NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4667 8.1733 120.0940 56.7445 34.3501 173.8852 3 T 4.5995 8.5662 115.4376 59.3857 72.1413 172.4709 4 F 5.1250 7.7056 117.0589 55.3806 42.5162 172.8036 5 E 4.3032 9.2572 121.1709 56.4581 30.9375 175.4493 6 V 4.8593 8.0676 124.2095 61.0240 35.5272 173.9890 *8 I 3.8209 8.1101 120.8160 60.3567 38.5441 174.5703 9 Q 4.1051 8.5310 128.8304 56.1863 29.3522 174.9156 10 T 4.8415 8.0207 113.9584 59.3104 71.8959 172.2955 11 D 4.5360 8.7411 122.5730 53.5082 41.7272 178.8337 12 S 4.1924 8.6410 114.5657 61.1417 63.0363 175.2869 13 K 4.3841 8.2207 117.8666 56.0403 32.1498 177.2826 14 G 3.9589 8.1376 107.6817 45.2476 0.0000 172.5786 15 Y 5.0187 7.8585 118.2747 56.4754 39.4297 174.8336 16 L 4.4026 8.9920 127.6766 54.8385 43.1474 176.2167 17 D 4.5093 9.1885 124.7586 54.6111 42.1239 176.8720 18 A 4.0719 9.0144 126.5270 55.6431 18.6349 180.2621 19 K 3.3807 7.2500 113.5414 59.3709 31.9062 177.4225 20 F 4.9813 7.5522 114.5979 56.4153 39.1953 175.3978 21 G 3.5428 7.9968 110.0702 44.3682 0.0000 174.0517 22 G 3.1082 8.2250 108.3105 47.8806 0.0000 174.2247 23 N 4.8176 8.7575 116.1642 53.1234 39.1627 174.9902 24 A 4.0491 7.8580 121.8247 51.6249 19.2188 175.9017 25 P 4.3904 0.0000 0.0000 62.3594 32.4214 177.5865 26 K 3.8924 8.9481 122.7639 59.7603 32.1824 178.3334 27 A 3.8530 7.9307 119.9688 54.3384 18.2651 177.7014 28 F 4.3244 8.3692 112.6384 57.3556 39.7967 176.1027 29 L 4.5796 7.3465 120.9400 53.4311 42.7030 176.2925 30 N 4.7652 8.6730 119.5697 51.8642 38.5934 176.1915 31 S 4.1205 8.4886 112.0011 61.1372 63.0808 174.6185 32 N 4.6259 8.2017 116.8290 53.0186 38.2172 175.8574 33 G 3.9664 8.4177 106.8238 45.4009 0.0000 173.9556 34 L 4.2623 7.4768 120.4096 53.0303 42.7917 174.7895 35 P 4.7586 0.0000 0.0000 62.8459 29.6878 175.9244 36 T 4.7801 8.2140 113.5389 61.2050 69.3876 174.4803 37 Y 4.3993 7.9564 124.5646 56.5495 38.5957 174.5079 38 S 3.0024 7.4774 122.7524 56.5527 64.6366 171.8046 39 P 4.0266 0.0000 0.0000 61.2287 32.5214 175.5717 40 K 4.1817 8.2736 122.6124 57.3690 32.7655 175.9082 41 I 4.9283 8.9753 127.5459 59.6847 41.1386 174.5636 42 S 4.7153 8.7574 119.7083 56.8695 66.4154 172.4561 43 W 5.2800 7.4875 115.8382 55.4424 31.0762 174.2767 44 Q 4.2141 8.5931 120.5274 55.3655 28.8019 176.6933 45 K 4.0744 8.6331 124.0631 56.3935 33.2020 176.2524 46 V 4.4199 8.2355 124.2410 59.0840 33.2886 175.0717 47 E 4.1643 8.7477 122.6444 57.9564 29.6332 177.2591 48 G 3.8313 8.9304 111.0782 45.0403 0.0000 173.1159 49 A 3.9941 7.6076 122.7273 52.8257 17.9250 177.1484 50 Q 4.4619 8.6216 122.5381 57.2462 30.5163 175.7993 51 S 4.6367 7.1708 111.4317 57.9042 65.9482 174.0402 52 Y 5.3605 9.3524 118.4232 56.4064 41.5343 174.5686 53 A 5.2233 9.1667 121.8831 50.4998 23.6162 174.8329 54 L 5.1773 8.9717 120.6189 53.3964 45.9467 174.8144 55 E 5.3012 9.4086 123.5530 54.4251 33.1962 174.6426 56 L 5.2146 9.1665 123.7944 53.6673 44.8068 174.7291 57 I 5.0911 8.8444 126.9095 59.2464 41.7782 173.9265 58 D 4.8134 8.9821 128.2485 52.7843 41.8777 176.4292 59 H 4.2815 8.5033 124.6384 58.8812 28.9824 177.3879 60 D 4.4131 7.9579 116.6101 55.4348 40.6910 176.9469 61 A 4.2752 7.7401 122.5819 54.0530 19.5177 179.4405 62 Q 3.9826 8.1011 117.2350 59.3215 28.8115 178.4429 63 K 4.1812 7.9860 118.8157 58.9677 32.2499 178.4445 64 V 3.9463 7.5475 117.7068 64.8720 31.9735 176.0637 65 C 4.7084 8.6270 109.0578 57.4536 30.4379 174.3872 66 G 3.9100 8.5534 109.3976 44.9156 0.0000 171.6811 *68 P 4.3806 0.0000 0.0000 62.4125 32.6514 175.5910 69 F 4.4551 8.6980 124.3890 57.2471 41.3746 174.5913 70 V 4.3160 7.6264 126.4325 62.4459 31.9233 175.7638 71 H 4.6663 9.5550 126.8012 57.6500 30.4951 175.5013 72 W 5.6080 7.9042 125.6610 56.4323 34.2400 173.6753 73 V 5.0002 8.4972 125.8291 60.0125 34.4242 174.5232 74 V 4.7329 8.7064 124.3279 60.1720 34.7728 174.7225 75 G 4.2789 8.9706 112.1651 43.6686 0.0000 172.0101 76 N 4.0619 8.2945 113.6548 54.1858 35.8741 175.9319 77 I 4.2185 7.9991 119.3754 60.1481 37.6285 177.3689 78 A 4.0074 8.5598 128.8450 53.9003 18.7516 176.0620 79 H 5.1385 7.7277 111.1892 53.9294 33.1376 171.8216 80 N 3.1400 7.9674 115.4774 52.2729 37.3895 174.7301 81 V 4.0109 6.6734 116.4884 62.4892 35.1940 173.0043 82 L 4.7581 9.0049 126.3653 52.7181 44.3527 175.9703 83 E 4.3342 8.7535 125.1339 55.3581 31.2207 175.5764 84 E 4.0134 8.6243 124.5804 58.0436 29.9559 176.3513 85 N 3.7760 8.6118 122.5526 53.9390 38.0514 174.7680 86 A 4.1481 7.7250 121.4987 55.0889 18.7238 180.3675 87 S 4.4891 7.5194 112.9268 57.7510 61.2759 174.0780 *90 D 4.3722 7.8973 117.9840 54.2797 41.8113 174.6428 91 K 4.4186 8.6619 124.7453 56.8981 32.9906 177.6814 92 R 4.2377 8.5107 118.7898 58.2725 30.6080 177.2966 93 I 4.4854 7.8427 109.7939 60.7991 38.8261 175.8502 94 V 4.6977 8.5178 122.4884 60.1087 34.3211 174.4272 95 Q 5.1474 8.8665 121.0841 54.2483 32.1067 175.6325 96 G 2.7867 8.9005 111.4612 44.5274 0.0000 172.5979 97 V 4.2085 7.4284 121.1216 62.4087 31.8853 175.8967 98 N 4.7428 9.0834 126.4747 52.0408 39.5924 175.6098 99 S 4.3535 7.9845 113.1103 58.6790 62.6066 175.6527 100 L 4.3734 8.2729 121.1285 56.4814 41.7010 177.5491 101 T 4.0783 7.4091 113.8518 62.4046 67.7237 173.6063 102 Q 4.4364 8.8115 125.5708 55.8113 28.9201 176.5455 103 G 4.5208 8.2967 105.2279 44.2477 0.0000 174.6396 104 F 4.4315 7.6693 115.4097 56.4832 38.5511 176.2270 105 I 3.6739 8.4913 122.8162 64.8862 36.8829 177.9315 106 R 4.1822 8.1796 115.9511 57.3814 30.2963 176.9304 107 S 3.9581 7.4830 113.5854 57.8473 62.6047 171.5011 108 P 4.6724 0.0000 0.0000 62.8970 31.2817 176.0112 109 L 4.3755 7.1278 118.5688 54.1625 42.8061 177.1023 110 N 4.4764 8.3711 117.6714 53.2096 40.4598 175.7577 111 E 3.9341 8.7972 123.0998 59.8738 29.5614 179.5471 112 S 4.2256 7.9950 113.4492 61.3070 63.3130 176.1059 113 E 3.9459 8.1210 121.7646 58.9007 29.1315 179.1080 114 K 3.8523 8.4546 119.0873 59.5130 32.1852 178.6845 115 Q 3.9633 8.0432 119.6518 59.4995 28.9031 178.9450 116 R 3.8477 8.1571 119.3757 59.5586 29.9462 178.3622 117 S 4.1125 8.2015 112.0340 61.3082 62.5964 175.6048 118 N 4.3926 8.3885 119.2964 56.3282 38.3806 177.1205 119 L 3.9274 7.8099 120.1601 58.1627 41.6112 179.5349 120 N 4.5386 8.1450 114.1462 55.1107 38.6160 175.6182 121 N 4.8950 7.7938 116.9222 53.1582 39.7110 175.5527 122 S 4.8327 7.6632 115.7533 56.0555 61.4018 172.5289 123 V 4.5396 6.8432 113.1314 60.2673 36.2852 173.5263 124 Y 4.0177 8.7444 122.8724 57.3930 38.8076 173.7646 125 I 4.5123 7.7917 127.4784 59.0283 40.3786 175.3190 126 G 3.5766 7.9644 116.1659 43.3871 0.0000 171.0332 127 P 4.0143 0.0000 0.0000 61.6225 32.8440 173.7912 *129 P 4.3184 0.0000 0.0000 62.3578 31.9570 175.4456 130 P 4.7902 0.0000 0.0000 63.2735 32.0919 175.8561 131 N 4.7937 9.5564 114.6384 52.0880 37.9329 174.3561 132 G 4.2548 8.0643 105.3097 43.5480 0.0000 172.4406 133 D 4.9045 8.3231 119.9915 55.1402 41.4797 176.1645 134 H 5.2049 9.0872 117.9528 54.4185 32.5558 172.8206 135 H 4.9668 8.7473 117.5675 55.1384 30.4215 174.5653 136 Y 4.3372 8.2178 117.8488 55.9477 42.1166 173.9683 137 L 5.0388 8.8456 125.8967 53.4326 44.5648 174.8563 138 I 4.8640 9.0305 127.8021 60.0408 39.1749 174.3737 139 Q 4.7889 9.0995 128.4287 54.0865 31.9214 174.0703 140 V 4.5488 8.4539 126.2510 61.1311 34.5693 173.5387 141 Y 5.2909 9.4214 125.1620 56.2041 40.9748 174.2846 142 A 4.7391 9.0402 125.6703 50.3516 21.2897 175.9118 143 L 5.7644 8.9455 122.2848 52.1919 45.2486 176.8465 144 D 4.7406 8.7442 119.0762 53.5498 40.2150 175.9439 145 I 4.4896 7.4904 119.1544 58.7086 40.5266 173.1482 146 P 4.6112 0.0000 0.0000 62.7732 32.0434 175.8597 147 K 4.3802 7.5615 119.5177 54.5291 34.4626 175.2243 148 L 4.1289 8.3537 126.4451 54.3308 42.5463 177.8780 149 A 4.2846 8.0898 126.6098 50.8045 16.8648 175.2992 150 L 4.5070 7.4574 118.5070 52.0269 45.2511 176.4417 151 K 4.6153 8.4292 122.3677 53.8483 34.6066 175.9688 152 A 4.2107 8.8272 125.9110 52.3310 18.7998 174.8729 153 P 4.8230 0.0000 0.0000 61.6396 32.8455 175.1014 154 F 5.1518 7.9834 116.9581 55.3299 42.0220 173.3022 155 F 4.9528 10.4249 119.3812 55.3416 41.9274 176.4409 156 L 4.0684 9.0347 121.0464 59.0111 41.4319 179.3425 157 G 3.7181 8.2429 104.7216 47.5832 0.0000 175.3974 158 D 4.4183 8.5332 121.5685 56.9323 40.6476 178.2991 159 L 3.8716 8.1064 119.5695 58.7130 42.2191 178.3602 160 H 4.0937 8.0415 114.4326 58.7256 28.6735 177.0292 161 D 4.6140 8.1051 120.0074 57.3591 40.9409 180.4631 162 K 4.1524 7.6764 117.2731 55.4440 32.7935 177.0445 *164 R 3.9073 7.6222 118.1927 57.4559 30.9511 175.0815 165 N 4.4387 9.0164 119.9537 54.2905 36.2344 174.0178 166 H 4.9009 7.6613 113.1676 55.2691 31.2748 173.0003 167 I 4.5477 7.8535 120.6648 60.7638 36.8946 175.5490 168 I 4.2969 8.6227 121.4825 62.2307 39.0406 175.2932 169 A 4.7845 7.7324 122.3456 51.5803 22.4683 175.0954 170 I 4.7656 8.2663 119.2720 59.8018 41.7151 174.9170 171 G 3.4195 7.7583 113.5861 43.1015 0.0000 172.1257 172 R 5.1464 8.1098 120.7211 54.0616 33.9613 174.8166 173 K 4.6505 9.1419 123.1863 55.1975 36.0204 174.6263 174 E 5.8196 9.1184 125.6429 54.1936 32.3534 174.6767 175 F 5.0953 7.9195 115.4722 55.6614 42.2307 172.8712 176 L 5.1746 8.7296 118.5485 53.2926 44.5811 175.2564 177 Y 5.2357 8.7835 121.7587 55.6060 42.3637 174.7065 178 K 4.7247 8.2920 126.9328 56.1363 33.2498 176.0605 179 Q 4.3050 8.6542 126.5313 56.7025 29.7366 176.4800 180 F 5.2227 9.3042 126.2146 57.8889 39.4219 175.1904 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 8.17 4.47 0.00 1.81 1.94 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 3 T 8.57 4.60 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 1.15 0.00 0.00 4 F 7.71 5.13 0.00 3.25 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.26 4.30 0.00 2.16 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 2.45 2.35 0.00 6 V 8.07 4.86 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 0.96 0.00 0.00 0.87 0.00 0.00 *8 I 8.11 3.82 1.86 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.83 0.96 0.00 0.00 9 Q 8.53 4.11 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 10 T 8.02 4.84 4.47 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 1.29 0.00 0.00 11 D 8.74 4.54 0.00 3.17 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.64 4.19 0.00 4.01 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 13 K 8.22 4.38 0.00 1.90 2.15 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.48 7.81 14 G 8.14 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 15 Y 7.86 5.02 0.00 3.25 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.99 4.40 0.00 1.50 1.94 0.46 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 D 9.19 4.51 0.00 2.93 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 18 A 9.01 4.07 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.25 3.38 0.00 0.79 0.74 0.00 1.13 0.00 0.00 0.77 0.00 0.00 2.37 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.69 7.81 20 F 7.55 4.98 0.00 3.23 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 21 G 8.00 3.54 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 0.00 0.00 0.00 22 G 8.23 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 0.00 0.00 0.00 23 N 8.76 4.82 0.00 2.95 2.95 0.00 0.00 6.68 7.06 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 24 A 7.86 4.05 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 25 P 0.00 4.39 0.00 2.39 2.06 0.00 3.66 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 2.23 2.12 0.00 26 K 8.95 3.89 0.00 1.78 1.83 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.50 7.81 27 A 7.93 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.37 4.32 0.00 2.89 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 29 L 7.35 4.58 0.00 1.81 1.52 1.00 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 30 N 8.67 4.77 0.00 2.91 3.01 0.00 0.00 7.00 8.49 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 31 S 8.49 4.12 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 32 N 8.20 4.63 0.00 2.74 2.89 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 33 G 8.42 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.48 4.26 0.00 1.72 1.56 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.76 0.00 2.17 2.26 0.00 3.53 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 1.87 1.72 0.00 36 T 8.21 4.78 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 1.24 0.00 0.00 37 Y 7.96 4.40 0.00 3.20 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 38 S 7.48 3.00 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 39 P 0.00 4.03 0.00 1.27 0.49 0.00 3.00 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.23 0.00 40 K 8.27 4.18 0.00 1.73 1.69 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.58 7.81 41 I 8.98 4.93 2.16 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 1.33 0.89 1.21 0.00 0.00 42 S 8.76 4.72 0.00 3.55 3.56 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 43 W 7.49 5.28 0.00 3.61 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 44 Q 8.59 4.21 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 45 K 8.63 4.07 0.00 1.68 1.71 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.49 7.81 46 V 8.24 4.42 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.95 0.00 0.00 47 E 8.75 4.16 0.00 2.08 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 2.39 0.00 48 G 8.93 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.61 3.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.62 4.46 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.64 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 51 S 7.17 4.64 0.00 3.94 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 52 Y 9.35 5.36 0.00 3.23 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 53 A 9.17 5.22 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.97 5.18 0.00 1.42 1.17 0.81 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.41 5.30 0.00 2.14 2.11 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 2.55 2.33 0.00 56 L 9.17 5.21 0.00 2.07 1.93 1.29 1.32 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 57 I 8.84 5.09 1.93 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 1.07 1.33 0.95 0.00 0.00 58 D 8.98 4.81 0.00 3.16 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 59 H 8.50 4.28 0.00 3.17 3.25 0.00 5.69 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 60 D 7.96 4.41 0.00 2.36 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 61 A 7.74 4.28 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 62 Q 8.10 3.98 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 63 K 7.99 4.18 0.00 1.77 1.81 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.50 7.81 64 V 7.55 3.95 2.28 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 1.00 0.00 0.00 1.00 0.00 0.00 65 C 8.63 4.71 0.00 3.07 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 66 G 8.55 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.29 4.06 0.00 2.87 2.88 0.00 0.00 6.82 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.00 4.22 2.27 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.15 1.18 0.00 0.00 78 A 8.56 4.01 1.14 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 0.00 0.00 79 H 7.73 5.14 0.00 2.98 3.06 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.97 3.14 0.00 1.68 2.23 0.00 0.00 5.32 7.68 0.00 0.00 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 V 6.67 4.01 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 0.56 0.00 0.00 0.62 0.00 0.00 82 L 9.00 4.76 0.00 1.73 1.72 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.75 4.33 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 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0.00 0.00 0.00 111 E 8.80 3.93 0.00 2.07 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 2.39 2.46 0.00 112 S 8.00 4.23 0.00 4.09 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 0.00 113 E 8.12 3.95 0.00 2.12 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 0.00 2.39 2.33 0.00 114 K 8.45 3.85 0.00 1.96 1.97 0.00 1.66 0.00 0.00 1.54 0.00 0.00 3.10 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.50 7.81 115 Q 8.04 3.96 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 116 R 8.16 3.85 0.00 2.08 2.05 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 117 S 8.20 4.11 0.00 3.91 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 0.00 118 N 8.39 4.39 0.00 2.91 2.70 0.00 0.00 6.99 7.01 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 0.00 119 L 7.81 3.93 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0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.82 0.00 *129 P 0.00 4.32 0.00 2.37 1.96 0.00 3.92 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 130 P 0.00 4.79 0.00 2.24 2.29 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 131 N 9.56 4.79 0.00 2.86 2.97 0.00 0.00 6.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 G 8.06 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 0.00 133 D 8.32 4.90 0.00 2.74 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 0.00 134 H 9.09 5.20 0.00 3.08 2.53 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 H 8.75 4.97 0.00 2.85 3.07 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 8.22 4.34 0.00 1.43 2.26 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 0.00 137 L 8.85 5.04 0.00 1.65 1.38 0.89 0.87 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 0.00 138 I 9.03 4.86 2.04 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 1.41 0.94 0.95 0.00 0.00 139 Q 9.10 4.79 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 1.57 1.93 0.00 140 V 8.45 4.55 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 -0.17 0.00 0.00 0.37 0.00 0.00 141 Y 9.42 5.29 0.00 2.82 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 0.00 142 A 9.04 4.74 1.20 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 0.00 0.00 143 L 8.95 5.76 0.00 1.53 1.47 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.74 4.74 0.00 2.65 2.76 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 0.00 145 I 7.49 4.49 1.70 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 1.35 0.75 0.70 0.00 0.00 146 P 0.00 4.61 0.00 2.18 2.11 0.00 3.32 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.86 0.00 147 K 7.56 4.38 0.00 1.63 1.63 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.40 7.81 148 L 8.35 4.13 0.00 1.52 1.39 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.09 4.28 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 0.00 150 L 7.46 4.51 0.00 0.98 0.37 0.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.43 4.62 0.00 1.74 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.34 7.81 152 A 8.83 4.21 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 0.00 153 P 0.00 4.82 0.00 1.95 1.98 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 154 F 7.98 5.15 0.00 3.06 3.10 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 0.00 155 F 10.42 4.95 0.00 3.08 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 0.00 156 L 9.03 4.07 0.00 1.83 1.79 1.09 0.98 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 0.00 157 G 8.24 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 0.00 158 D 8.53 4.42 0.00 3.14 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 0.00 159 L 8.11 3.87 0.00 1.82 1.90 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 160 H 8.04 4.09 0.00 3.14 3.34 0.00 5.93 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 0.00 161 D 8.11 4.61 0.00 2.82 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 0.00 162 K 7.68 4.15 0.00 1.73 1.71 0.00 1.56 0.00 0.00 1.52 0.00 0.00 3.17 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.40 7.81 *164 R 7.62 3.91 0.00 2.07 1.88 0.00 3.28 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 165 N 9.02 4.44 0.00 2.76 2.83 0.00 0.00 6.83 8.16 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 0.00 166 H 7.66 4.90 0.00 2.92 3.27 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 I 7.85 4.55 1.95 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 1.48 0.50 1.14 0.00 0.00 168 I 8.62 4.30 1.89 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 1.24 0.60 0.91 0.00 0.00 169 A 7.73 4.78 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 I 8.27 4.77 1.72 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 0.86 1.17 0.51 0.00 0.00 171 G 7.76 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 0.00 0.00 0.00 0.00 172 R 8.11 5.15 0.00 1.54 1.70 0.00 3.09 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.00 173 K 9.14 4.65 0.00 1.91 1.64 0.00 1.53 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.58 7.81 174 E 9.12 5.82 0.00 1.89 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 0.00 2.29 2.10 0.00 175 F 7.92 5.10 0.00 3.06 3.16 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 0.00 176 L 8.73 5.17 0.00 1.00 0.33 0.54 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 8.78 5.24 0.00 3.21 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 0.00 178 K 8.29 4.72 0.00 1.54 1.54 0.00 0.88 0.00 0.00 1.19 0.00 0.00 2.53 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.28 1.58 7.81 179 Q 8.65 4.30 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 180 F 9.30 5.22 0.00 3.00 3.18 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 * Residues marked with a * may have inaccurate shift predictions.