NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1071 8.0932 115.3670 58.3371 65.3733 172.1572 2 L 5.0689 8.2626 120.5640 51.4995 45.4819 174.0244 3 T 4.6846 8.7795 113.2999 59.8505 72.7347 172.9013 4 F 5.2711 7.9250 124.1825 57.2441 41.7307 172.9897 5 Y 5.2179 8.7066 123.5654 55.3966 42.1192 174.0244 6 P 4.5834 0.0000 0.0000 62.4196 32.3309 176.8008 7 A 4.4868 8.8389 122.1640 54.4073 19.6686 177.4365 8 W 5.6217 8.1953 124.3699 55.8606 33.8408 174.3830 9 L 4.4776 8.5316 128.3843 53.3873 45.3604 174.6518 10 T 4.7905 7.8654 118.9309 60.3422 70.2133 173.0087 11 V 4.5519 8.4584 120.0695 59.8355 36.8777 174.3604 12 S 4.9734 8.3455 117.6335 56.3693 64.6266 173.6461 13 E 3.9967 8.8414 124.5324 58.3994 29.4592 176.1524 14 G 4.0557 9.4543 113.3446 44.7150 0.0000 173.5282 15 A 4.4046 7.9862 121.1449 51.1904 20.2209 176.4753 16 N 5.1654 8.5031 116.2146 51.8727 39.5444 174.2757 17 A 4.6269 8.6571 121.9085 50.3954 22.0660 175.2681 18 T 4.7766 8.1191 118.2482 61.7721 71.2381 173.6172 19 F 4.6289 8.7983 125.1372 55.9449 42.3185 174.8132 20 T 5.0156 9.2785 118.2988 62.0256 71.5192 172.2256 21 C 5.4475 9.4589 127.4287 55.1623 42.2385 172.3114 22 S 5.3996 8.9430 122.5474 56.0627 65.0390 173.5218 23 L 5.1950 8.7888 124.8212 53.6021 43.2208 176.8177 24 S 4.7702 8.4589 115.5286 58.9328 63.9109 173.8810 25 N 5.1169 7.9186 116.6611 51.5600 39.8666 173.4302 26 W 5.2969 8.4834 128.7796 56.2413 34.2872 174.0676 27 S 3.9481 7.0742 118.3623 56.2453 66.5747 174.8100 28 E 3.6074 8.0992 122.4632 59.5006 29.1908 178.0168 29 D 4.6563 7.6017 114.6714 53.0057 39.7973 175.9595 30 L 4.1830 7.3997 122.3659 55.7696 42.9785 175.7030 31 M 4.8045 9.2547 125.5128 53.9433 34.4016 174.3201 32 L 5.0939 9.2847 126.4832 53.2624 44.4451 175.3248 33 N 5.5188 9.2809 119.7057 51.1680 43.0069 173.1017 34 W 5.0809 9.2655 132.3942 55.8583 33.4000 174.0835 35 N 5.5648 9.6061 124.3100 51.4878 42.3789 173.4261 36 R 4.7415 8.5615 119.8296 54.4034 33.8490 174.0753 37 L 4.6113 8.5224 127.1142 54.4624 42.3351 177.5487 38 S 4.4165 9.0600 119.4304 56.6421 64.2413 173.4424 39 P 4.1638 0.0000 0.0000 65.3121 31.0358 177.6151 40 S 4.5157 7.9992 110.8790 57.5507 63.1749 173.5017 41 N 4.1730 8.0742 116.2842 55.4009 36.4157 174.0303 42 Q 4.7351 7.8485 115.3613 54.2041 32.6918 176.1015 43 T 4.5498 8.4436 119.6228 63.3961 69.3511 173.8229 44 E 4.6413 8.8199 126.2975 53.9240 32.8263 175.4662 45 K 4.3065 8.6751 126.1425 56.8941 32.6130 176.2722 46 Q 4.0667 9.3460 126.2331 57.2590 30.6866 175.2079 47 A 4.9253 7.3691 117.1459 51.3435 22.5545 175.0070 48 A 5.2922 9.0152 120.5623 50.2682 23.4837 175.0687 49 F 5.3749 9.4403 121.3289 56.6567 42.9334 173.7560 50 S 4.7179 8.4573 118.1521 57.8565 66.5968 174.2389 51 N 4.1749 9.7857 117.2532 54.5485 35.9400 175.6417 52 G 4.0252 8.2226 103.6216 45.4808 0.0000 173.5124 53 L 4.4859 7.0360 122.6449 52.7795 43.7765 174.8554 54 S 5.0553 8.7371 121.2434 58.1402 63.4277 173.0623 55 Q 4.6200 9.7638 127.1949 53.4110 31.0124 173.2205 56 P 4.6407 0.0000 0.0000 62.6340 31.7711 177.2370 57 V 3.8888 8.3868 124.9411 65.7589 31.1742 177.1105 58 Q 4.4457 8.0216 112.1819 55.4005 31.8010 173.5148 59 D 4.7612 7.9492 118.0026 52.1144 42.0520 175.7697 60 A 4.3509 8.6193 129.4082 53.8495 18.7342 178.1897 61 R 4.0104 8.8522 116.1942 58.4640 31.3455 176.3458 62 F 4.8151 8.3035 117.7780 56.6658 38.5345 174.8255 63 Q 4.9003 9.6981 123.6482 54.3198 31.1826 174.7367 64 I 5.0148 9.0581 124.5245 59.7529 39.3088 175.0906 65 I 4.5596 9.0334 128.3901 59.2957 40.1127 174.6267 66 Q 3.4690 8.4723 128.7623 55.2727 29.5684 175.6309 67 L 4.0425 8.1467 126.9279 53.4357 42.8485 176.2355 68 P 4.0173 0.0000 0.0000 65.9394 31.4122 177.7260 69 N 4.2564 7.7621 112.8599 53.1416 37.3577 177.2606 70 R 3.2427 7.4793 119.1871 56.8933 29.9374 176.4585 71 H 4.7058 7.4561 111.2795 55.6021 29.8456 174.5429 72 D 5.5785 7.7732 119.9507 52.7097 43.8253 175.2379 73 F 4.7947 9.1895 119.8918 56.0434 43.8235 173.3602 74 H 5.1771 9.5439 120.2030 55.0629 30.5987 174.3573 75 M 4.3136 9.1615 124.6452 53.7241 32.4956 173.7901 76 N 5.1545 9.4041 123.7508 52.1594 40.9689 173.6707 77 I 4.5999 9.1299 128.7899 59.9969 38.3513 175.3943 78 L 4.2811 8.6775 128.3649 54.3411 42.5116 176.8305 79 D 4.5011 8.6950 118.8998 54.0676 39.5991 173.2529 80 T 4.1479 7.8490 111.4707 61.8283 70.0240 174.2304 81 R 5.0217 9.2232 118.6349 54.0639 33.0088 176.3334 82 R 3.9039 9.0044 118.9240 59.8342 30.0917 178.5206 83 N 4.8546 8.1042 110.0650 53.6491 37.0598 175.2584 84 D 4.7267 8.3150 119.5675 55.9611 41.4372 177.2086 85 S 4.4239 8.2511 116.4776 58.1866 63.5013 174.5724 86 G 3.8985 7.8586 111.9237 46.1650 0.0000 170.0327 87 I 5.0166 7.4043 119.6526 59.9636 39.6424 174.7777 88 Y 5.4185 9.0623 123.7797 56.5391 42.6650 173.9446 89 L 4.2379 8.6470 119.4932 55.1972 44.3138 171.2361 90 C 5.1668 7.8263 114.0503 53.5823 42.3194 172.8849 91 G 4.5907 8.9829 105.5546 44.6714 0.0000 171.3899 92 A 5.2460 8.9567 121.9989 49.9430 22.8315 175.0685 93 I 4.8351 9.0977 123.5311 59.5455 40.3089 174.9769 94 S 4.7308 9.1407 124.5269 56.9472 63.9338 175.4659 95 L 4.9905 8.3287 131.1059 55.6948 42.6417 176.9093 *96 H 4.8472 7.1514 121.0645 56.0673 28.7769 176.7872 97 P 3.9527 0.0000 0.0000 65.3852 31.8848 173.2703 98 K 4.5586 7.4339 119.2780 53.7764 35.4710 176.0014 99 A 4.8951 8.7790 129.5478 52.7725 18.9569 177.5493 100 K 4.6035 8.6258 124.9001 53.5685 35.8700 172.0266 101 I 5.1906 8.4508 125.7736 58.7198 40.2515 174.7934 102 E 4.7999 8.7314 121.5471 55.2703 33.0974 173.7362 103 E 5.1843 8.6535 119.9202 54.6785 33.3480 175.5415 104 S 4.8299 8.2541 117.0313 55.5585 65.2281 172.0434 105 P 4.4434 0.0000 0.0000 62.2192 31.6268 176.6117 106 G 4.1537 8.3481 107.3382 46.1955 0.0000 172.5570 107 A 5.1849 9.5243 120.9322 50.1699 23.2272 174.6072 108 E 5.2611 9.8991 121.3971 54.3941 32.6019 174.4651 109 L 5.1876 9.0915 127.9265 53.2386 45.5124 175.0167 110 V 4.5100 8.5937 125.8629 61.1174 34.3256 174.0897 111 V 4.8102 8.9533 129.4553 61.7179 32.8256 175.4889 112 T 4.5262 8.6869 119.8565 60.0093 71.6064 173.8050 113 E 4.2708 8.7507 120.4249 56.6224 30.0932 178.0019 114 R 4.2022 8.4363 120.5411 56.0540 30.8432 177.0560 115 I 3.8409 8.1300 122.4297 61.5038 37.8179 176.2914 116 L 4.2435 8.4018 123.2177 55.0097 41.6393 176.5822 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 1 S 8.09 5.11 0.00 3.93 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 2 L 8.26 5.07 0.00 1.61 1.51 0.92 0.34 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 3 T 8.78 4.68 3.61 0.00 0.00 0.00 0.00 0.00 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 4 F 7.93 5.27 0.00 2.75 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 5 Y 8.71 5.22 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.58 0.00 2.14 2.02 0.00 3.24 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 1.82 2.00 0.00 7 A 8.84 4.49 1.53 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 0.00 0.00 8 W 8.20 5.62 0.00 3.32 3.12 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 9 L 8.53 4.48 0.00 1.38 1.02 0.65 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.87 4.79 3.42 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 1.21 0.00 0.00 11 V 8.46 4.55 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 0.51 0.00 0.00 0.83 0.00 0.00 12 S 8.35 4.97 0.00 3.75 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 13 E 8.84 4.00 0.00 1.97 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 2.33 2.51 0.00 14 G 9.45 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 15 A 7.99 4.40 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 16 N 8.50 5.17 0.00 2.79 2.77 0.00 0.00 5.78 7.26 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 17 A 8.66 4.63 1.09 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 18 T 8.12 4.78 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 0.81 0.00 0.00 19 F 8.80 4.63 0.00 2.54 1.79 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 20 T 9.28 5.02 4.30 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 0.00 0.00 0.00 1.29 0.00 0.00 21 C 9.46 5.45 0.00 3.14 3.01 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 22 S 8.94 5.40 0.00 3.85 3.85 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 23 L 8.79 5.20 0.00 1.80 1.75 1.34 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.46 4.77 0.00 3.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 5.12 0.00 2.85 2.82 0.00 0.00 5.77 8.88 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 26 W 8.48 5.30 0.00 3.33 3.20 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 27 S 7.07 3.95 0.00 3.56 3.35 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 28 E 8.10 3.61 0.00 1.78 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 0.00 2.28 2.32 0.00 29 D 7.60 4.66 0.00 2.70 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 30 L 7.40 4.18 0.00 1.60 1.64 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 M 9.25 4.80 0.00 2.03 1.96 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 2.49 2.63 0.00 32 L 9.28 5.09 0.00 1.66 1.38 0.63 0.21 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 33 N 9.28 5.52 0.00 2.56 2.66 0.00 0.00 6.28 7.62 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 34 W 9.27 5.08 0.00 3.36 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 35 N 9.61 5.56 0.00 2.63 2.61 0.00 0.00 5.93 7.20 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 36 R 8.56 4.74 0.00 1.41 1.38 0.00 2.81 0.00 0.00 2.93 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 37 L 8.52 4.61 0.00 1.43 1.52 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.06 4.42 0.00 3.90 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 39 P 0.00 4.16 0.00 2.04 2.14 0.00 3.62 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 2.00 2.05 0.00 40 S 8.00 4.52 0.00 3.95 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 41 N 8.07 4.17 0.00 2.85 2.91 0.00 0.00 6.67 8.45 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 42 Q 7.85 4.74 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 43 T 8.44 4.55 4.20 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 1.17 0.00 0.00 44 E 8.82 4.64 0.00 1.74 1.70 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 2.13 2.29 0.00 45 K 8.68 4.31 0.00 1.72 1.66 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.47 7.81 46 Q 9.35 4.07 0.00 1.34 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 1.90 1.74 0.00 47 A 7.37 4.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 9.02 5.29 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.44 5.37 0.00 3.16 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 50 S 8.46 4.72 0.00 3.90 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 51 N 9.79 4.17 0.00 2.77 2.88 0.00 0.00 7.00 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.22 4.03 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 0.00 0.00 0.00 53 L 7.04 4.49 0.00 1.59 1.47 0.93 0.95 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 54 S 8.74 5.06 0.00 4.48 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 55 Q 9.76 4.62 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 56 P 0.00 4.64 0.00 1.99 2.18 0.00 3.72 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 2.09 2.19 0.00 57 V 8.39 3.89 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 0.70 0.00 0.00 0.86 0.00 0.00 58 Q 8.02 4.45 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.64 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 59 D 7.95 4.76 0.00 2.75 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 60 A 8.62 4.35 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 61 R 8.85 4.01 0.00 1.69 1.86 0.00 3.38 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 62 F 8.30 4.82 0.00 2.79 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 9.70 4.90 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 64 I 9.06 5.01 2.22 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.02 0.77 0.00 0.00 65 I 9.03 4.56 1.90 0.00 0.00 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 1.20 1.17 0.90 0.00 0.00 66 Q 8.47 3.47 0.00 1.57 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 7.06 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 67 L 8.15 4.04 0.00 1.32 1.30 0.64 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.02 0.00 1.90 2.03 0.00 3.50 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 1.93 1.99 0.00 69 N 7.76 4.26 0.00 2.74 2.89 0.00 0.00 6.29 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 70 R 7.48 3.24 0.00 1.14 0.66 0.00 2.83 0.00 0.00 2.86 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.37 0.00 71 H 7.46 4.71 0.00 3.29 3.56 0.00 5.21 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 72 D 7.77 5.58 0.00 2.46 2.45 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 0.00 0.00 0.00 0.00 73 F 9.19 4.79 0.00 2.78 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 74 H 9.54 5.18 0.00 2.96 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 M 9.16 4.31 0.00 0.51 0.95 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 76 N 9.40 5.15 0.00 2.77 2.79 0.00 0.00 6.98 8.01 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 77 I 9.13 4.60 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.87 0.44 0.00 0.00 78 L 8.68 4.28 0.00 1.44 1.56 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.70 4.50 0.00 2.80 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 80 T 7.85 4.15 4.20 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 1.20 0.00 0.00 81 R 9.22 5.02 0.00 2.00 2.01 0.00 2.83 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 82 R 9.00 3.90 0.00 1.89 2.08 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 83 N 8.10 4.85 0.00 2.84 2.94 0.00 0.00 6.02 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.31 4.73 0.00 2.87 2.90 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 85 S 8.25 4.42 0.00 3.95 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 86 G 7.86 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 87 I 7.40 5.02 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.03 0.95 0.00 0.00 88 Y 9.06 5.42 0.00 2.99 3.28 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 89 L 8.65 4.24 0.00 1.51 1.67 0.89 0.85 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 90 C 7.83 5.17 0.00 2.80 2.43 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 91 G 8.98 4.59 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 0.00 0.00 0.00 92 A 8.96 5.25 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 9.10 4.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.89 0.00 0.00 94 S 9.14 4.73 0.00 3.73 3.76 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 95 L 8.33 4.99 0.00 1.72 1.62 0.90 1.02 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 *96 H 7.15 4.85 0.00 2.88 2.53 0.00 7.23 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 97 P 0.00 3.95 0.00 2.10 1.86 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.64 0.00 98 K 7.43 4.56 0.00 1.63 1.63 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.41 7.81 99 A 8.78 4.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.63 4.60 0.00 1.39 1.62 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.33 1.02 7.81 101 I 8.45 5.19 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.06 0.93 0.00 0.00 102 E 8.73 4.80 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 2.18 2.27 0.00 103 E 8.65 5.18 0.00 1.78 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 2.14 2.22 0.00 104 S 8.25 4.83 0.00 3.89 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 0.00 105 P 0.00 4.44 0.00 2.10 2.06 0.00 3.63 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 2.03 2.09 0.00 106 G 8.35 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 0.00 107 A 9.52 5.18 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 0.00 108 E 9.90 5.26 0.00 2.21 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 2.31 2.38 0.00 109 L 9.09 5.19 0.00 2.23 1.84 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.59 4.51 1.83 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 0.96 0.00 0.00 1.00 0.00 0.00 111 V 8.95 4.81 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 0.87 0.00 0.00 0.97 0.00 0.00 112 T 8.69 4.53 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 1.25 0.00 0.00 113 E 8.75 4.27 0.00 1.86 1.95 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 2.33 2.44 0.00 114 R 8.44 4.20 0.00 1.80 1.86 0.00 3.21 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 115 I 8.13 3.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.91 0.00 0.00 116 L 8.40 4.24 0.00 1.63 1.57 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.