NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 4.5827 8.3016 107.8459 45.7168 0.0000 173.3413 4 L 4.0560 8.4896 125.3112 54.2821 43.2356 170.2976 5 V 4.8315 8.7933 127.0098 60.9773 34.8586 173.7924 6 A 4.8800 8.9999 129.3645 50.1463 22.0585 175.0237 7 S 5.2485 8.5372 115.9645 57.5942 66.5822 175.1090 8 N 4.5027 8.9650 116.1672 53.3639 37.8792 174.5615 9 L 3.9280 7.5545 118.2371 56.2424 41.1758 176.2895 10 N 5.2472 8.5704 123.4459 51.5662 37.4928 173.5163 11 L 4.5085 9.1265 127.0990 54.6676 43.1760 176.1613 12 K 5.0104 9.4843 123.8828 53.7052 34.9668 174.3102 13 P 3.1262 0.0000 0.0000 64.3543 31.6061 175.8665 14 G 3.9862 8.5354 110.9415 45.3782 0.0000 173.9773 15 E 4.2995 8.1342 118.7090 56.3162 31.2879 175.5295 16 C 5.1323 8.9886 122.5841 57.5758 34.3271 172.1695 17 L 4.7633 8.7100 128.9130 53.3291 43.1213 175.1029 18 K 4.6467 8.5602 128.3365 54.6350 34.4621 174.8277 19 V 4.6585 8.7536 127.3962 61.0005 34.4508 174.0276 20 R 5.1289 8.3302 127.0865 54.8531 33.5501 174.1782 21 G 3.7224 9.0459 111.9427 45.5760 0.0000 171.1762 22 E 5.1769 8.2308 117.9769 54.1337 32.2080 175.6995 23 L 4.7811 9.0688 124.3385 54.1581 43.1234 176.6768 24 A 4.2789 8.4420 124.6662 51.4593 19.0903 177.0020 25 P 4.5635 0.0000 0.0000 64.7812 31.6027 176.8223 26 D 4.7804 7.6066 117.0269 51.8368 39.7548 175.6757 27 A 3.9347 7.9388 122.0934 54.2316 18.6249 178.1467 28 K 4.3738 9.7129 123.1741 57.6652 33.3721 177.2500 29 S 5.3449 7.5621 111.4230 58.0235 64.2934 175.2884 30 F 5.5312 7.6212 116.0996 55.5194 41.8253 173.2808 31 V 4.5705 9.8761 119.1184 61.1643 35.5740 174.0729 32 L 5.1061 8.5905 126.3225 53.7537 45.3854 174.4843 33 N 5.6383 9.5045 124.4570 51.4989 41.6926 173.7905 34 L 5.2240 9.3954 122.6827 52.0704 45.5703 176.6503 35 G 4.2585 7.9874 109.7485 46.9438 0.0000 174.6382 36 K 4.1403 8.7954 120.2773 58.0337 33.3236 175.7908 37 D 3.8696 7.3077 116.0250 51.7173 41.7502 175.8342 38 S 3.8676 7.7069 113.4895 60.8548 62.6530 174.8793 39 N 4.6100 8.2474 116.5333 53.1778 39.0657 173.8440 40 N 5.3028 8.0637 116.3824 51.0423 40.1351 171.3351 41 L 5.1611 8.4820 121.6978 53.1045 43.4943 176.9371 42 C 4.3968 9.0400 119.3447 60.0090 30.8747 173.7748 43 L 4.5413 7.7778 121.7835 53.8901 45.5920 173.7970 44 H 5.1744 9.1150 126.1502 54.5482 32.1205 171.9359 45 F 4.3063 9.2235 130.1988 56.9308 39.6817 172.8953 46 N 4.9856 8.4721 126.0678 49.5733 38.8159 169.8604 47 P 4.4725 0.0000 0.0000 61.8411 33.5620 175.7699 48 R 4.6242 8.9252 123.6523 54.4539 31.6004 176.7487 49 F 3.9176 9.2758 124.2784 60.3596 40.2969 174.5310 50 N 4.9697 8.4001 113.0235 53.6343 41.3258 173.5777 51 A 4.2543 9.1350 126.3634 52.7555 22.6152 176.2035 52 H 3.8690 9.8681 116.4169 56.6935 26.3072 176.0319 53 G 3.9606 8.5940 106.0484 45.2068 0.0000 173.2485 54 D 4.8943 8.0529 119.1999 52.0110 43.5348 174.9971 55 A 4.8620 8.0663 124.8382 51.6591 22.0956 175.6787 56 N 2.0000 7.9612 118.3407 53.4942 36.9765 174.5835 57 T 4.5947 7.1097 110.7872 60.4147 71.7950 172.8860 58 I 4.3532 8.2966 128.7210 60.0727 39.1198 174.6525 59 V 4.4078 8.0626 127.2532 61.2908 33.6429 174.3041 60 C 5.5862 8.3550 125.0812 57.7060 31.7193 172.1575 61 N 5.1317 7.5153 117.9806 53.6223 42.2584 172.6864 62 S 5.4099 8.6674 114.3636 56.3854 67.3190 172.6768 63 K 4.9273 9.1287 121.9199 54.6259 35.3800 174.1526 64 D 4.9000 8.8565 126.9992 52.5063 43.5583 175.3383 65 D 4.3170 10.2174 127.8656 55.1139 40.2564 174.3674 66 G 3.7982 8.4024 107.2262 44.7611 0.0000 174.0505 67 T 4.3459 7.4406 110.6308 59.3115 70.3498 174.4579 68 W 4.7212 8.5245 125.2597 57.2400 29.9630 176.4118 69 G 4.4373 8.7198 110.0963 45.7097 0.0000 172.8704 70 T 4.4384 8.5385 117.5740 63.3407 69.3765 174.7303 71 E 4.5231 8.7856 125.5956 56.1915 30.8069 175.8130 72 Q 4.6191 8.9533 124.6272 54.4530 31.8224 174.0753 73 R 5.0013 8.6705 125.1507 54.4850 32.8587 175.2312 74 E 4.4436 8.5948 122.4846 54.7037 31.6734 177.4104 75 T 3.7671 8.6137 118.5982 64.5490 67.8962 174.9471 76 A 4.1355 7.7318 123.5930 52.7889 18.9313 177.8581 77 F 4.7327 8.2224 123.6643 56.8873 40.7224 172.4580 78 P 4.4927 0.0000 0.0000 61.8837 31.1224 176.8976 79 F 5.1920 7.1292 114.9956 56.6110 42.9117 175.2681 80 Q 4.9159 8.7633 120.9777 53.5574 32.5363 173.5986 81 P 4.1502 0.0000 0.0000 63.2369 31.9884 175.7046 82 G 4.2503 8.7156 107.0880 46.9835 0.0000 172.8518 83 S 4.8120 7.6814 111.2183 56.6036 67.5579 172.2854 84 I 5.0821 8.3278 120.2640 59.9828 39.1991 175.3658 85 T 4.9835 8.9577 115.7353 60.8044 72.8186 171.9106 86 E 5.1856 8.6432 117.4033 55.7687 32.6111 174.8688 87 V 4.4594 8.5054 120.8865 61.4676 35.5840 173.3041 *89 I 4.3050 8.1687 118.4223 61.8922 38.6232 175.1923 90 T 5.4353 8.3381 122.1772 62.0927 72.9660 172.4801 91 F 5.4608 8.1507 115.7731 56.8710 40.4532 172.6674 92 D 4.3968 8.8334 117.1921 52.2487 42.2988 176.5038 93 Q 4.3580 9.1503 118.0436 58.6107 28.3003 178.6184 94 A 3.7841 7.5154 118.7984 54.9302 18.3974 177.8975 95 D 5.1976 7.8219 111.2809 52.1505 44.0834 174.2533 96 L 4.8126 9.2230 118.6838 54.0602 44.3449 176.6469 97 T 4.6348 8.8497 118.2920 61.9199 71.4395 173.1776 98 I 4.0599 7.8207 128.5652 60.1305 38.6218 175.1390 99 K 4.3461 8.2517 128.3754 54.3725 33.7007 175.7242 100 L 4.3164 8.4131 128.0590 53.5375 42.2779 176.9012 101 P 4.2767 0.0000 0.0000 65.5876 31.2193 176.7730 102 D 4.5011 7.7374 116.8112 53.3926 39.4293 176.4218 103 G 4.3483 7.8281 115.0638 46.6283 0.0000 174.5307 104 H 4.5782 7.5659 117.2382 54.3850 29.4835 174.1736 105 E 5.0757 8.5356 118.1330 54.4763 32.7122 174.3310 106 F 5.1983 8.0097 114.2620 55.2950 41.9843 173.3773 107 K 5.2144 8.9533 117.5496 54.6874 35.3822 175.7121 108 F 5.0017 8.9675 124.4999 55.5443 42.5502 172.2311 109 P 4.4204 0.0000 0.0000 62.4934 31.6278 176.9742 110 N 4.7718 8.3744 122.9715 52.1831 37.5486 175.1881 111 R 3.9243 8.0285 122.0486 59.6619 30.6685 178.7714 112 L 4.0932 7.9893 113.9201 55.3435 41.7279 176.3143 113 N 4.2526 8.1688 117.0605 54.4206 37.9272 173.6494 114 M 4.4926 8.1725 111.8559 54.3128 32.9413 175.1047 115 E 4.7795 8.2667 119.7834 55.4711 30.2391 175.0679 116 A 5.2853 7.4824 114.3318 51.6410 21.2569 176.8831 117 I 4.0268 7.8827 124.5990 61.9248 38.3298 176.5542 118 N 5.8666 9.5037 121.2939 51.4819 41.6324 173.3265 119 Y 5.3032 8.0073 119.5481 56.0721 42.6486 173.6923 120 M 5.5179 8.2999 122.9227 54.1390 36.5774 173.4079 121 A 4.9732 8.2426 125.1413 50.6939 23.0797 174.7311 122 A 5.2823 8.9021 124.2681 50.7381 21.8379 175.2292 123 D 4.7139 9.3706 119.2559 54.2311 45.5341 175.4760 124 G 4.0002 8.8261 107.2072 44.9787 0.0000 173.3056 125 D 4.8377 8.6170 116.1324 53.1073 39.2103 176.8448 126 F 5.0523 7.7759 119.3513 56.5505 42.9989 174.1577 127 K 4.2491 8.1649 128.2595 54.3293 33.6926 175.3489 128 I 3.8697 7.9981 128.9813 61.4144 37.4170 176.2494 129 K 4.3005 8.7319 124.2878 56.3896 33.8102 176.2641 *131 V 3.9563 7.6987 119.6056 62.6386 32.3144 174.2280 132 A 4.7498 8.7551 128.9814 50.2298 22.7883 174.6987 133 F 5.2868 8.9197 118.2843 55.0141 40.2426 175.1889 134 E 4.4013 8.8894 120.9266 56.1089 29.6607 176.1606 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 G 8.30 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.49 4.06 0.00 1.86 1.56 0.92 0.48 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 5 V 8.79 4.83 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.02 0.00 0.00 6 A 9.00 4.88 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 7 S 8.54 5.25 0.00 3.97 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 8 N 8.96 4.50 0.00 2.97 3.06 0.00 0.00 7.01 7.34 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 9 L 7.55 3.93 0.00 1.78 1.83 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.57 5.25 0.00 2.78 2.92 0.00 0.00 6.31 7.79 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 11 L 9.13 4.51 0.00 1.70 1.95 1.13 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.48 5.01 0.00 1.78 1.72 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.62 7.81 13 P 0.00 3.13 0.00 1.79 1.58 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.58 0.00 14 G 8.54 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 0.00 0.00 0.00 15 E 8.13 4.30 0.00 2.14 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 2.36 2.45 0.00 16 C 8.99 5.13 0.00 2.97 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 17 L 8.71 4.76 0.00 1.63 1.50 0.52 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.56 4.65 0.00 1.80 1.54 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.31 7.81 19 V 8.75 4.66 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 1.15 0.00 0.00 0.86 0.00 0.00 20 R 8.33 5.13 0.00 1.89 1.68 0.00 3.26 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 21 G 9.05 3.72 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 0.00 0.00 0.00 22 E 8.23 5.18 0.00 1.93 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 2.12 2.10 0.00 23 L 9.07 4.78 0.00 1.56 1.55 0.75 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.44 4.28 1.22 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 0.00 0.00 25 P 0.00 4.56 0.00 2.02 2.11 0.00 3.58 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 2.00 2.05 0.00 26 D 7.61 4.78 0.00 2.69 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 27 A 7.94 3.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.71 4.37 0.00 2.00 1.90 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 29 S 7.56 5.34 0.00 4.11 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 30 F 7.62 5.53 0.00 3.30 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 31 V 9.88 4.57 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 1.04 0.00 0.00 0.92 0.00 0.00 32 L 8.59 5.11 0.00 1.90 1.52 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.50 5.64 0.00 2.74 2.87 0.00 0.00 6.33 6.56 0.00 0.00 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 L 9.40 5.22 0.00 1.54 1.46 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.99 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 36 K 8.80 4.14 0.00 1.70 1.83 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.49 7.81 37 D 7.31 3.87 0.00 2.51 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.71 3.87 0.00 3.93 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 39 N 8.25 4.61 0.00 2.64 2.81 0.00 0.00 6.60 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.06 5.30 0.00 2.63 2.64 0.00 0.00 6.84 6.27 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 41 L 8.48 5.16 0.00 1.68 1.78 1.00 1.14 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 42 C 9.04 4.40 0.00 3.04 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 43 L 7.78 4.54 0.00 1.75 1.48 0.58 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 44 H 9.12 5.17 0.00 3.55 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 9.22 4.31 0.00 3.05 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 46 N 8.47 4.99 0.00 2.38 2.47 0.00 0.00 6.81 7.27 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 47 P 0.00 4.47 0.00 1.48 1.47 0.00 2.76 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 0.44 0.00 48 R 8.93 4.62 0.00 1.60 1.85 0.00 3.03 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 49 F 9.28 3.92 0.00 3.36 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 50 N 8.40 4.97 0.00 2.71 2.73 0.00 0.00 7.06 7.80 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 51 A 9.14 4.25 1.16 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 52 H 9.87 3.87 0.00 3.27 3.32 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.59 3.96 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 0.00 0.00 0.00 54 D 8.05 4.89 0.00 2.72 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 55 A 8.07 4.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.96 2.00 0.00 2.40 2.11 0.00 0.00 6.66 7.11 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 57 T 7.11 4.59 4.10 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 0.00 0.00 1.09 0.00 0.00 58 I 8.30 4.35 1.70 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.68 0.53 0.00 0.00 59 V 8.06 4.41 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 0.87 0.00 0.00 0.79 0.00 0.00 60 C 8.35 5.59 0.00 3.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.52 5.13 0.00 2.72 2.77 0.00 0.00 6.43 7.63 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 62 S 8.67 5.41 0.00 4.18 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 63 K 9.13 4.93 0.00 1.14 1.39 0.00 1.10 0.00 0.00 1.12 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.74 7.81 64 D 8.86 4.90 0.00 2.72 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 10.22 4.32 0.00 2.72 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 66 G 8.40 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 67 T 7.44 4.35 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 1.20 0.00 0.00 68 W 8.52 4.72 0.00 3.20 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.72 4.44 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 0.00 70 T 8.54 4.44 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 1.23 0.00 0.00 71 E 8.79 4.52 0.00 1.83 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 2.22 2.23 0.00 72 Q 8.95 4.62 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 73 R 8.67 5.00 0.00 1.64 1.72 0.00 3.14 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 74 E 8.59 4.44 0.00 1.40 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 1.62 1.47 0.00 75 T 8.61 3.77 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 1.16 0.00 0.00 76 A 7.73 4.14 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 77 F 8.22 4.73 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.49 0.00 1.86 2.02 0.00 3.24 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.79 0.00 79 F 7.13 5.19 0.00 2.13 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 80 Q 8.76 4.92 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 81 P 0.00 4.15 0.00 2.00 1.84 0.00 3.92 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 82 G 8.72 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 0.00 0.00 0.00 0.00 83 S 7.68 4.81 0.00 3.89 3.98 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 84 I 8.33 5.08 1.88 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 1.36 0.63 0.99 0.00 0.00 85 T 8.96 4.98 4.48 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 1.44 0.00 0.00 86 E 8.64 5.19 0.00 2.15 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 2.21 2.32 0.00 87 V 8.51 4.46 1.90 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 0.66 0.00 0.00 0.97 0.00 0.00 *89 I 8.17 4.31 1.79 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.22 0.86 0.00 0.00 90 T 8.34 5.44 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 1.25 0.00 0.00 91 F 8.15 5.46 0.00 3.21 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.83 4.40 0.00 2.73 2.61 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 0.00 93 Q 9.15 4.36 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.91 0.00 94 A 7.52 3.78 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 95 D 7.82 5.20 0.00 3.05 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 96 L 9.22 4.81 0.00 1.78 1.70 1.20 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.85 4.63 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 98 I 7.82 4.06 0.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.27 0.48 0.00 0.00 99 K 8.25 4.35 0.00 1.64 1.62 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.26 1.46 7.81 100 L 8.41 4.32 0.00 2.01 1.44 1.13 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.28 0.00 2.15 2.36 0.00 3.61 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.98 0.00 102 D 7.74 4.50 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.83 4.35 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 0.00 104 H 7.57 4.58 0.00 3.60 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.54 5.08 0.00 2.07 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 106 F 8.01 5.20 0.00 3.23 3.23 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 0.00 107 K 8.95 5.21 0.00 1.73 1.82 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.45 7.81 108 F 8.97 5.00 0.00 3.29 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 0.00 109 P 0.00 4.42 0.00 1.94 1.92 0.00 2.94 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.66 0.00 110 N 8.37 4.77 0.00 2.97 3.12 0.00 0.00 6.93 7.98 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 0.00 111 R 8.03 3.92 0.00 1.89 2.03 0.00 3.33 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 112 L 7.99 4.09 0.00 1.66 1.75 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.17 4.25 0.00 2.80 2.87 0.00 0.00 7.12 7.21 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 0.00 114 M 8.17 4.49 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 115 E 8.27 4.78 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 116 A 7.48 5.29 1.29 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 0.00 117 I 7.88 4.03 1.77 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.30 0.92 0.00 0.00 118 N 9.50 5.87 0.00 2.66 2.83 0.00 0.00 6.27 7.88 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 0.00 119 Y 8.01 5.30 0.00 3.15 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 0.00 120 M 8.30 5.52 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.24 0.00 121 A 8.24 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.90 5.28 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 0.00 123 D 9.37 4.71 0.00 2.83 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.83 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 0.00 0.00 0.00 125 D 8.62 4.84 0.00 2.69 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 0.00 126 F 7.78 5.05 0.00 2.54 2.89 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 0.00 127 K 8.16 4.25 0.00 1.72 1.43 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.17 1.27 7.81 128 I 8.00 3.87 1.75 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 1.30 0.48 0.89 0.00 0.00 129 K 8.73 4.30 0.00 1.49 1.72 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.38 7.81 *131 V 7.70 3.96 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 0.43 0.00 0.00 0.88 0.00 0.00 132 A 8.76 4.75 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 0.00 133 F 8.92 5.29 0.00 2.87 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 0.00 134 E 8.89 4.40 0.00 2.06 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 2.17 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.