NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8997 8.2676 118.0733 53.5996 40.4004 172.9518 3 T 4.7730 8.3692 113.1786 59.3433 72.9065 171.1331 4 L 4.6825 9.5658 123.7253 53.8205 46.1577 175.9750 5 T 4.8656 8.6801 122.7467 62.0732 70.4602 174.1915 6 V 4.2741 8.5093 128.2978 60.7492 32.6357 175.0183 7 K 4.6970 8.6237 128.1144 56.7516 33.4719 175.9794 8 M 5.1611 8.9508 123.2032 53.6735 34.7511 174.5758 9 N 5.4279 9.0528 119.9038 51.0563 42.9625 173.7348 9A D 4.3524 8.9690 122.7698 54.8168 42.1861 175.2130 9B A 4.7853 8.5226 125.0218 50.5394 20.1214 176.4470 9C L 4.8376 8.8442 122.6119 52.5483 45.1073 178.1339 9D S 4.1578 8.6960 114.5940 60.9674 63.3128 175.5660 9E S 4.4412 8.3504 115.6784 58.2407 63.9828 175.2269 10 G 3.8319 6.4154 107.0084 46.2243 0.0000 170.8007 11 T 4.6036 8.0897 119.3599 62.5192 70.1667 174.8834 12 G 4.0463 8.8376 119.6097 46.0788 0.0000 173.0004 13 E 4.3356 8.6513 122.8020 55.8607 31.3739 176.6022 14 N 5.1752 8.9016 123.2416 52.5936 39.9701 174.5245 15 I 4.4225 8.6608 119.2015 61.1975 39.0598 174.1867 16 G 4.1498 9.2216 108.5366 44.5525 0.0000 172.7085 17 E 5.1754 8.7870 118.0632 55.4002 34.0894 174.6287 18 I 4.9839 8.6569 120.8749 59.7711 40.3782 174.8416 19 T 4.9009 8.8157 118.7052 60.5797 70.5874 173.8767 20 V 4.5805 8.9710 127.4367 61.2461 33.5569 174.7186 21 S 5.1977 8.5695 120.8528 55.5296 67.1601 172.4869 22 E 4.8632 8.5951 120.3042 55.4820 31.5675 175.5488 23 T 4.9485 8.5263 112.5292 58.9260 72.0403 172.9972 24 P 4.1425 0.0000 0.0000 64.4703 31.3351 176.8723 25 Y 4.6374 7.9976 115.3676 57.2418 39.1491 174.2143 26 G 4.0185 7.4969 106.7881 43.6244 0.0000 173.0853 27 L 4.6948 8.7779 119.7313 54.3398 43.1583 176.1981 28 L 5.0672 8.9869 125.6067 53.4777 44.5136 175.0531 29 F 4.8716 10.0472 126.6865 56.6228 40.4950 175.4035 30 T 4.7263 8.7770 123.2521 61.2207 69.3954 172.7962 31 P 4.6590 0.0000 0.0000 62.5922 32.8388 176.2905 32 H 5.0135 9.0857 117.9215 54.0063 29.1673 171.9400 33 L 5.5101 8.6792 120.8521 52.9132 46.4435 175.3169 34 N 5.1479 8.7928 117.1914 52.1640 40.9946 173.7782 35 G 3.8726 8.8171 104.5091 46.9838 0.0000 173.4044 36 L 4.6474 7.5642 117.8724 52.0559 44.9787 176.3359 37 T 4.2735 7.8146 110.8980 60.4837 69.5722 172.9566 38 P 4.4492 0.0000 0.0000 64.0004 32.3746 174.8150 39 G 3.7118 8.1707 105.9265 44.1348 0.0000 171.6468 40 I 4.9547 8.3638 119.7640 60.0277 39.3981 174.6619 41 H 5.3293 9.0719 124.4766 53.4548 31.8750 174.2731 42 G 4.0085 9.1842 110.0831 46.6587 0.0000 172.3269 43 F 5.9499 8.5479 125.5474 55.8484 42.4200 172.8807 44 H 4.7219 8.3150 121.9556 53.9517 33.9152 172.4924 45 V 4.4206 8.5003 120.8699 62.5708 32.4225 174.8095 46 H 5.1721 8.5886 124.6158 54.5753 30.6601 175.0532 47 T 4.0456 8.9613 118.2229 67.1462 68.7815 174.0223 48 N 4.7881 7.9870 117.9272 51.1133 39.7006 174.7171 49 P 4.8068 0.0000 0.0000 61.6209 30.2047 175.9936 50 S 4.6665 7.4862 111.1252 57.6624 65.8097 174.2602 51 C 5.0586 8.5330 119.4001 56.4643 40.9485 173.9459 52 M 4.6504 7.9058 120.5797 54.6085 32.6091 174.4988 53 P 4.9169 0.0000 0.0000 63.1316 32.5190 175.6295 53A G 4.2867 8.8675 107.3171 45.0937 0.0000 171.5989 53B M 5.0015 8.6880 123.2151 54.9892 33.1217 177.1253 53C K 4.2909 8.8631 125.0030 53.2191 34.5047 173.3473 53D D 4.2434 9.7096 127.6748 54.6385 38.6371 174.7402 53E G 3.6898 7.8680 108.1256 45.0082 0.0000 173.2143 53F K 4.6179 6.8685 124.3368 54.9681 35.8964 176.5947 53G E 4.5660 8.8409 124.3310 55.6284 30.3858 176.1829 53H V 4.3224 9.2256 126.4619 60.1859 33.4687 173.1477 54 P 4.4872 0.0000 0.0000 63.6690 32.5766 176.3064 55 A 5.0363 8.8371 124.9337 51.9694 16.6277 178.7419 56 L 4.0082 7.3753 123.3046 59.9451 42.1807 178.5871 57 M 4.3278 7.9497 115.5229 56.3146 32.0608 176.5673 58 A 4.3493 7.5643 121.4100 51.1240 19.4322 179.1672 59 G 4.0414 7.6806 104.5605 45.6316 0.0000 171.8650 60 G 4.1493 8.0565 107.3869 45.2377 0.0000 172.4396 61 H 4.6880 8.3758 117.0452 55.0657 29.7878 175.3227 62 L 3.7493 8.6445 125.3051 55.8365 42.7886 176.2474 63 D 5.3202 8.3283 126.0225 52.0929 41.9954 172.5237 64 P 4.3767 0.0000 0.0000 65.5611 31.8597 179.4854 65 E 3.9148 8.2584 116.8395 56.5700 30.0258 176.7956 66 K 3.8267 7.4806 117.5254 57.8341 29.8898 175.0708 67 T 4.0107 8.9123 118.5411 64.9963 69.3782 178.0574 68 G 3.9191 9.1511 107.2762 45.2424 0.0000 173.1356 68A K 4.4469 7.2370 118.5161 54.5662 34.7618 175.0063 69 H 4.9905 8.9038 121.9272 54.8882 29.7503 174.3330 70 L 4.8486 7.9864 124.3605 53.1538 42.7285 176.8738 71 G 3.3203 7.8637 105.2342 43.6817 0.0000 171.8734 72 P 4.4301 0.0000 0.0000 63.0217 31.2383 176.2142 73 Y 4.8144 7.1679 114.3461 57.6140 39.2508 174.8283 74 N 4.8321 7.7942 118.9041 51.1751 39.5303 173.6343 75 D 4.4798 8.5843 125.8461 55.4023 39.5048 177.7967 76 K 4.4487 8.2393 119.3845 56.2886 32.0238 176.5084 77 G 3.9689 7.5226 108.2282 44.6331 0.0000 172.3576 78 H 4.1758 8.5612 115.9070 56.5541 28.9859 176.4695 79 L 3.9775 8.5934 125.8268 57.6455 42.4517 177.4129 80 G 3.7985 8.1240 104.5443 46.7547 0.0000 173.1492 81 D 4.8691 7.8591 121.7115 54.2086 41.3976 175.9526 82 L 4.3966 7.6698 123.3188 52.0810 43.9735 175.0219 83 P 4.4335 0.0000 0.0000 62.1693 32.1431 176.9507 84 G 3.8908 8.7998 110.0747 46.4991 0.0000 173.1169 85 L 4.1685 9.0937 127.1838 54.7734 43.3044 175.6888 86 V 4.2731 8.4289 126.7183 61.8160 32.5947 174.8336 87 V 4.4402 8.7030 129.0386 60.9509 33.7407 175.4185 88 N 4.8834 9.3618 125.7623 52.7219 39.1604 175.9264 89 A 4.0685 8.4399 121.8226 54.6736 18.5013 178.0156 90 D 4.6788 8.1161 114.0773 53.0716 39.8710 177.6753 91 G 4.2559 8.1588 107.8208 45.8787 0.0000 173.8905 92 T 4.7597 7.9063 109.9442 59.9731 70.9552 173.6691 93 A 5.0379 8.6154 125.5074 50.7955 20.9412 176.9806 94 T 5.1986 8.3826 110.1433 60.2494 70.6198 173.7142 95 Y 4.0661 8.1761 123.3368 57.1166 38.9694 173.7364 96 P 4.6348 0.0000 0.0000 62.5968 32.4833 175.7436 97 L 4.8733 9.0664 123.0646 52.9052 45.0082 175.0308 98 L 5.0498 8.8565 125.6263 53.6879 43.7771 176.0578 99 A 4.8383 9.1781 129.7937 49.0480 18.6056 174.8290 100 P 5.2078 0.0000 0.0000 65.0783 31.5757 178.8967 101 R 4.1559 7.9364 116.1496 57.2443 30.5386 176.2134 102 L 4.4558 7.8866 119.1383 53.2370 42.8933 177.4579 93 K 5.0379 8.6654 122.1074 54.4955 34.9412 175.7806 94 S 5.3186 8.5426 112.2433 56.7494 64.6198 173.6143 95 L 3.8561 8.2161 124.8368 54.3166 43.5694 175.4364 96 S 4.6848 8.5914 122.3412 57.5968 64.1833 173.0436 97 E 4.8833 9.3264 121.4646 54.4052 32.5082 174.0308 98 L 5.0498 8.8565 125.6263 53.6879 43.7771 176.0578 99 K 4.8383 9.2281 126.3937 52.7480 32.6056 173.6290 100 G 4.7478 8.5614 107.6332 46.8783 0.0000 176.4967 101 H 4.5459 8.1264 113.8496 56.2443 28.6386 174.0134 102 S 4.5858 8.0366 113.0383 56.4370 64.2933 174.4579 115 L 4.8658 8.8339 121.1434 53.3857 44.0326 175.2394 116 M 5.1425 9.2181 123.1857 53.7372 35.7458 174.1626 117 I 4.9179 8.7599 126.0305 60.1126 40.0781 175.2824 118 H 5.1867 9.1577 125.2083 54.8157 29.8991 176.0197 119 K 4.1120 9.0887 119.4183 59.5491 32.7249 178.4196 120 G 3.8151 8.6648 107.5609 45.1547 0.0000 172.9153 121 G 4.2414 8.1964 111.3171 45.1071 0.0000 173.3609 122 D 4.6181 8.2004 122.8548 54.0353 42.5218 175.2618 123 N 4.3316 8.5158 123.6588 52.3744 37.7499 175.0235 124 Y 4.0018 9.0141 116.2630 58.9370 35.9899 169.0421 125 S 4.9338 7.7540 110.2201 58.7050 65.3443 174.3773 *130 D 4.7481 8.4310 122.1410 53.5258 42.4391 175.3850 131 K 4.7155 7.5305 118.8726 53.6655 35.0457 174.7070 132 P 4.3088 0.0000 0.0000 64.9037 31.7925 176.5382 133 A 4.6110 7.6121 120.6994 49.3333 20.5980 174.8949 134 P 4.6998 0.0000 0.0000 63.0310 32.3217 175.8794 135 L 3.3871 10.3435 117.5854 55.9649 39.2848 176.7038 136 G 4.4227 8.9808 104.5120 45.5865 0.0000 175.2305 137 G 3.6727 8.2097 107.9131 46.2501 0.0000 176.5079 138 G 3.7259 8.0062 111.5012 45.8599 0.0000 175.7773 139 G 3.7092 7.3558 105.0778 45.5932 0.0000 173.1578 140 A 4.2554 8.4609 123.6603 52.5818 19.9874 176.8869 141 R 4.4802 8.4499 118.2575 55.3923 30.9083 176.1173 142 F 4.5762 9.4123 126.8426 59.6899 41.0682 175.3134 143 A 5.0957 7.8667 118.1262 50.6689 22.9129 175.2091 144 C 5.5398 8.5080 118.5359 55.7462 49.3176 172.9417 145 G 4.6209 8.2863 107.2296 45.5513 0.0000 172.4650 146 V 3.9624 8.4290 124.3667 63.5763 32.3853 174.0044 147 I 3.9153 8.7030 127.3121 62.1207 36.1704 178.0158 148 E 4.3191 8.5541 133.0704 56.1755 36.1058 176.8105 149 K 4.1031 8.8191 126.8606 56.0788 31.7182 173.9812 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 N 8.27 4.90 0.00 2.64 2.81 0.00 0.00 6.49 6.17 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 3 T 8.37 4.77 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 1.19 0.00 0.00 4 L 9.57 4.68 0.00 1.70 1.44 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.68 4.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 6 V 8.51 4.27 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 1.05 0.00 0.00 1.00 0.00 0.00 7 K 8.62 4.70 0.00 1.77 1.73 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.49 7.81 8 M 8.95 5.16 0.00 1.95 1.96 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 2.56 2.84 0.00 9 N 9.05 5.43 0.00 2.54 2.78 0.00 0.00 6.75 8.73 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 9A D 8.97 4.35 0.00 2.40 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 0.00 0.00 0.00 0.00 9B A 8.52 4.79 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 0.00 0.00 0.00 0.00 0.00 9C L 8.84 4.84 0.00 1.61 1.51 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 9D S 8.70 4.16 0.00 4.04 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 9E S 8.35 4.44 0.00 3.86 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 10 G 6.42 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 11 T 8.09 4.60 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 G 8.84 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 13 E 8.65 4.34 0.00 2.05 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 2.37 2.30 0.00 14 N 8.90 5.18 0.00 2.85 2.70 0.00 0.00 7.17 7.94 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 15 I 8.66 4.42 2.20 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 1.34 0.79 1.02 0.00 0.00 16 G 9.22 4.15 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 0.00 0.00 0.00 17 E 8.79 5.18 0.00 2.12 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 2.22 2.38 0.00 18 I 8.66 4.98 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 1.21 0.00 0.00 19 T 8.82 4.90 4.26 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 1.36 0.00 0.00 20 V 8.97 4.58 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 0.25 0.00 0.00 0.71 0.00 0.00 21 S 8.57 5.20 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.60 4.86 0.00 1.90 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 0.00 2.29 2.25 0.00 23 T 8.53 4.95 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 1.25 0.00 0.00 24 P 0.00 4.14 0.00 0.65 1.65 0.00 3.52 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 25 Y 8.00 4.64 0.00 3.12 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 26 G 7.50 4.02 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 0.00 0.00 0.00 27 L 8.78 4.69 0.00 1.71 1.30 0.86 0.84 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 28 L 8.99 5.07 0.00 1.72 1.49 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 F 10.05 4.87 0.00 3.21 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 30 T 8.78 4.73 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 31 P 0.00 4.66 0.00 2.11 1.92 0.00 3.68 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 32 H 9.09 5.01 0.00 3.28 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.68 5.51 0.00 1.57 1.60 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.79 5.15 0.00 2.69 2.76 0.00 0.00 6.97 6.30 0.00 0.00 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 G 8.82 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 0.00 0.00 0.00 36 L 7.56 4.65 0.00 1.60 1.27 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.81 4.27 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 1.03 0.00 0.00 38 P 0.00 4.45 0.00 2.03 2.01 0.00 3.62 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 2.01 2.17 0.00 39 G 8.17 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.36 4.95 1.81 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 1.29 1.02 0.89 0.00 0.00 41 H 9.07 5.33 0.00 3.05 3.30 0.00 5.82 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 42 G 9.18 4.01 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 0.00 0.00 0.00 43 F 8.55 5.95 0.00 2.95 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 44 H 8.32 4.72 0.00 2.93 2.98 0.00 5.85 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 45 V 8.50 4.42 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 1.06 0.00 0.00 0.79 0.00 0.00 46 H 8.59 5.17 0.00 3.05 3.50 0.00 5.79 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 47 T 8.96 4.05 4.26 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 1.24 0.00 0.00 48 N 7.99 4.79 0.00 2.82 2.76 0.00 0.00 7.20 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.81 0.00 2.04 2.05 0.00 3.69 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 2.02 2.31 0.00 50 S 7.49 4.67 0.00 3.80 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 51 C 8.53 5.06 0.00 2.96 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 52 M 7.91 4.65 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.67 0.00 53 P 0.00 4.92 0.00 2.04 2.04 0.00 3.64 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 2.09 2.20 0.00 53A G 8.87 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 0.00 0.00 0.00 0.00 53B M 8.69 5.00 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.68 0.00 53C K 8.86 4.29 0.00 1.69 1.57 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.27 1.25 7.81 53D D 9.71 4.24 0.00 2.76 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 53E G 7.87 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 53F K 6.87 4.62 0.00 1.48 1.68 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.20 0.80 7.81 53G E 8.84 4.57 0.00 1.84 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 2.31 2.25 0.00 53H V 9.23 4.32 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 0.98 0.00 0.00 1.00 0.00 0.00 54 P 0.00 4.49 0.00 2.21 1.99 0.00 3.81 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 55 A 8.84 5.04 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 56 L 7.38 4.01 0.00 1.69 1.78 0.94 0.98 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 57 M 7.95 4.33 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.93 0.00 58 A 7.56 4.35 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.68 4.04 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 0.00 0.00 0.00 60 G 8.06 4.15 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 0.00 0.00 0.00 61 H 8.38 4.69 0.00 2.53 2.98 0.00 5.75 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 62 L 8.64 3.75 0.00 1.62 1.49 0.74 0.84 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 63 D 8.33 5.32 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.38 0.00 2.26 2.29 0.00 3.76 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 2.07 1.98 0.00 65 E 8.26 3.91 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 66 K 7.48 3.83 0.00 1.90 1.83 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.63 7.81 67 T 8.91 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 68 G 9.15 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 68A K 7.24 4.45 0.00 1.85 1.64 0.00 1.80 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.49 7.81 69 H 8.90 4.99 0.00 3.26 3.46 0.00 5.73 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.99 4.85 0.00 1.57 1.60 0.93 1.12 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 71 G 7.86 3.32 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 0.00 72 P 0.00 4.43 0.00 1.64 1.71 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 0.49 1.01 0.00 73 Y 7.17 4.81 0.00 2.90 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 74 N 7.79 4.83 0.00 2.63 2.66 0.00 0.00 7.10 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 75 D 8.58 4.48 0.00 2.86 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 76 K 8.24 4.45 0.00 1.89 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.41 7.81 77 G 7.52 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.56 4.18 0.00 3.51 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.59 3.98 0.00 1.57 1.67 0.92 1.07 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 80 G 8.12 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 81 D 7.86 4.87 0.00 2.65 2.35 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 82 L 7.67 4.40 0.00 1.21 1.25 0.62 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.43 0.00 2.08 2.11 0.00 3.69 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.95 0.00 84 G 8.80 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 85 L 9.09 4.17 0.00 1.41 1.47 0.55 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.43 4.27 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 0.63 0.00 0.00 0.76 0.00 0.00 87 V 8.70 4.44 2.35 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 1.02 0.00 0.00 0.83 0.00 0.00 88 N 9.36 4.88 0.00 2.96 2.74 0.00 0.00 6.46 8.05 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 89 A 8.44 4.07 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 90 D 8.12 4.68 0.00 2.79 2.75 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 0.00 0.00 0.00 0.00 91 G 8.16 4.26 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 0.00 0.00 0.00 92 T 7.91 4.76 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 1.22 0.00 0.00 93 A 8.62 5.04 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 94 T 8.38 5.20 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 1.24 0.00 0.00 95 Y 8.18 4.07 0.00 2.90 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 96 P 0.00 4.63 0.00 1.77 1.89 0.00 3.11 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.03 0.00 97 L 9.07 4.87 0.00 1.78 1.71 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.86 5.05 0.00 1.71 1.67 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 A 9.18 4.84 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 0.00 100 P 0.00 5.21 0.00 2.28 2.33 0.00 4.01 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 101 R 7.94 4.16 0.00 1.84 2.04 0.00 3.24 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 102 L 7.89 4.46 0.00 1.80 1.67 1.00 1.14 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 93 K 8.67 5.04 0.00 1.54 1.51 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.33 7.81 94 S 8.54 5.32 0.00 3.97 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 95 L 8.22 3.86 0.00 1.49 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 96 S 8.59 4.68 0.00 3.37 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 97 E 9.33 4.88 0.00 2.22 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 2.20 2.21 0.00 98 L 8.86 5.05 0.00 1.71 1.67 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 K 9.23 4.84 0.00 1.62 1.85 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.34 7.81 100 G 8.56 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 8.13 4.55 0.00 3.27 3.44 0.00 8.62 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.04 4.59 0.00 4.07 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 0.00 115 L 8.83 4.87 0.00 1.76 1.82 1.25 0.76 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 0.00 116 M 9.22 5.14 0.00 2.02 1.64 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 117 I 8.76 4.92 2.00 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 1.28 0.78 0.94 0.00 0.00 118 H 9.16 5.19 0.00 3.09 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 9.09 4.11 0.00 1.69 1.87 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.28 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.57 7.81 120 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 0.00 121 G 8.20 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 0.00 0.00 0.00 0.00 122 D 8.20 4.62 0.00 2.69 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 0.00 123 N 8.52 4.33 0.00 2.85 2.93 0.00 0.00 6.67 7.45 0.00 0.00 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 9.01 4.00 0.00 3.19 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 0.00 125 S 7.75 4.93 0.00 3.87 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 *130 D 8.43 4.75 0.00 2.78 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 0.00 131 K 7.53 4.72 0.00 1.65 1.67 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.33 7.81 132 P 0.00 4.31 0.00 2.17 2.17 0.00 3.74 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 1.97 1.95 0.00 133 A 7.61 4.61 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 0.00 134 P 0.00 4.70 0.00 2.20 2.18 0.00 4.00 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 135 L 10.34 3.39 0.00 1.72 1.56 0.80 0.72 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 0.00 136 G 8.98 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.21 3.67 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 0.00 0.00 0.00 138 G 8.01 3.73 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 0.00 0.00 0.00 139 G 7.36 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.46 4.26 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 0.00 141 R 8.45 4.48 0.00 1.77 1.80 0.00 3.46 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 142 F 9.41 4.58 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.87 5.10 1.28 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 0.00 144 C 8.51 5.54 0.00 2.96 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 0.00 145 G 8.29 4.62 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 0.00 0.00 0.00 146 V 8.43 3.96 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 0.83 0.00 0.00 0.97 0.00 0.00 147 I 8.70 3.92 2.08 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 1.50 1.20 1.01 0.00 0.00 148 E 8.55 4.32 0.00 1.79 1.66 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 2.22 2.32 0.00 149 K 8.82 4.10 0.00 1.77 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.