 174.3720 76 E 5.3137 8.5112 121.3266 53.7815 29.9983 174.3052 77 L 4.7569 8.0999 123.6774 52.0593 44.8287 174.2572 78 P 4.5985 0.0000 0.0000 62.2566 31.3114 177.0856 79 R 3.7884 8.3657 120.5515 60.3543 30.2201 177.8439 80 E 4.0310 8.0336 118.3998 58.3085 30.1624 178.1105 81 E 4.0673 8.4067 118.5746 59.7806 29.7391 178.7467 82 A 4.1841 7.3785 120.4133 54.1630 18.9252 178.4885 83 E 4.0523 8.2477 117.7564 59.0527 30.2137 178.3976 84 K 4.3551 7.5899 116.9507 55.8488 31.6850 177.2775 *86 F 4.6011 7.8553 117.0065 55.8174 40.7767 177.0918 87 G 3.9335 8.1774 110.0970 44.0924 0.0000 173.4881 88 E 4.4592 8.9097 115.4872 59.5677 29.6622 177.5512 89 D 4.1856 7.2116 122.2954 53.9811 40.6128 175.4030 *91 Y 4.7934 7.5113 114.8865 58.4408 39.3430 174.3372 92 D 5.1822 8.4473 120.8434 52.4904 43.4101 176.2637 93 L 3.6025 8.9277 121.8700 57.8348 41.7778 177.1034 94 F 4.5255 7.8500 118.2122 54.5454 39.3928 173.3643 95 P 4.1620 0.0000 0.0000 62.4545 31.3183 176.3071 96 V 3.8931 7.5775 111.4431 60.0038 30.9472 174.8463 97 P 4.3297 0.0000 0.0000 62.9627 31.9755 177.5730 98 E 4.1816 8.7237 120.4791 59.3250 29.6219 178.3782 99 D 4.7698 7.4841 116.0794 53.2795 39.1701 175.7725 100 V 4.4928 7.4788 118.9050 61.7867 33.4708 175.6584 101 R 4.6746 8.1946 126.5564 55.3330 31.3208 175.4926 102 I 4.2133 7.7218 116.1273 60.8261 39.6469 172.8811 103 L 4.6619 8.5428 130.0590 53.3669 44.2335 176.4610 104 K 4.8173 8.6089 122.3913 54.8492 33.3417 174.8993 105 V 4.3098 8.1804 126.0509 60.4000 32.8584 175.5699 106 V 4.1851 8.8351 127.2683 62.2941 32.9250 175.2498 107 V 5.0052 9.1454 120.3705 59.7662 36.3640 174.9898 108 I 4.3877 8.7960 124.0046 59.6315 40.3631 174.1564 109 E 3.8278 8.8537 126.5120 57.1193 29.8013 175.9493 110 D 4.5166 9.0509 123.9573 54.8557 40.1300 172.8554 111 W 4.6648 8.3696 124.9527 57.4481 32.6228 174.1950 112 N 4.8408 7.6920 113.7683 52.5298 41.8496 172.9627 113 V 4.7999 8.3022 124.3228 60.0136 34.1750 174.2225 114 N 4.9796 9.2672 123.7171 51.5656 42.9032 173.0889 115 A 4.6856 8.6671 127.7815 52.0519 18.8204 176.1841 116 C 4.9304 9.0181 122.2089 58.6087 34.7889 173.6347 117 N 4.8656 8.8154 120.2938 52.4315 38.1868 174.8730 118 K 4.1315 7.7271 118.3369 56.1583 32.8429 175.5866 119 E 4.2591 8.4059 121.3155 55.9241 30.2708 175.3085 120 H 5.0078 8.3981 121.9880 53.9715 32.0740 173.7589 121 T 3.1803 7.8245 117.9272 62.5593 69.2072 175.5478 122 K 4.0679 8.2984 126.1950 59.0302 32.5410 177.0520 123 T 5.0487 7.9816 107.5834 59.0443 71.8321 174.8814 124 T 3.8894 8.9093 113.7377 64.6918 68.3155 177.0097 125 G 3.6311 7.9843 108.2370 47.4255 0.0000 174.5618 126 E 4.1454 7.6216 118.4458 57.4315 29.5868 178.6372 127 I 3.9168 7.4221 120.8621 63.0480 37.6709 176.5499 128 G 3.9224 7.2602 103.3844 43.2538 0.0000 170.7764 129 P 4.6232 0.0000 0.0000 63.3098 32.0573 175.3742 130 I 4.9100 9.5742 125.2295 59.4079 39.6381 174.9605 131 K 4.7859 8.9140 126.6883 54.7266 35.2326 174.7466 132 I 4.7643 9.3428 129.2163 60.9727 37.2838 175.9388 133 R 4.4686 8.9360 126.6209 57.3826 31.6511 176.8591 134 K 4.4669 7.6566 117.0766 55.3469 35.6695 174.0930 135 V 5.0439 8.6022 126.3961 61.1423 34.0254 174.3396 136 R 4.7569 9.1255 127.9337 54.4677 33.1140 173.4906 137 F 5.4041 9.0113 128.0644 56.8053 41.5607 175.6323 138 R 4.1065 8.1455 125.9383 53.5956 29.6495 176.6095 139 K 3.3866 7.4681 123.9613 59.1389 32.1975 177.0611 140 S 3.9484 7.3854 110.9717 61.9452 62.4277 174.8589 141 K 4.0183 7.7393 120.7634 56.5573 33.1680 176.9133 142 G 3.9168 8.0190 107.8834 46.9450 0.0000 173.1393 143 L 5.3319 7.2294 117.0803 52.6011 46.2351 176.8643 144 L 5.2918 9.4803 124.8866 53.4999 44.7971 174.6681 145 E 4.9686 9.7348 126.7639 54.9895 31.8119 175.0699 146 I 4.7407 8.8745 127.0878 60.0478 38.8904 174.0900 147 H 5.2769 9.4526 125.9460 54.7189 30.4514 174.8278 148 F 5.6284 8.5559 117.1485 56.1203 42.2011 172.6858 149 E 5.2755 9.6169 116.0328 55.0934 32.8812 174.6868 150 L 4.8699 8.5515 122.0861 54.7635 42.7021 176.3043 151 L 4.8262 8.1914 121.7721 53.2118 43.7637 176.6809 152 E 4.2710 8.6422 120.2804 55.5729 31.5950 176.5300 153 L 3.9735 8.3933 117.6192 55.5300 41.8734 174.7325 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 Y 8.14 4.53 0.00 2.91 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 3 S 8.32 4.21 0.00 4.00 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 4 I 8.30 3.96 1.88 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 1.53 1.20 0.90 0.00 0.00 5 E 7.99 3.77 0.00 2.00 1.84 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 2.10 2.17 0.00 6 V 7.65 3.60 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 1.05 0.00 0.00 0.99 0.00 0.00 7 R 7.58 3.83 0.00 2.20 1.97 0.00 3.25 0.00 0.00 3.49 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 8 T 8.51 4.01 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 1.28 0.00 0.00 9 H 8.57 4.31 0.00 3.34 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.28 4.37 0.00 4.04 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 11 A 8.21 4.00 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 12 L 8.02 4.25 0.00 2.12 1.90 1.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.94 4.26 0.00 3.55 3.41 0.00 5.82 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 14 V 7.70 3.88 2.22 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 1.02 0.00 0.00 0.87 0.00 0.00 15 V 8.55 3.53 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 0.88 0.00 0.00 0.22 0.00 0.00 16 K 8.60 3.90 0.00 1.93 1.95 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.38 7.81 17 G 8.07 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 0.00 0.00 0.00 18 A 7.85 3.63 1.49 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 0.00 0.00 19 V 8.13 3.37 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 0.77 0.00 0.00 0.90 0.00 0.00 20 V 7.45 3.40 1.85 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 0.82 0.00 0.00 0.71 0.00 0.00 21 K 7.35 3.75 0.00 1.61 1.69 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.83 1.10 7.81 22 V 7.32 3.70 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 0.83 0.00 0.00 0.90 0.00 0.00 23 L 7.68 4.21 0.00 1.29 1.15 0.29 0.81 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 24 G 8.21 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 0.00 0.00 0.00 25 S 8.57 3.93 0.00 3.93 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 0.00 26 E 8.34 3.96 0.00 2.25 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 2.41 2.41 0.00 27 A 8.26 4.99 0.70 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 0.00 0.00 28 K 7.89 3.68 0.00 1.30 1.57 0.00 1.28 0.00 0.00 1.32 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.98 0.21 7.81 29 W 7.36 4.96 0.00 3.68 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 30 T 8.66 4.68 4.55 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 1.37 0.00 0.00 31 Y 9.89 4.57 0.00 2.90 3.18 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 32 S 7.95 4.75 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 33 T 8.44 5.33 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 1.28 0.00 0.00 34 Y 8.82 4.81 0.00 3.02 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 35 V 7.13 4.51 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 0.69 0.00 0.00 0.96 0.00 0.00 36 K 8.72 4.22 0.00 2.00 1.71 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.47 7.81 37 G 8.24 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 38 N 8.76 4.84 0.00 2.90 3.05 0.00 0.00 6.61 6.52 0.00 0.00 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 K 8.12 4.92 0.00 1.80 1.69 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.52 7.81 40 G 8.37 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 41 V 8.73 4.70 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 0.76 0.00 0.00 0.98 0.00 0.00 42 L 8.83 5.05 0.00 2.06 1.71 1.01 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.85 5.00 2.11 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 1.16 0.89 0.92 0.00 0.00 44 V 8.62 4.68 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 1.00 0.00 0.00 1.02 0.00 0.00 45 K 9.29 4.70 0.00 2.04 1.90 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.57 7.81 46 F 9.06 5.20 0.00 3.04 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 47 D 7.37 4.93 0.00 2.63 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 48 R 5.89 3.39 0.00 1.51 1.47 0.00 2.87 0.00 0.00 2.89 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.38 0.00 49 K 7.67 4.08 0.00 1.76 1.73 0.00 1.78 0.00 0.00 1.88 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.54 7.81 50 P 0.00 4.59 0.00 2.10 1.99 0.00 3.78 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 51 S 8.72 4.42 0.00 4.07 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 52 D 8.76 4.43 0.00 2.75 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 53 E 8.08 3.93 0.00 1.98 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 2.40 2.35 0.00 54 E 7.87 3.96 0.00 2.06 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 2.33 2.36 0.00 55 I 7.80 3.69 2.06 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 1.75 0.91 0.94 0.00 0.00 56 R 7.91 3.91 0.00 2.05 1.99 0.00 3.30 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 57 E 8.55 3.92 0.00 2.05 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 0.00 2.30 2.39 0.00 58 I 8.08 3.64 2.08 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 1.33 0.65 0.88 0.00 0.00 59 E 8.33 3.89 0.00 2.04 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 0.00 2.32 2.34 0.00 60 R 8.63 3.87 0.00 1.88 2.00 0.00 3.16 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 61 L 8.24 4.05 0.00 2.15 1.95 1.10 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.41 4.14 1.37 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 63 N 8.37 4.26 0.00 2.82 2.85 0.00 0.00 6.76 7.83 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 64 E 8.46 3.86 0.00 2.11 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 2.22 2.27 0.00 65 K 7.69 3.57 0.00 0.79 1.43 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.85 7.81 66 V 7.27 3.58 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 0.95 0.00 0.00 0.96 0.00 0.00 67 K 7.73 3.93 0.00 1.74 1.91 0.00 1.71 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 68 E 7.81 3.90 0.00 1.99 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 0.00 2.23 2.23 0.00 69 N 7.79 4.07 0.00 2.79 2.74 0.00 0.00 7.13 8.12 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 70 A 7.66 4.36 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.69 0.00 2.07 2.04 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 72 I 8.92 4.32 2.04 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.78 0.00 0.00 73 K 8.65 4.11 0.00 1.90 1.51 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.36 1.42 7.81 74 I 8.10 4.79 1.85 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 1.35 0.55 0.93 0.00 0.00 75 Y 8.78 4.21 0.00 2.99 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 76 E 8.51 5.31 0.00 1.96 1.84 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 2.23 2.21 0.00 77 L 8.10 4.76 0.00 1.71 1.64 1.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.60 0.00 2.21 2.00 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 79 R 8.37 3.79 0.00 1.78 1.97 0.00 3.25 0.00 0.00 3.36 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 80 E 8.03 4.03 0.00 1.99 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 2.32 2.42 0.00 81 E 8.41 4.07 0.00 2.37 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 2.27 0.00 82 A 7.38 4.18 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 0.00 0.00 0.00 0.00 0.00 83 E 8.25 4.05 0.00 2.18 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 2.40 2.44 0.00 84 K 7.59 4.36 0.00 1.75 1.73 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.45 7.81 *86 F 7.86 4.60 0.00 3.06 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 87 G 8.18 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 88 E 8.91 4.46 0.00 2.52 2.33 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 2.42 2.55 0.00 89 D 7.21 4.19 0.00 2.98 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 *91 Y 7.51 4.79 0.00 3.40 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 92 D 8.45 5.18 0.00 2.79 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 93 L 8.93 3.60 0.00 1.89 1.45 0.88 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.85 4.53 0.00 2.92 2.86 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 95 P 0.00 4.16 0.00 1.75 1.59 0.00 3.69 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.81 0.00 96 V 7.58 3.89 2.11 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 0.84 0.00 0.00 0.98 0.00 0.00 97 P 0.00 4.33 0.00 2.16 2.08 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 98 E 8.72 4.18 0.00 2.02 2.00 0.00 0.00 0.00 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 2.27 0.00 99 D 7.48 4.77 0.00 2.88 2.76 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 0.00 100 V 7.48 4.49 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 0.87 0.00 0.00 0.95 0.00 0.00 101 R 8.19 4.67 0.00 1.78 1.87 0.00 3.38 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 102 I 7.72 4.21 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.94 0.00 0.00 103 L 8.54 4.66 0.00 1.80 1.60 1.03 0.50 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 0.00 104 K 8.61 4.82 0.00 1.72 1.88 0.00 1.68 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.44 7.81 105 V 8.18 4.31 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 -0.09 0.00 0.00 106 V 8.84 4.19 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 0.76 0.00 0.00 0.97 0.00 0.00 107 V 9.15 5.01 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 0.59 0.00 0.00 1.28 0.00 0.00 108 I 8.80 4.39 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.76 0.83 0.00 0.00 109 E 8.85 3.83 0.00 1.96 1.92 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 2.34 2.47 0.00 110 D 9.05 4.52 0.00 2.86 2.76 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 0.00 111 W 8.37 4.66 0.00 3.47 3.13 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 0.00 0.00 0.00 0.00 112 N 7.69 4.84 0.00 2.77 2.72 0.00 0.00 6.58 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 0.00 113 V 8.30 4.80 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 0.72 0.00 0.00 0.55 0.00 0.00 114 N 9.27 4.98 0.00 2.65 2.65 0.00 0.00 6.66 7.78 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 0.00 115 A 8.67 4.69 1.32 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 0.00 0.00 0.00 116 C 9.02 4.93 0.00 3.28 2.86 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 0.00 117 N 8.82 4.87 0.00 2.83 2.90 0.00 0.00 6.13 7.13 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 0.00 118 K 7.73 4.13 0.00 1.57 1.58 0.00 1.52 0.00 0.00 1.17 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.36 7.81 119 E 8.41 4.26 0.00 1.95 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 2.34 2.36 0.00 120 H 8.40 5.01 0.00 3.11 3.05 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.82 3.18 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 0.78 0.00 0.00 122 K 8.30 4.07 0.00 1.82 1.98 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.56 7.81 123 T 7.98 5.05 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 1.22 0.00 0.00 124 T 8.91 3.89 4.08 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 1.07 0.00 0.00 125 G 7.98 3.63 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 0.00 0.00 0.00 126 E 7.62 4.15 0.00 1.90 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 2.35 0.00 127 I 7.42 3.92 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.49 0.94 0.00 0.00 128 G 7.26 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 0.00 129 P 0.00 4.62 0.00 2.13 2.20 0.00 3.66 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 130 I 9.57 4.91 1.79 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.78 0.69 0.00 0.00 131 K 8.91 4.79 0.00 1.81 1.68 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.56 7.81 132 I 9.34 4.76 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 1.33 0.73 1.06 0.00 0.00 133 R 8.94 4.47 0.00 1.72 2.01 0.00 3.39 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 134 K 7.66 4.47 0.00 1.78 1.53 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.58 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.41 7.81 135 V 8.60 5.04 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 0.93 0.00 0.00 1.00 0.00 0.00 136 R 9.13 4.76 0.00 1.98 1.79 0.00 3.12 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 137 F 9.01 5.40 0.00 3.05 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 0.00 138 R 8.15 4.11 0.00 1.52 1.63 0.00 3.45 0.00 0.00 2.97 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 139 K 7.47 3.39 0.00 1.48 1.70 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.53 1.45 7.81 140 S 7.39 3.95 0.00 3.78 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 0.00 141 K 7.74 4.02 0.00 1.64 1.74 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.37 7.81 142 G 8.02 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 0.00 143 L 7.23 5.33 0.00 1.41 1.38 -0.26 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.48 5.29 0.00 2.02 1.77 1.14 1.16 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 0.00 145 E 9.73 4.97 0.00 2.10 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 2.26 2.29 0.00 146 I 8.87 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 1.41 1.06 1.04 0.00 0.00 147 H 9.45 5.28 0.00 3.24 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.56 5.63 0.00 3.23 3.15 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 0.00 0.00 0.00 149 E 9.62 5.28 0.00 2.11 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 0.00 2.26 2.36 0.00 150 L 8.55 4.87 0.00 1.63 1.68 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.19 4.83 0.00 1.56 1.59 1.01 0.77 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 0.00 152 E 8.64 4.27 0.00 2.08 2.00 0.00 0.00 0.00 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 2.34 0.00 153 L 8.39 3.97 0.00 1.78 1.68 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.