NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3029 8.1849 120.6441 53.9492 42.8485 175.3380 4 P 4.3163 0.0000 0.0000 62.9712 31.7465 173.6189 5 D 4.7147 8.5860 119.1150 55.0864 42.6147 177.2175 6 G 3.9067 9.4067 110.3744 44.9267 0.0000 172.7465 7 F 5.8622 7.8069 115.4703 54.9708 43.1140 173.4602 8 Y 5.0576 8.2210 117.3553 56.0053 41.7743 173.0547 9 I 5.1030 8.4470 119.4184 59.4241 41.0672 174.1533 10 R 4.8229 8.6630 123.3807 54.8635 33.3449 174.3073 11 R 4.5718 8.5269 118.5113 56.2085 30.7715 176.6942 12 M 4.4949 8.9151 122.9851 55.9677 33.1278 175.1870 13 E 4.8948 9.6329 123.5989 54.0171 33.6842 176.6924 14 E 4.0946 9.0268 119.3770 59.9954 29.4735 179.8053 15 G 3.9148 8.0889 104.7371 47.2683 0.0000 174.1252 16 D 4.6260 8.5887 119.8498 54.4800 40.8672 177.4811 17 L 2.8787 7.3101 121.3940 58.1592 41.8879 178.5957 18 E 3.7983 7.8835 118.1200 59.4894 29.7506 178.6624 19 Q 4.0540 7.9243 117.5122 58.6623 28.8090 178.5488 20 V 3.6619 8.3189 119.9806 65.9784 31.3880 178.2154 21 T 3.8028 8.0287 115.8573 66.6216 68.0991 176.0878 22 E 3.9341 7.8890 119.7534 59.5445 29.9440 178.8111 23 T 4.0449 7.9888 115.6288 66.7512 68.5793 176.8599 24 L 4.1497 8.3353 120.6943 57.1262 41.3418 179.4642 25 K 4.2341 7.5426 119.2240 58.5979 31.9649 179.0657 26 V 3.7841 7.5120 111.3269 63.1856 31.4765 177.7379 27 L 4.2767 7.8066 120.0295 57.5674 42.4494 175.5544 28 T 4.3137 7.2505 109.9568 61.7215 70.0043 171.1636 29 T 4.2871 8.5033 118.9758 63.8552 68.8838 174.2148 30 V 3.9061 8.6811 126.1088 64.1734 32.7255 176.6376 31 G 3.7898 7.9377 105.5720 44.8980 0.0000 171.4999 32 T 4.4849 8.1741 114.9883 62.0219 69.9131 174.3150 33 I 4.5819 7.9802 126.1297 59.0651 40.5985 175.9547 34 T 4.2485 8.2414 115.3111 60.6334 71.0603 173.9600 35 P 4.2580 0.0000 0.0000 65.9258 31.5395 178.5206 36 E 3.9390 8.1946 117.7426 59.4052 29.6164 178.9448 37 S 4.1546 8.1836 114.2931 61.1903 63.0542 176.2647 38 F 4.1191 8.4551 124.4768 61.2899 39.1501 176.8095 39 C 4.0166 8.4660 116.6985 62.8795 27.8943 176.3814 40 K 3.9393 7.8789 119.5449 59.1233 31.5710 179.2557 41 L 3.5711 7.6007 120.6148 58.0687 41.9622 179.1087 42 I 3.5056 7.3833 120.0996 64.0180 36.4489 178.3578 43 K 3.9237 8.0000 120.5332 59.5819 32.0538 178.2522 44 Y 4.1921 8.0652 119.8235 60.6706 38.5420 178.1372 45 W 4.0103 8.3035 118.7433 59.0786 29.1475 177.4285 46 N 4.6873 8.0709 114.5173 54.0504 38.3794 175.3661 47 E 4.4486 7.4611 117.9795 56.8254 31.9291 176.5852 48 A 4.2732 7.9339 122.0479 52.3586 19.1198 177.0012 49 T 4.9883 8.5103 111.9502 59.8304 72.3601 173.1943 50 V 4.3388 8.1187 122.5603 60.5791 33.0436 175.5965 51 W 4.2262 8.9731 135.0000 57.6985 31.0628 174.4409 52 N 4.0730 7.4930 122.9328 51.8132 40.4643 174.1538 53 D 3.9421 6.8204 125.5350 56.5352 41.9235 176.3056 *57 K 3.9297 7.8290 118.7782 55.9673 32.4385 174.3003 58 K 4.2963 8.5483 127.8689 55.2299 33.2822 175.3589 59 I 4.0637 7.9537 126.3447 59.4461 39.9325 174.4531 60 M 4.4407 7.9634 128.1928 54.9575 32.0248 176.5560 61 Q 3.8653 8.8820 126.1049 58.5026 30.3813 175.4082 62 Y 4.5624 7.7587 114.9965 55.7893 39.8284 176.4518 63 N 5.1206 8.4577 119.7187 51.0879 39.4818 171.3337 64 P 4.7433 0.0000 0.0000 62.8622 33.3910 176.7645 65 M 5.3070 9.3233 124.2578 53.4409 35.9598 175.1420 66 V 4.8580 8.8653 114.1045 59.7366 36.2053 174.5380 67 I 4.7276 8.5102 125.1561 59.6621 39.4154 174.7514 68 V 4.5593 8.2911 126.9610 60.8305 34.6046 173.9466 69 D 4.1664 8.8167 128.2133 53.3554 41.2131 176.9573 70 K 4.1802 9.2717 128.0537 59.0183 31.9813 179.1010 71 R 4.0347 8.1600 119.5555 58.8610 30.0145 177.5286 72 T 4.5096 7.4042 102.9341 60.0956 70.2691 173.3165 73 E 3.8595 8.1316 119.4031 58.2960 27.0003 174.4305 74 T 4.8364 7.5096 114.3040 61.6394 71.5502 176.1231 75 V 3.9508 9.3547 127.0047 63.1626 31.5824 175.4673 76 A 4.0481 9.1658 129.6381 52.9500 20.7474 176.1464 77 A 4.8774 7.4522 114.7549 51.6187 22.8177 175.1848 78 T 4.9953 9.0472 113.6464 61.1266 71.5548 172.8058 79 G 4.5054 8.5187 111.1587 45.4709 0.0000 171.6129 80 N 5.4996 8.8829 118.8176 51.5399 42.8331 172.7934 81 I 4.8789 8.0099 124.8129 59.2630 40.4610 174.3648 82 I 4.4091 8.6459 130.4053 59.5931 39.5931 174.4916 83 I 4.6516 8.3292 127.9844 59.6687 38.6466 174.6643 84 E 4.6331 8.9929 128.3300 54.2600 32.2128 174.4505 85 R 4.8173 8.6511 127.1558 55.5751 31.5916 175.2031 86 K 4.7196 9.2420 125.1627 55.0747 35.8698 176.7774 87 I 4.0165 8.2822 119.9448 63.2833 38.1761 176.9700 88 I 3.9304 7.5135 112.6276 61.7688 38.1430 174.5788 89 H 3.8144 8.6058 114.8578 58.2009 26.1679 175.2637 90 E 3.6520 8.8719 113.7526 57.9427 27.2957 175.4830 91 L 4.4752 7.7152 113.2066 55.1721 40.1613 175.3354 92 G 4.0782 8.2783 106.1159 46.2475 0.0000 172.9590 93 L 5.4048 8.6928 119.3983 52.9199 44.4246 175.2614 94 C 4.7217 9.0364 123.9583 57.3738 34.4543 172.7901 95 G 4.1869 8.4108 113.0692 45.1691 0.0000 172.3152 96 H 5.2711 9.0217 119.8218 53.7704 32.0809 172.6817 97 I 4.6197 8.5542 125.6217 60.5326 38.0069 175.5314 98 E 4.5973 9.1502 125.8125 54.4516 33.5058 174.9620 99 D 4.4574 8.2985 119.1341 55.5364 38.3381 173.3764 100 I 4.7577 7.3790 117.7840 60.6226 38.9759 177.2254 101 A 4.6116 8.9594 127.2834 50.7366 23.0744 174.9004 102 V 4.6117 8.1489 121.6947 60.5398 33.7301 174.8389 103 N 4.4110 9.1819 127.2452 54.1179 39.1191 175.6457 104 S 4.2629 9.0887 119.7949 61.6008 63.0331 176.6651 105 K 3.9656 8.1233 118.4393 58.2811 31.8225 177.1452 106 Y 4.8026 7.7352 114.2231 56.8042 38.4413 176.0391 107 Q 4.0466 7.6117 119.1172 56.9302 29.2600 176.1218 108 G 3.8970 8.6802 106.9079 46.7362 0.0000 174.1102 109 Q 4.4581 8.0546 115.5458 55.1204 29.8715 177.2548 110 G 4.0904 8.2771 106.8333 45.7193 0.0000 175.9017 111 L 3.9640 7.6984 120.2189 57.3437 41.4907 179.2695 112 G 3.5671 7.9496 105.3709 47.7498 0.0000 175.4623 113 K 3.9669 8.2566 122.0713 59.0918 32.2679 178.6095 114 L 4.0068 7.9069 119.2320 57.5980 41.4849 179.2832 115 L 3.9353 8.1836 120.3765 58.2899 42.0261 179.0583 116 I 3.7711 8.1048 119.9961 64.5670 37.0838 178.0189 117 D 4.4218 8.6134 120.0699 57.6846 40.6737 179.1117 118 Q 4.0194 8.2765 118.3622 58.9261 28.7322 178.7459 119 L 3.9845 8.1468 120.1749 57.6571 41.5948 179.7343 120 V 3.3707 8.1335 118.5615 66.2211 31.3965 178.2279 121 T 3.9188 7.9812 115.4469 66.6663 68.3531 176.6471 122 I 3.5294 7.8148 121.8209 64.1501 37.1268 178.7710 123 G 3.4791 7.9714 106.3998 47.9822 0.0000 175.9160 124 F 4.6546 8.0351 120.7605 60.2242 38.6147 177.6127 125 D 4.4327 8.2105 118.2306 57.3283 40.6661 177.7628 126 Y 4.6205 7.5687 115.3548 58.9262 37.9842 176.5126 127 G 4.1646 7.9459 108.4892 45.2708 0.0000 173.6631 128 C 4.4226 7.8782 117.4493 59.9212 28.4645 173.7455 129 Y 4.4466 8.5537 122.1016 58.7251 38.5166 175.0917 130 K 4.7443 6.7122 118.1747 56.0521 36.1275 174.4908 131 I 5.0156 8.0548 120.6972 59.4897 40.5576 174.8138 132 I 4.9394 8.5625 119.7248 59.3492 41.3319 173.8225 133 L 4.6559 8.0684 120.5791 55.2826 42.7478 173.8222 134 D 4.9748 8.4638 119.4411 52.7132 43.4295 175.5133 135 C 4.7971 7.9841 115.5853 56.4951 32.8861 173.5193 136 D 4.5910 8.4439 120.1461 53.8359 41.5321 177.0830 137 E 3.9351 8.9744 122.1726 59.6509 29.1747 179.4149 138 K 4.0173 8.1596 117.2648 59.4060 32.7354 177.5805 139 N 4.8494 8.2603 115.6629 52.7934 38.9521 176.5671 140 V 3.7405 7.7875 121.5832 66.4490 31.5956 178.1269 141 K 4.2272 8.1283 117.2902 59.1201 31.7627 179.0735 142 F 4.0710 8.1231 120.6715 61.6385 39.4272 176.7350 143 Y 3.5941 7.7904 116.2348 60.7769 37.4986 178.3566 144 E 4.6129 8.5699 121.4670 58.9539 29.3725 179.4990 145 K 4.0451 7.8135 117.1184 58.7734 32.0955 178.0889 146 C 4.4625 7.2589 115.2450 59.4246 28.2968 174.3573 147 G 3.9278 8.2454 109.5239 45.1734 0.0000 173.9581 148 F 4.4525 8.5559 119.0162 56.3184 40.2791 174.8384 149 S 5.0097 8.1528 115.7102 55.9244 65.9572 173.4060 150 N 4.3467 8.8347 119.9223 54.1852 38.9431 174.3793 151 A 4.6594 9.3607 125.6021 50.6245 20.7402 175.5188 152 G 3.9138 6.4468 101.0563 45.6448 0.0000 171.5307 153 V 4.3156 7.8905 118.3874 60.7268 33.4706 174.8595 154 E 4.3050 8.6917 127.7669 55.6259 30.2763 175.2434 155 M 4.8493 8.4561 125.4552 53.6116 34.8868 174.9935 156 Q 4.6295 8.2002 117.8508 54.6078 31.9001 173.9782 157 I 4.5814 8.1072 118.3558 59.3235 40.9859 174.6438 158 R 4.6550 8.2859 125.6449 53.8584 32.3647 176.0868 159 K 4.0952 8.5661 120.4946 56.9157 32.1269 176.5775 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 3 L 8.18 4.30 0.00 2.01 1.80 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.32 0.00 2.40 2.08 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 5 D 8.59 4.71 0.00 2.72 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 6 G 9.41 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 7 F 7.81 5.86 0.00 2.94 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 8 Y 8.22 5.06 0.00 3.08 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.45 5.10 1.88 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 1.42 1.13 0.96 0.00 0.00 10 R 8.66 4.82 0.00 2.03 2.24 0.00 3.11 0.00 0.00 3.52 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 11 R 8.53 4.57 0.00 1.78 1.97 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 12 M 8.92 4.49 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.77 0.00 13 E 9.63 4.89 0.00 2.08 1.86 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 2.27 2.49 0.00 14 E 9.03 4.09 0.00 2.11 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 2.39 2.36 0.00 15 G 8.09 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 16 D 8.59 4.63 0.00 3.06 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 17 L 7.31 2.88 0.00 0.99 1.40 0.14 0.70 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 18 E 7.88 3.80 0.00 2.05 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 2.35 2.42 0.00 19 Q 7.92 4.05 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 20 V 8.32 3.66 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 1.21 0.00 0.00 1.05 0.00 0.00 21 T 8.03 3.80 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 1.17 0.00 0.00 22 E 7.89 3.93 0.00 2.03 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 2.34 2.42 0.00 23 T 7.99 4.04 4.38 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 1.24 0.00 0.00 24 L 8.34 4.15 0.00 1.76 1.75 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.54 4.23 0.00 1.88 1.89 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.53 7.81 26 V 7.51 3.78 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 0.70 0.00 0.00 1.06 0.00 0.00 27 L 7.81 4.28 0.00 1.60 1.89 0.94 0.91 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 28 T 7.25 4.31 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 29 T 8.50 4.29 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 1.22 0.00 0.00 30 V 8.68 3.91 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 0.79 0.00 0.00 0.98 0.00 0.00 31 G 7.94 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 32 T 8.17 4.48 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 1.19 0.00 0.00 33 I 7.98 4.58 1.78 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 1.47 0.58 0.94 0.00 0.00 34 T 8.24 4.25 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 35 P 0.00 4.26 0.00 2.19 2.17 0.00 3.60 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 2.11 2.13 0.00 36 E 8.19 3.94 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 37 S 8.18 4.15 0.00 4.08 4.09 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 38 F 8.46 4.12 0.00 3.11 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 39 C 8.47 4.02 0.00 3.21 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 40 K 7.88 3.94 0.00 1.91 1.76 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.62 7.81 41 L 7.60 3.57 0.00 1.34 1.18 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.38 3.51 1.60 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 0.45 0.36 0.86 0.00 0.00 43 K 8.00 3.92 0.00 1.88 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.45 7.81 44 Y 8.07 4.19 0.00 2.98 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 W 8.30 4.01 0.00 3.32 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.07 4.69 0.00 2.92 2.89 0.00 0.00 6.84 7.12 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 47 E 7.46 4.45 0.00 1.99 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 2.45 0.00 48 A 7.93 4.27 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 49 T 8.51 4.99 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 1.29 0.00 0.00 50 V 8.12 4.34 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 0.73 0.00 0.00 0.82 0.00 0.00 51 W 8.97 4.23 0.00 3.28 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.49 4.07 0.00 2.37 2.37 0.00 0.00 7.04 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 53 D 6.82 3.94 0.00 2.26 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 *57 K 7.83 3.93 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.16 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.47 7.81 58 K 8.55 4.30 0.00 1.75 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 59 I 7.95 4.06 1.60 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.41 0.09 0.00 0.00 60 M 7.96 4.44 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 61 Q 8.88 3.87 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 1.41 2.03 0.00 62 Y 7.76 4.56 0.00 2.47 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 0.00 0.00 0.00 63 N 8.46 5.12 0.00 2.72 2.68 0.00 0.00 6.56 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.74 0.00 2.26 1.93 0.00 3.57 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 65 M 9.32 5.31 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.82 0.00 66 V 8.87 4.86 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 67 I 8.51 4.73 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 0.84 0.00 0.00 68 V 8.29 4.56 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 0.00 0.00 0.98 0.00 0.00 0.61 0.00 0.00 69 D 8.82 4.17 0.00 2.62 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 70 K 9.27 4.18 0.00 1.62 1.88 0.00 1.93 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.73 1.68 7.81 71 R 8.16 4.03 0.00 1.85 1.97 0.00 3.08 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 72 T 7.40 4.51 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 1.22 0.00 0.00 73 E 8.13 3.86 0.00 2.14 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 2.28 2.31 0.00 74 T 7.51 4.84 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 75 V 9.35 3.95 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 0.70 0.00 0.00 0.91 0.00 0.00 76 A 9.17 4.05 0.43 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 0.00 0.00 77 A 7.45 4.88 1.15 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 78 T 9.05 5.00 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 1.25 0.00 0.00 79 G 8.52 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.88 5.50 0.00 2.66 2.60 0.00 0.00 6.92 8.24 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 81 I 8.01 4.88 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.13 0.88 0.00 0.00 82 I 8.65 4.41 1.69 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 0.71 0.41 0.41 0.00 0.00 83 I 8.33 4.65 1.62 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 1.11 0.50 0.77 0.00 0.00 84 E 8.99 4.63 0.00 2.02 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 2.23 2.22 0.00 85 R 8.65 4.82 0.00 1.95 1.93 0.00 3.61 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 86 K 9.24 4.72 0.00 1.94 1.78 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.50 7.81 87 I 8.28 4.02 1.88 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 1.48 0.71 0.91 0.00 0.00 88 I 7.51 3.93 1.66 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 1.46 0.62 0.88 0.00 0.00 89 H 8.61 3.81 0.00 2.77 2.81 0.00 5.85 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.87 3.65 0.00 2.05 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 2.22 2.29 0.00 91 L 7.72 4.48 0.00 1.89 1.94 1.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.28 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 0.00 0.00 0.00 0.00 93 L 8.69 5.40 0.00 1.66 1.57 0.92 0.68 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 94 C 9.04 4.72 0.00 2.85 2.81 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 95 G 8.41 4.19 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 0.00 96 H 9.02 5.27 0.00 2.93 3.13 0.00 5.61 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.55 4.62 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.46 0.87 0.00 0.00 98 E 9.15 4.60 0.00 1.78 1.81 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 2.19 2.40 0.00 99 D 8.30 4.46 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 0.00 100 I 7.38 4.76 2.00 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 1.33 0.94 0.98 0.00 0.00 101 A 8.96 4.61 1.25 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 0.00 0.00 102 V 8.15 4.61 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 0.80 0.00 0.00 0.81 0.00 0.00 103 N 9.18 4.41 0.00 2.84 3.03 0.00 0.00 6.55 7.66 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 0.00 104 S 9.09 4.26 0.00 4.03 4.13 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 0.00 105 K 8.12 3.97 0.00 1.43 1.64 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.52 7.81 106 Y 7.74 4.80 0.00 3.05 2.96 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 0.00 0.00 0.00 107 Q 7.61 4.05 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.44 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 108 G 8.68 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 0.00 109 Q 8.05 4.46 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.53 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 110 G 8.28 4.09 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 0.00 0.00 0.00 111 L 7.70 3.96 0.00 1.56 1.51 0.57 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.95 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 0.00 113 K 8.26 3.97 0.00 1.90 1.99 0.00 1.69 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.62 1.47 7.81 114 L 7.91 4.01 0.00 1.86 1.68 0.84 0.50 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 0.00 115 L 8.18 3.94 0.00 1.73 1.87 0.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.10 3.77 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.94 1.07 0.00 0.00 117 D 8.61 4.42 0.00 2.86 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 0.00 118 Q 8.28 4.02 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 119 L 8.15 3.98 0.00 1.84 1.69 0.90 0.64 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 0.00 120 V 8.13 3.37 2.30 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 1.03 0.00 0.00 1.03 0.00 0.00 121 T 7.98 3.92 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 122 I 7.81 3.53 1.94 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 1.30 1.09 0.72 0.00 0.00 123 G 7.97 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.04 4.65 0.00 3.04 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 0.00 125 D 8.21 4.43 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 7.57 4.62 0.00 3.17 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 0.00 127 G 7.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.88 4.42 0.00 3.07 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 0.00 129 Y 8.55 4.45 0.00 3.02 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 0.00 130 K 6.71 4.74 0.00 1.73 1.81 0.00 1.40 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.40 1.12 7.81 131 I 8.05 5.02 1.55 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.06 0.84 0.00 0.00 132 I 8.56 4.94 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.99 0.86 0.00 0.00 133 L 8.07 4.66 0.00 1.38 1.47 -0.16 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 134 D 8.46 4.97 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 C 7.98 4.80 0.00 3.14 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.44 4.59 0.00 2.77 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 0.00 137 E 8.97 3.94 0.00 2.09 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 2.48 0.00 138 K 8.16 4.02 0.00 1.96 1.96 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.55 7.81 139 N 8.26 4.85 0.00 2.95 3.10 0.00 0.00 6.48 8.39 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 0.00 140 V 7.79 3.74 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 1.17 0.00 0.00 1.07 0.00 0.00 141 K 8.13 4.23 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.53 7.81 142 F 8.12 4.07 0.00 2.97 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 0.00 143 Y 7.79 3.59 0.00 3.12 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.61 0.00 2.16 2.03 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 2.54 2.43 0.00 145 K 7.81 4.05 0.00 1.77 1.80 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.62 7.81 146 C 7.26 4.46 0.00 3.08 3.05 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 0.00 147 G 8.25 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 0.00 148 F 8.56 4.45 0.00 3.35 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 0.00 149 S 8.15 5.01 0.00 3.94 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 0.00 150 N 8.83 4.35 0.00 2.74 2.80 0.00 0.00 6.73 7.96 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 0.00 151 A 9.36 4.66 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 0.00 152 G 6.45 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 0.00 153 V 7.89 4.32 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 0.84 0.00 0.00 0.94 0.00 0.00 154 E 8.69 4.31 0.00 2.10 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 2.27 2.41 0.00 155 M 8.46 4.85 0.00 2.02 1.94 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 2.50 2.43 0.00 156 Q 8.20 4.63 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 157 I 8.11 4.58 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.95 0.92 0.00 0.00 158 R 8.29 4.65 0.00 1.82 1.82 0.00 3.44 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 159 K 8.57 4.10 0.00 1.72 1.70 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.