NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2764 8.0976 117.2732 55.9647 30.7887 174.2134 6 E 4.0796 8.4543 115.2553 56.0647 30.8832 174.1648 7 A 4.6628 8.2322 122.7692 50.4471 23.7082 176.0810 *9 T 4.5204 8.3226 104.5350 61.9493 70.6347 173.1743 10 V 5.0348 8.3357 120.3177 59.9293 34.7305 175.1116 11 G 4.3591 9.1483 109.0640 44.5099 0.0000 171.8311 12 V 5.1038 8.4364 122.9344 59.9830 34.7164 174.4409 13 D 4.7315 8.7989 120.8695 52.8673 44.9557 173.4391 14 L 5.0365 8.6347 127.0762 53.2463 44.7825 175.3282 15 V 4.5208 9.2101 125.6448 61.1984 34.7032 173.9959 16 H 4.2781 9.0021 127.9281 55.6255 30.1455 175.6172 17 I 3.6872 8.5002 129.6774 63.8850 36.9534 176.4299 18 P 4.2599 0.0000 0.0000 65.7554 31.1757 178.8270 19 G 3.6592 7.9660 103.6976 47.6761 0.0000 175.1954 20 F 4.0993 8.5267 123.1085 61.0582 39.2662 176.9731 21 A 3.6944 8.4862 120.7020 55.0902 17.8983 179.2921 22 E 3.7990 7.9359 116.7242 59.4257 30.1733 178.4704 23 Q 4.1265 7.9949 118.1352 59.1616 28.5997 178.9801 24 L 3.8104 7.4840 120.2746 57.4028 42.1213 178.2059 25 S 4.4181 7.4064 111.3100 57.3596 63.9616 174.4478 26 R 3.8589 7.0470 122.9585 56.0847 30.1963 172.6761 27 P 4.1216 0.0000 0.0000 62.7998 30.9906 170.3432 28 G 3.8982 8.5652 117.3413 44.6179 0.0000 170.8232 29 S 4.5732 7.9444 116.1980 55.7262 65.9238 174.1858 30 T 3.7857 8.5618 123.3823 67.3595 68.1647 176.4391 31 F 3.9199 7.9709 118.5458 60.4971 38.6004 177.1582 32 E 3.9857 7.3379 117.6997 58.7892 29.4487 178.0446 33 Q 4.6213 8.0795 114.5536 55.5865 30.0063 176.5435 34 V 3.8606 7.6245 120.2691 64.4869 31.9507 175.9851 35 F 5.1601 7.7738 117.9078 56.0193 40.4135 176.2815 36 S 4.6153 9.0972 120.2576 57.1854 65.2711 173.7244 37 P 4.2658 0.0000 0.0000 65.7354 30.9228 178.7705 38 L 3.9819 7.9062 118.6502 58.1987 42.0460 178.7053 39 E 4.0701 8.2012 118.1438 59.5415 29.3794 179.5965 40 R 3.9245 8.4307 118.3525 58.9832 29.8477 179.3900 41 R 3.8859 7.9446 117.4651 59.5187 30.4944 178.1312 42 H 4.2439 8.5895 118.1502 59.1894 29.2536 176.8112 43 A 3.7965 8.1961 122.6869 55.5743 17.9470 179.7275 44 Q 4.1163 7.6959 114.6845 58.7632 28.7061 179.0445 45 T 4.0079 7.4663 110.0688 63.4061 69.2379 174.6494 46 R 4.1439 6.6146 121.2923 53.6775 31.1460 176.6705 *59 A 4.0156 8.3462 125.5167 51.9534 18.3219 174.6805 60 G 3.9523 7.7910 109.3114 44.0120 0.0000 171.9995 61 S 4.2393 8.1974 121.9763 59.7489 62.9968 175.8122 62 R 3.8421 7.4233 122.4068 59.7596 29.7869 178.3944 63 T 3.8967 7.8140 114.9121 66.8096 68.5576 176.3389 64 E 3.8413 8.0645 119.9568 59.4184 29.4762 178.7736 65 H 4.1198 8.8398 118.9781 59.3144 29.9404 177.3873 66 L 3.7461 8.1588 120.8045 57.5780 41.3984 179.1684 67 A 2.7563 8.1423 121.1902 54.8445 18.1585 179.9874 68 G 3.5680 7.7518 103.5628 47.9771 0.0000 176.2327 69 R 4.0770 8.0671 120.5474 58.7221 30.1113 178.9215 70 W 4.5259 8.7315 128.2035 60.5320 30.6285 177.8413 71 A 4.1576 8.4774 121.8488 54.4604 17.7093 179.4073 72 A 3.9615 8.0690 119.2241 55.2968 18.5139 179.9618 73 K 4.0766 8.1476 116.9095 59.8618 32.1830 179.4822 74 E 3.8357 7.8811 118.5000 59.1141 29.1777 179.3137 75 A 3.9545 8.2499 121.1677 54.9693 18.4740 179.2094 76 F 4.1167 8.4734 119.4145 61.8294 39.3969 177.3497 77 I 3.5433 7.9615 119.0959 64.2967 36.7950 178.6993 78 K 3.8873 8.0846 119.0395 59.3286 31.7176 179.2268 79 A 3.9893 7.8895 120.0357 54.8270 18.6792 179.2554 80 W 4.1595 7.9095 126.7200 60.7460 30.7605 178.3122 81 S 3.8916 8.0399 115.2061 61.8265 62.2976 176.8567 82 Q 4.1100 8.5547 120.7359 58.8095 28.2056 178.5630 83 A 4.2355 7.7881 120.6621 53.5359 18.7443 177.4870 84 I 4.5591 7.5833 112.0122 59.8223 38.1505 174.9687 85 Y 4.1775 7.6176 121.2788 60.7519 38.9148 176.5309 86 G 3.7753 8.3969 114.7506 44.9901 0.0000 173.0907 87 K 4.5865 7.3499 118.0808 53.5567 34.6122 174.4757 88 P 4.3756 0.0000 0.0000 61.5037 31.9548 174.8665 89 P 4.0823 0.0000 0.0000 62.9476 31.8985 177.1790 90 V 3.6271 7.9513 121.8739 65.4277 31.7769 176.2156 91 I 4.4487 6.8530 118.4472 58.9117 39.3536 175.3572 92 E 4.0683 8.4592 124.2980 55.4799 29.8072 176.1992 93 P 4.1972 0.0000 0.0000 65.9180 31.2933 177.8379 94 D 4.5466 8.1443 116.0015 54.6785 39.1296 176.3434 95 L 4.6145 8.1007 118.5344 54.3015 43.2684 176.8176 96 V 3.4560 7.3040 119.3263 62.5617 31.8997 175.0936 97 N 4.7042 8.4329 125.9877 52.0807 38.2052 175.2123 98 F 4.1418 8.7385 125.5790 59.9666 39.3703 177.8399 99 A 4.2117 7.9954 122.3400 54.6087 18.0691 178.0763 100 E 4.2027 8.4283 114.7454 57.5930 29.8266 176.1991 101 I 4.2076 7.6286 121.0141 59.5141 36.8294 173.3682 102 E 4.7191 8.9075 127.4632 54.3997 31.8418 174.5811 103 V 4.3530 9.1551 128.0255 61.8611 32.3405 175.0243 104 L 4.6079 9.0771 132.7685 52.9833 43.0597 173.6593 105 P 5.1918 0.0000 0.0000 62.3134 33.0040 176.1299 106 D 4.7172 8.6406 122.0342 52.1672 41.5031 176.7825 107 R 3.6383 8.1797 117.8644 58.1319 29.8930 177.1626 108 W 4.5981 8.7212 116.0301 56.6509 29.5239 176.5242 109 G 4.0625 8.4125 107.0467 44.9563 0.0000 174.4950 110 R 4.3452 8.0991 118.9989 56.0458 31.5044 175.8049 111 V 5.0045 8.4007 114.8179 59.6229 34.9587 174.9300 112 A 4.7793 8.7062 124.6443 50.1078 22.8528 175.0980 113 L 4.7272 8.5802 121.4751 54.2595 42.9665 176.3490 114 Q 4.4837 9.4904 122.4651 54.3821 30.9101 174.5097 115 L 5.0237 8.4053 124.3451 53.3804 43.4376 175.8949 116 K 4.5079 8.5235 120.7982 54.5665 36.9275 177.6880 117 G 3.7865 8.8003 108.4193 45.3416 0.0000 175.6892 118 E 3.9215 9.1963 121.0402 59.0904 29.4166 178.4878 119 V 3.7412 8.1720 117.9806 66.1409 31.7291 177.7928 120 A 3.8043 7.7479 119.7653 55.0389 18.2040 179.4848 121 A 3.9164 8.0582 119.1770 55.4059 18.4439 180.0980 122 K 4.1205 8.4056 117.1662 59.0569 32.1194 179.4477 123 L 3.3669 7.8836 121.0910 57.8757 41.9324 178.5512 124 Q 4.0880 7.7538 119.4018 59.4335 28.7325 178.5063 125 E 4.0579 8.0167 117.2541 59.2951 29.7626 178.8850 126 S 4.4253 8.4317 115.1789 60.5820 63.4050 174.9822 127 I 4.5636 7.8485 110.8577 59.2487 39.5210 176.5242 128 G 3.8888 8.0167 107.9490 44.9357 0.0000 172.8436 129 D 4.5277 8.4519 120.9386 54.5499 41.5535 175.7674 130 V 4.8802 8.0284 114.8756 59.6160 36.2387 174.2455 131 E 4.7181 9.3357 123.1695 54.4846 32.2566 174.5307 132 L 5.4151 8.7006 125.7775 52.9776 44.6771 175.6249 133 A 4.8288 9.0831 123.5255 50.1492 22.4391 174.8055 134 L 5.2674 8.5284 122.3060 53.5869 45.7734 175.3637 135 S 4.8092 8.9055 117.6141 57.0992 66.3461 172.6785 136 I 5.2604 8.2079 124.1577 59.9115 41.1109 174.5344 137 S 4.7812 9.0944 119.1340 57.3407 66.1690 172.6092 138 H 5.3820 8.2657 119.4879 54.4552 31.5926 172.0378 139 D 4.6330 9.3006 118.8401 54.4095 45.3386 176.2652 140 G 3.7982 8.2960 113.0940 47.6173 0.0000 174.0008 141 D 4.7368 8.7989 124.4453 53.8919 41.0835 174.7311 142 Y 5.2854 8.1469 116.5003 56.2703 42.5862 174.1425 143 A 5.4179 9.0957 123.3141 50.6543 22.8539 175.0527 144 T 5.2334 9.1371 113.3774 60.6453 71.5781 172.5837 145 A 5.1900 8.8245 127.1296 50.2801 23.4726 174.6869 146 L 5.1832 8.8110 120.9701 53.3677 45.8639 174.8069 147 C 5.4193 9.1794 125.7629 57.4864 34.8020 171.9612 148 L 5.1092 8.9591 128.1876 53.1718 44.2021 174.4513 149 L 5.1641 8.6711 128.2274 53.4027 44.2815 175.4426 150 R 5.1476 9.1893 126.0002 54.7646 33.0807 174.7777 151 Y 5.0426 8.6307 120.3905 56.2575 42.3893 172.8721 152 Q 4.6689 8.6698 120.8149 54.0618 30.7371 175.4095 153 R 4.2736 7.8679 121.1676 56.4665 29.7525 176.1839 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 5 R 8.10 4.28 0.00 2.01 2.15 0.00 2.92 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 6 E 8.45 4.08 0.00 2.10 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 2.21 2.27 0.00 7 A 8.23 4.66 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 T 8.32 4.52 4.29 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 1.36 0.00 0.00 10 V 8.34 5.03 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 0.75 0.00 0.00 0.95 0.00 0.00 11 G 9.15 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 0.00 0.00 0.00 0.00 12 V 8.44 5.10 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 0.74 0.00 0.00 0.96 0.00 0.00 13 D 8.80 4.73 0.00 2.74 2.54 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 14 L 8.63 5.04 0.00 1.67 1.56 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 V 9.21 4.52 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 0.97 0.00 0.00 1.03 0.00 0.00 16 H 9.00 4.28 0.00 3.24 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.50 3.69 1.79 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 1.40 0.48 0.88 0.00 0.00 18 P 0.00 4.26 0.00 2.00 2.05 0.00 2.83 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 19 G 7.97 3.66 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 0.00 0.00 0.00 20 F 8.53 4.10 0.00 3.06 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 21 A 8.49 3.69 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 22 E 7.94 3.80 0.00 1.96 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 0.00 2.29 2.47 0.00 23 Q 7.99 4.13 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 24 L 7.48 3.81 0.00 0.93 1.48 0.51 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.41 4.42 0.00 3.97 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 26 R 7.05 3.86 0.00 1.96 1.86 0.00 3.40 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 27 P 0.00 4.12 0.00 2.06 2.05 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 28 G 8.57 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 29 S 7.94 4.57 0.00 4.01 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 30 T 8.56 3.79 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 0.98 0.00 0.00 31 F 7.97 3.92 0.00 2.91 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 32 E 7.34 3.99 0.00 2.25 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 2.37 2.43 0.00 33 Q 8.08 4.62 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 34 V 7.62 3.86 1.72 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 0.34 0.00 0.00 0.63 0.00 0.00 35 F 7.77 5.16 0.00 3.22 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 36 S 9.10 4.62 0.00 4.13 4.27 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 37 P 0.00 4.27 0.00 2.21 2.18 0.00 3.65 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 2.15 2.19 0.00 38 L 7.91 3.98 0.00 1.73 1.88 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.20 4.07 0.00 2.49 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 0.00 2.46 2.47 0.00 40 R 8.43 3.92 0.00 2.06 2.00 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.96 0.00 41 R 7.94 3.89 0.00 1.97 2.00 0.00 3.18 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 1.67 1.91 0.00 42 H 8.59 4.24 0.00 3.21 3.35 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.20 3.80 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 44 Q 7.70 4.12 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 45 T 7.47 4.01 4.17 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 1.22 0.00 0.00 46 R 6.61 4.14 0.00 1.78 1.81 0.00 3.31 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 *59 A 8.35 4.02 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 60 G 7.79 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.20 4.24 0.00 3.85 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 62 R 7.42 3.84 0.00 1.84 1.87 0.00 3.02 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 63 T 7.81 3.90 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 1.30 0.00 0.00 64 E 8.06 3.84 0.00 2.04 1.69 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 2.32 2.31 0.00 65 H 8.84 4.12 0.00 3.24 3.49 0.00 5.78 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 66 L 8.16 3.75 0.00 1.93 1.61 0.68 -0.20 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 67 A 8.14 2.76 0.92 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 68 G 7.75 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 69 R 8.07 4.08 0.00 2.21 2.40 0.00 3.18 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 70 W 8.73 4.53 0.00 3.47 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 71 A 8.48 4.16 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 A 8.07 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.15 4.08 0.00 1.93 2.22 0.00 2.04 0.00 0.00 2.00 0.00 0.00 3.32 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.83 1.89 7.81 74 E 7.88 3.84 0.00 1.91 1.80 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 1.47 1.47 0.00 75 A 8.25 3.95 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 76 F 8.47 4.12 0.00 3.12 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 77 I 7.96 3.54 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.95 0.86 0.00 0.00 78 K 8.08 3.89 0.00 2.02 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.52 7.81 79 A 7.89 3.99 1.35 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 80 W 7.91 4.16 0.00 2.66 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 81 S 8.04 3.89 0.00 3.98 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 82 Q 8.55 4.11 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 83 A 7.79 4.24 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.58 4.56 1.84 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.97 0.94 0.00 0.00 85 Y 7.62 4.18 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 86 G 8.40 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 87 K 7.35 4.59 0.00 1.81 1.67 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 88 P 0.00 4.38 0.00 1.97 1.91 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 89 P 0.00 4.08 0.00 1.88 1.78 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 90 V 7.95 3.63 1.71 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 0.95 0.00 0.00 0.89 0.00 0.00 91 I 6.85 4.45 1.73 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 1.45 0.80 0.86 0.00 0.00 92 E 8.46 4.07 0.00 1.96 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 2.35 2.21 0.00 93 P 0.00 4.20 0.00 2.23 2.30 0.00 3.66 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 2.06 1.93 0.00 94 D 8.14 4.55 0.00 2.81 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.10 4.61 0.00 1.75 1.68 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.30 3.46 1.67 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 -0.07 0.00 0.00 0.82 0.00 0.00 97 N 8.43 4.70 0.00 2.76 2.87 0.00 0.00 7.23 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 98 F 8.74 4.14 0.00 3.24 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 99 A 8.00 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.43 4.20 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 101 I 7.63 4.21 2.13 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 0.89 0.54 0.84 0.00 0.00 102 E 8.91 4.72 0.00 2.08 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 2.25 2.29 0.00 103 V 9.16 4.35 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 0.81 0.00 0.00 1.06 0.00 0.00 104 L 9.08 4.61 0.00 1.75 1.64 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.19 0.00 1.96 1.93 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 106 D 8.64 4.72 0.00 3.07 2.97 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 0.00 107 R 8.18 3.64 0.00 1.03 0.66 0.00 2.31 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.17 0.00 108 W 8.72 4.60 0.00 3.54 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 0.00 109 G 8.41 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.10 4.35 0.00 2.01 1.92 0.00 3.28 0.00 0.00 3.41 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.17 0.00 111 V 8.40 5.00 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 0.74 0.00 0.00 0.96 0.00 0.00 112 A 8.71 4.78 1.20 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 0.00 0.00 113 L 8.58 4.73 0.00 1.48 1.43 0.99 0.81 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 0.00 114 Q 9.49 4.48 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 115 L 8.41 5.02 0.00 1.38 1.41 0.55 0.11 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 0.00 116 K 8.52 4.51 0.00 1.76 1.84 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.37 7.81 117 G 8.80 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 0.00 118 E 9.20 3.92 0.00 2.07 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 2.44 2.43 0.00 119 V 8.17 3.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.09 0.00 0.00 120 A 7.75 3.80 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 0.00 121 A 8.06 3.92 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 0.00 122 K 8.41 4.12 0.00 2.15 2.17 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.71 7.81 123 L 7.88 3.37 0.00 0.73 1.46 -0.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.75 4.09 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 125 E 8.02 4.06 0.00 2.21 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 0.00 2.56 2.37 0.00 126 S 8.43 4.43 0.00 4.20 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 I 7.85 4.56 1.68 0.00 0.00 0.53 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 0.61 0.85 0.00 0.00 128 G 8.02 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 0.00 0.00 0.00 129 D 8.45 4.53 0.00 2.70 2.62 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 0.00 130 V 8.03 4.88 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 0.66 0.00 0.00 0.90 0.00 0.00 131 E 9.34 4.72 0.00 2.03 1.78 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 2.20 2.31 0.00 132 L 8.70 5.42 0.00 1.55 1.59 0.90 0.95 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 0.00 133 A 9.08 4.83 1.21 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 0.00 0.00 134 L 8.53 5.27 0.00 1.63 1.52 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.91 4.81 0.00 3.92 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 0.00 136 I 8.21 5.26 1.88 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 1.25 0.81 0.95 0.00 0.00 137 S 9.09 4.78 0.00 3.83 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 0.00 138 H 8.27 5.38 0.00 3.30 3.23 0.00 5.82 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 0.00 139 D 9.30 4.63 0.00 2.75 2.54 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 0.00 140 G 8.30 3.80 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 0.00 0.00 0.00 141 D 8.80 4.74 0.00 2.64 2.27 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 0.00 142 Y 8.15 5.29 0.00 2.99 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 9.10 5.42 1.21 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 0.00 0.00 144 T 9.14 5.23 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 145 A 8.82 5.19 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 0.00 146 L 8.81 5.18 0.00 1.68 1.48 0.94 0.75 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 0.00 147 C 9.18 5.42 0.00 3.08 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 0.00 148 L 8.96 5.11 0.00 1.81 1.52 1.02 0.64 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 0.00 149 L 8.67 5.16 0.00 1.74 1.58 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 150 R 9.19 5.15 0.00 1.91 1.81 0.00 3.50 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 151 Y 8.63 5.04 0.00 3.10 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 0.00 152 Q 8.67 4.67 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.08 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 153 R 7.87 4.27 0.00 2.09 1.84 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.