NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3181 8.1576 122.1355 54.2067 34.3737 177.3878 3 P 4.2800 0.0000 0.0000 64.3507 30.7214 176.4983 4 L 3.9461 8.6270 121.3648 57.2381 42.3884 179.9034 5 K 3.9280 7.9832 118.2332 59.6090 31.6055 178.9344 6 E 3.8956 8.0761 118.5372 59.0043 29.2666 179.6226 7 V 3.3712 7.3047 118.4745 65.9832 31.5548 178.3560 8 V 3.7062 7.6548 117.6841 65.7897 31.3931 178.0447 9 G 3.6667 8.4278 105.7049 47.8613 0.0000 175.5334 10 A 4.0952 8.1246 123.2213 55.0550 18.3541 179.2275 11 Y 4.0767 8.2147 115.3205 61.4662 37.9847 179.1234 12 L 4.0858 8.5169 119.8453 57.6127 41.6819 179.4336 13 A 4.0367 8.1240 120.8656 55.0963 18.2993 179.4999 14 L 3.9357 8.1855 118.8929 58.2600 42.1577 179.2420 15 S 4.1669 8.3846 115.3135 61.7754 62.8351 176.3802 16 D 4.3529 8.3299 121.2312 57.3749 40.5566 178.7008 17 A 4.1817 8.0450 121.1345 55.4500 18.2570 179.6998 18 Q 3.9768 8.3214 116.5430 59.2039 28.7480 179.3480 19 R 3.9584 8.0679 119.1399 59.3418 30.0513 179.1305 20 Q 3.9902 8.2473 117.8953 58.7019 28.7313 178.7739 21 L 4.0002 8.1264 120.1990 57.9216 41.5102 179.6856 22 V 3.6102 7.3402 116.6392 65.8111 31.5592 177.2207 23 A 4.2400 7.7180 117.9743 52.2501 18.5520 178.1761 24 G 3.1212 7.3404 105.0539 45.9818 0.0000 175.6649 25 E 4.2129 7.6069 121.8460 55.1142 26.2198 176.4939 26 Y 4.3439 7.2950 120.2184 60.8916 38.5810 177.5552 27 D 4.3984 8.1681 119.4849 57.6075 40.9983 178.6327 28 E 4.0024 8.1640 118.2596 59.1882 29.5704 179.0429 29 A 4.0948 8.1919 120.6777 55.0853 18.5384 179.5003 30 A 3.9534 8.3369 119.1945 55.2993 18.4383 179.6992 31 A 3.9595 7.8494 118.7703 55.5492 18.3978 179.7069 32 N 4.3410 8.4344 114.9835 56.3818 38.3088 177.5916 33 C 4.1157 7.9957 117.6497 62.9064 28.3261 175.9885 34 R 4.0714 7.6864 118.2299 59.2496 29.9364 178.8123 35 R 4.0979 8.3250 118.4693 59.1203 30.0182 178.6772 36 A 3.9650 8.1216 116.9361 53.2445 17.7990 178.7184 *38 E 4.3014 8.0994 121.7708 57.9389 31.8480 178.6132 39 I 3.7401 7.9314 119.6198 64.2783 37.3426 178.5737 40 S 3.6992 7.9227 113.8711 61.3958 62.6894 174.7841 41 H 4.5699 7.5896 115.6328 56.3012 28.8901 176.3444 42 T 4.1991 7.3140 112.9998 59.2637 67.2625 172.2457 *44 P 4.2155 0.0000 0.0000 62.2919 32.9239 176.8894 45 P 4.2321 0.0000 0.0000 66.4493 31.3445 177.8307 46 E 4.1912 8.1128 112.3652 56.4623 29.8998 179.5039 47 E 4.4494 7.6731 119.7482 55.0876 30.7226 175.4491 48 A 4.1151 8.5655 129.4963 52.5208 18.8257 176.3691 49 F 4.4801 8.2298 122.0565 56.4723 42.4074 174.4408 50 D 4.5097 7.0938 127.2077 53.1267 39.2337 176.3868 51 H 4.4621 8.3912 121.6256 58.2005 29.2539 176.5814 52 A 3.9932 8.0510 122.1684 55.1770 18.3114 179.8181 53 G 2.7393 7.7286 104.8410 46.9625 0.0000 175.5028 54 F 3.5938 7.9415 123.5035 60.9362 39.3289 176.9333 55 D 4.2340 8.4697 118.6916 57.2020 40.5805 178.6632 56 A 3.8901 7.4968 121.1028 55.0707 18.2699 179.7278 57 F 4.2149 8.1957 116.3314 60.9285 38.8639 177.7359 58 C 4.0081 7.8155 116.2959 63.1593 27.8531 175.9603 59 H 4.2382 8.5116 117.9505 58.5542 28.2119 177.8223 60 A 4.1761 8.3596 122.8743 55.1978 18.3314 179.8679 61 G 3.6077 8.1169 104.3021 47.9470 0.0000 175.6239 62 L 4.0106 8.3448 122.9576 57.7378 42.0568 178.9151 63 A 3.9917 8.2771 120.9193 55.0785 18.3458 179.2101 64 E 3.8545 8.3226 117.6530 59.2877 29.7501 178.9337 65 A 4.0117 8.0783 120.7488 55.3172 18.4460 179.6863 66 L 3.8747 8.2457 117.6025 57.6721 41.6315 179.6617 67 A 4.0025 8.1987 121.1256 55.0622 18.1081 179.8581 68 G 2.7811 7.4019 103.1040 47.4307 0.0000 175.1219 69 L 4.1785 7.2761 118.1941 54.2001 41.9317 177.1273 70 R 2.5100 7.1700 116.8239 57.2637 28.3489 177.9464 71 S 4.3540 7.3010 113.2263 57.1020 59.3891 173.4148 72 F 4.4181 7.4560 124.7039 59.9592 39.1314 176.4814 73 D 4.3327 8.1284 117.3430 57.6015 41.2051 178.0703 74 E 4.0463 8.2179 118.3394 59.1989 29.3857 179.0772 75 A 3.9829 8.0073 120.8497 55.0152 18.4972 179.3149 76 L 3.8658 8.1709 119.0246 58.7894 42.2775 179.0151 77 H 4.2141 8.0068 115.8124 58.8214 28.7327 177.8331 78 S 4.0860 8.2276 114.8509 61.2610 62.1846 176.0168 79 A 4.0858 8.3293 123.8011 55.3704 18.1509 179.3246 80 D 4.3554 8.2547 117.3591 57.5158 40.6050 179.2267 81 K 3.9700 8.0328 118.3980 59.2183 31.9636 179.3590 82 A 4.0848 7.9970 120.8323 55.2356 18.3253 179.7769 83 L 4.2286 8.4980 117.7920 57.9452 40.0813 179.0867 84 H 4.0833 8.4148 118.6388 59.2122 29.6692 176.7378 85 Y 3.8902 7.4892 121.3677 60.7081 38.7715 177.5519 86 F 3.6878 7.7608 118.5901 60.3408 38.5486 177.4730 87 N 4.4275 8.0822 115.6300 55.6426 38.3196 177.1178 88 R 4.0705 6.9231 118.9430 58.3319 30.4785 177.3719 89 R 4.3356 7.2736 114.5398 55.4909 30.6665 176.5124 90 G 3.3548 7.2609 107.4572 45.0311 0.0000 174.0212 91 E 4.7174 9.3161 121.6446 53.9680 31.2546 176.7368 92 L 4.0628 8.9242 127.3157 57.9530 42.3770 177.8384 93 N 4.8197 8.1886 113.5208 53.1277 38.5838 174.1939 94 Q 4.7115 7.6084 118.5149 53.5727 31.8509 176.0240 95 D 4.3190 8.8025 118.0466 57.7386 41.6048 177.8123 96 E 3.9232 8.6958 118.9779 59.7053 29.3572 178.9751 97 G 3.9845 8.3271 106.9019 47.1765 0.0000 175.7321 98 K 3.9590 8.1302 120.5298 59.3315 32.0283 179.3836 99 L 3.9866 7.6834 118.8056 56.9009 41.4542 179.2655 100 W 3.1486 7.3515 128.0018 60.2715 30.6316 177.7878 101 I 3.5496 7.6776 119.7033 64.3870 36.4589 178.2825 102 S 4.1255 8.0252 113.5945 61.4833 62.2462 176.1351 103 A 4.1102 8.2109 123.4108 55.1629 18.1308 179.8195 104 V 3.5904 7.9631 116.8773 66.2027 31.5542 177.6921 105 Y 4.1032 8.2810 119.4118 60.8910 38.6111 178.0787 106 S 3.9871 8.5557 116.5346 61.5531 62.8354 176.7142 107 R 3.7771 8.1215 121.1180 59.2146 29.8359 178.4334 108 A 3.4469 7.6585 120.4732 54.9795 18.1245 179.6067 109 L 3.8227 7.5619 117.3314 57.6668 41.6109 179.7450 110 A 3.9383 8.0587 120.8221 55.1731 18.3154 179.6292 111 L 3.8284 7.8602 117.6967 57.9028 41.6591 179.3679 112 D 4.3056 8.0347 118.0274 57.3143 41.0048 178.5891 113 G 2.3962 7.4060 105.1189 46.7658 0.0000 174.6447 114 L 4.4275 7.3112 118.6349 54.2894 41.8669 177.4774 115 G 3.8231 7.7073 107.1312 46.0913 0.0000 175.4239 116 R 4.4584 7.8486 120.0445 54.5773 28.8980 177.6649 117 G 3.5973 7.8108 107.9516 48.3444 0.0000 173.3313 118 A 4.1147 8.0590 121.9943 54.8072 18.4835 178.1461 119 E 4.2312 8.0737 114.2301 58.3129 30.4090 178.2602 120 A 4.2107 7.6398 121.9531 51.5841 17.9455 177.4375 *122 P 4.3938 0.0000 0.0000 64.3781 33.6225 178.6071 123 E 3.9338 7.6864 119.0316 59.2525 29.1278 179.1219 124 F 4.3697 8.2142 117.9494 60.4151 38.9329 177.6126 125 K 3.9909 8.1539 118.8821 59.4354 31.8669 178.6283 126 K 4.0807 7.8460 118.9256 59.2918 32.1153 178.6310 127 V 3.6866 7.6446 117.9583 65.9580 31.7736 177.8965 128 V 3.7744 7.5557 118.0057 65.9119 31.3613 178.6324 129 E 3.7378 8.0295 115.1955 57.1606 27.8186 178.8740 *131 I 4.0232 7.7199 122.0394 61.5498 39.2683 177.9799 132 E 3.9716 8.1278 118.5372 59.5572 29.4501 178.3334 133 E 3.9658 8.0389 116.9003 59.1052 29.6114 177.9679 134 R 4.0495 7.1492 119.4664 56.1477 30.2443 175.7626 135 K 4.1755 8.4412 125.7910 56.0408 32.7689 176.2496 136 G 4.1510 9.1003 113.1904 43.9695 0.0000 173.9933 137 E 4.0467 8.6738 117.2259 56.4858 30.2157 178.5561 138 T 4.5390 8.0467 119.5459 59.1889 69.1450 170.5106 139 P 4.1960 0.0000 0.0000 64.1841 31.9977 176.9534 140 G 3.9151 8.9569 109.6845 45.5123 0.0000 175.3171 141 K 3.7770 7.6541 120.1260 59.6174 32.8100 178.5179 142 E 3.9884 8.1250 118.2403 59.2388 30.2888 177.5845 143 R 4.0756 7.2193 119.4605 56.5979 28.3589 175.9682 *146 E 4.1955 7.9561 122.5680 56.1428 32.2068 177.6814 147 V 3.5317 7.8604 117.4824 65.8443 31.5371 177.6754 148 A 3.4183 8.0178 119.9754 55.2855 18.3217 179.3655 149 I 3.6229 7.5805 116.4574 64.1123 38.1447 177.6857 150 D 4.2926 8.0819 119.9131 57.3722 40.5679 178.9868 151 R 3.8009 7.8528 118.6763 59.1266 30.0116 179.0144 152 I 3.6472 7.6564 119.4615 64.2350 36.8134 178.4241 153 A 3.9360 7.5306 120.1323 55.4212 18.3962 179.5149 154 Q 4.0583 7.8234 115.1049 58.7993 28.7428 178.9380 155 L 4.2066 8.0807 119.9465 57.7181 41.9516 177.8533 156 G 3.8601 7.9230 108.5407 45.0323 0.0000 173.0568 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 K 8.16 4.32 0.00 1.70 1.88 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 3 P 0.00 4.28 0.00 2.64 2.32 0.00 3.80 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 2.05 1.91 0.00 4 L 8.63 3.95 0.00 1.79 1.66 0.92 0.38 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 5 K 7.98 3.93 0.00 2.07 1.82 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.11 7.81 6 E 8.08 3.90 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 2.26 2.34 0.00 7 V 7.30 3.37 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 0.91 0.00 0.00 8 V 7.65 3.71 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 1.05 0.00 0.00 0.87 0.00 0.00 9 G 8.43 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 10 A 8.12 4.10 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 11 Y 8.21 4.08 0.00 3.32 3.13 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 12 L 8.52 4.09 0.00 1.74 1.78 0.96 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 13 A 8.12 4.04 1.48 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 14 L 8.19 3.94 0.00 1.82 1.87 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.38 4.17 0.00 4.12 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 16 D 8.33 4.35 0.00 2.96 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 17 A 8.05 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 3.98 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 19 R 8.07 3.96 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 Q 8.25 3.99 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 21 L 8.13 4.00 0.00 1.92 1.83 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.34 3.61 2.23 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 0.81 0.00 0.00 1.00 0.00 0.00 23 A 7.72 4.24 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 24 G 7.34 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 0.00 0.00 0.00 25 E 7.61 4.21 0.00 1.93 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 2.21 2.24 0.00 26 Y 7.30 4.34 0.00 3.01 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 27 D 8.17 4.40 0.00 2.71 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 28 E 8.16 4.00 0.00 2.18 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 2.40 2.44 0.00 29 A 8.19 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.34 3.95 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 31 A 7.85 3.96 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 32 N 8.43 4.34 0.00 2.77 3.11 0.00 0.00 7.07 7.18 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 33 C 8.00 4.12 0.00 3.13 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 34 R 7.69 4.07 0.00 1.98 2.01 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 35 R 8.32 4.10 0.00 1.97 2.14 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 36 A 8.12 3.97 1.55 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 0.00 0.00 *38 E 8.10 4.30 0.00 2.35 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 2.30 1.91 0.00 39 I 7.93 3.74 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.88 0.00 0.00 40 S 7.92 3.70 0.00 3.54 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 H 7.59 4.57 0.00 3.07 3.36 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 7.31 4.20 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 1.24 0.00 0.00 *44 P 0.00 4.22 0.00 2.25 2.24 0.00 3.64 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 1.95 1.94 0.00 45 P 0.00 4.23 0.00 2.20 2.22 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 46 E 8.11 4.19 0.00 2.01 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 0.00 2.23 1.86 0.00 47 E 7.67 4.45 0.00 1.85 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 2.26 2.23 0.00 48 A 8.57 4.12 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 49 F 8.23 4.48 0.00 2.81 2.71 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 50 D 7.09 4.51 0.00 2.60 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 0.00 0.00 0.00 51 H 8.39 4.46 0.00 3.36 3.43 0.00 5.88 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.05 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.73 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 0.00 0.00 0.00 54 F 7.94 3.59 0.00 2.81 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 55 D 8.47 4.23 0.00 2.71 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 56 A 7.50 3.89 0.71 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 57 F 8.20 4.21 0.00 2.81 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 58 C 7.82 4.01 0.00 2.86 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 59 H 8.51 4.24 0.00 3.31 3.58 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.36 4.18 1.51 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 61 G 8.12 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 0.00 0.00 0.00 0.00 62 L 8.34 4.01 0.00 1.85 1.90 0.94 1.39 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 63 A 8.28 3.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.32 3.85 0.00 2.13 2.18 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 2.39 2.41 0.00 65 A 8.08 4.01 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.25 3.87 0.00 1.66 1.85 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.20 4.00 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 68 G 7.40 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.28 4.18 0.00 1.66 1.64 1.02 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.17 2.51 0.00 1.71 1.56 0.00 3.17 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.40 0.00 71 S 7.30 4.35 0.00 3.73 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 72 F 7.46 4.42 0.00 3.12 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.13 4.33 0.00 2.76 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 74 E 8.22 4.05 0.00 2.05 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 2.41 2.39 0.00 75 A 8.01 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.17 3.87 0.00 1.84 1.81 0.87 1.21 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 77 H 8.01 4.21 0.00 3.33 3.31 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.23 4.09 0.00 3.96 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 79 A 8.33 4.09 1.46 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 0.00 0.00 80 D 8.25 4.36 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 81 K 8.03 3.97 0.00 1.70 1.57 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.55 7.81 82 A 8.00 4.08 1.58 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 83 L 8.50 4.23 0.00 1.79 1.87 1.05 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.41 4.08 0.00 3.38 3.50 0.00 5.77 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 85 Y 7.49 3.89 0.00 2.98 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 86 F 7.76 3.69 0.00 2.50 1.45 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 87 N 8.08 4.43 0.00 2.69 2.92 0.00 0.00 6.96 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 6.92 4.07 0.00 1.66 1.80 0.00 3.18 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 89 R 7.27 4.34 0.00 0.80 1.58 0.00 3.30 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.48 0.00 90 G 7.26 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 0.00 0.00 0.00 91 E 9.32 4.72 0.00 2.20 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 2.26 0.00 92 L 8.92 4.06 0.00 1.60 1.65 0.56 0.40 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 93 N 8.19 4.82 0.00 2.78 2.83 0.00 0.00 6.75 7.69 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 94 Q 7.61 4.71 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.70 0.00 95 D 8.80 4.32 0.00 2.81 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 96 E 8.70 3.92 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.00 0.00 97 G 8.33 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 0.00 0.00 0.00 98 K 8.13 3.96 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 99 L 7.68 3.99 0.00 1.61 1.63 0.05 0.53 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 0.00 100 W 7.35 3.15 0.00 2.56 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 0.00 101 I 7.68 3.55 1.89 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 1.18 0.29 0.81 0.00 0.00 102 S 8.03 4.13 0.00 4.00 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 0.00 103 A 8.21 4.11 1.59 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 0.00 104 V 7.96 3.59 2.23 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 1.05 0.00 0.00 1.03 0.00 0.00 105 Y 8.28 4.10 0.00 3.12 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 0.00 106 S 8.56 3.99 0.00 4.05 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 0.00 107 R 8.12 3.78 0.00 1.96 2.04 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 108 A 7.66 3.45 0.17 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 0.00 0.00 0.00 109 L 7.56 3.82 0.00 1.69 1.67 0.60 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.06 3.94 1.45 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 0.00 0.00 111 L 7.86 3.83 0.00 1.66 1.80 0.82 0.99 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 0.00 112 D 8.03 4.31 0.00 3.00 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 0.00 113 G 7.41 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.31 4.43 0.00 1.71 1.69 0.94 0.98 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 0.00 115 G 7.71 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 0.00 116 R 7.85 4.46 0.00 1.95 1.84 0.00 3.11 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 117 G 7.81 3.60 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 0.00 0.00 0.00 118 A 8.06 4.11 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 0.00 119 E 8.07 4.23 0.00 2.00 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 2.34 2.28 0.00 120 A 7.64 4.21 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 *122 P 0.00 4.39 0.00 2.25 2.37 0.00 3.77 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 2.09 2.00 0.00 123 E 7.69 3.93 0.00 1.97 1.82 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 2.26 2.38 0.00 124 F 8.21 4.37 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.15 3.99 0.00 1.87 2.00 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.68 1.51 7.81 126 K 7.85 4.08 0.00 1.92 1.99 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.38 7.81 127 V 7.64 3.69 2.39 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 0.87 0.00 0.00 1.15 0.00 0.00 128 V 7.56 3.77 2.24 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 0.96 0.00 0.00 0.95 0.00 0.00 129 E 8.03 3.74 0.00 2.15 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 2.30 2.47 0.00 *131 I 7.72 4.02 1.96 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 1.32 0.89 0.85 0.00 0.00 132 E 8.13 3.97 0.00 2.11 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 2.31 2.44 0.00 133 E 8.04 3.97 0.00 1.85 1.93 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 2.29 2.30 0.00 134 R 7.15 4.05 0.00 1.80 1.78 0.00 3.17 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 135 K 8.44 4.18 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.36 7.81 136 G 9.10 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 0.00 137 E 8.67 4.05 0.00 2.00 1.77 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 2.23 1.91 0.00 138 T 8.05 4.54 4.18 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 1.13 0.00 0.00 139 P 0.00 4.20 0.00 2.01 2.00 0.00 3.70 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 2.02 2.09 0.00 140 G 8.96 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 0.00 141 K 7.65 3.78 0.00 1.78 2.03 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.37 7.81 142 E 8.12 3.99 0.00 1.93 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 2.29 2.33 0.00 143 R 7.22 4.08 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 *146 E 7.96 4.20 0.00 2.05 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 2.26 2.28 0.00 147 V 7.86 3.53 2.33 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 1.07 0.00 0.00 1.10 0.00 0.00 148 A 8.02 3.42 1.46 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 0.00 0.00 149 I 7.58 3.62 1.84 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 1.61 1.16 0.94 0.00 0.00 150 D 8.08 4.29 0.00 2.71 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 0.00 151 R 7.85 3.80 0.00 0.96 1.66 0.00 3.17 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.38 0.00 152 I 7.66 3.65 1.82 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 1.51 0.92 0.91 0.00 0.00 153 A 7.53 3.94 1.33 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 0.00 0.00 0.00 154 Q 7.82 4.06 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 155 L 8.08 4.21 0.00 1.63 1.72 1.03 0.88 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 0.00 156 G 7.92 3.86 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.