NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4364 8.3049 118.3061 55.5180 33.2048 173.8384 2 T 4.0890 9.0213 115.0211 61.3307 72.0966 171.8714 3 Y 4.9177 8.5047 123.2591 56.3705 41.0011 174.4155 4 W 5.5098 9.1249 121.4719 55.0328 34.6912 173.7590 5 I 4.7770 8.5342 121.6187 59.5399 40.2460 173.7559 6 C 4.6361 8.9097 127.5312 57.9842 30.3174 172.8507 7 I 4.8938 8.8880 125.1889 60.5869 37.9748 174.5527 8 T 4.8521 9.2308 124.2881 60.8841 71.1966 171.5503 9 N 5.5477 8.6081 116.2008 50.3956 40.7117 175.1361 10 R 4.0976 9.1014 116.9727 59.4687 29.4398 179.0653 11 E 4.0169 8.2195 118.5712 59.5080 29.7174 178.5181 12 N 4.3340 8.5142 116.2087 55.8510 38.5162 177.0792 13 W 4.6811 8.6619 130.2220 60.7194 30.6680 177.6138 14 E 3.5369 8.0405 118.9746 59.0321 29.0197 179.0528 15 V 3.5178 7.3105 117.9987 65.9539 31.6035 177.9557 16 I 3.9310 8.2545 120.0463 64.5231 36.7973 178.3628 17 K 3.8436 7.7217 119.2893 59.3907 31.9515 178.7272 18 R 4.0222 7.6340 117.5792 58.4015 30.2078 177.5630 19 H 4.6166 8.4328 113.4530 54.2845 30.5883 174.1535 20 N 4.3593 8.3077 118.5396 54.2107 36.5786 173.9125 21 V 5.0859 7.5472 114.7175 60.9871 35.5876 174.5126 22 W 4.9249 9.1721 135.0000 55.6393 32.8129 174.5491 23 G 4.0741 7.3072 112.8916 44.4037 0.0000 171.6185 24 V 4.6172 8.1833 112.3168 58.8391 36.9495 173.5434 25 P 4.4312 0.0000 0.0000 61.6618 32.3319 177.5975 26 K 3.3381 8.7032 120.6557 59.3110 32.1706 178.7183 27 K 3.7052 7.9588 116.6905 59.8177 32.3888 176.9315 28 H 4.8400 7.8305 114.8151 55.3027 28.9961 176.9777 29 K 3.7136 7.7475 123.5424 59.8976 31.8191 178.5767 30 N 4.2749 7.8721 117.1470 56.7490 39.3532 176.5417 31 T 4.0658 7.7860 116.8141 66.5408 68.6031 176.3260 32 L 3.8257 7.7430 122.1248 57.7422 41.8690 178.8649 33 S 4.2071 7.7957 113.1733 60.5592 62.9558 175.7809 34 R 4.2909 7.4944 120.0460 56.3468 30.5781 176.8373 35 V 4.0289 7.1661 119.5448 62.5635 32.3208 175.2058 36 K 4.7731 9.3390 125.3519 53.5076 35.9565 174.0693 37 P 4.6386 0.0000 0.0000 64.6526 31.6539 176.3052 38 G 4.0839 9.2447 111.0407 45.4203 0.0000 173.9096 39 D 4.5571 8.0513 119.0870 54.6343 42.2579 175.8084 40 K 5.1232 8.4014 119.9614 54.9448 35.0346 175.3913 41 L 5.2499 9.3563 123.4680 53.0349 45.2042 175.4995 42 V 4.6504 9.1097 124.6223 61.5466 33.3620 174.5138 43 I 4.3298 8.6799 129.9851 60.4612 38.5773 174.1050 44 Y 4.9600 8.9201 128.8327 55.7245 41.8316 174.4161 45 V 4.9352 7.7691 119.8667 59.2823 34.1195 176.0524 46 R 4.4642 8.6166 122.6062 55.4517 30.7401 176.0120 47 Q 4.3014 8.5063 121.1337 56.7425 29.7272 174.9355 48 E 4.8893 9.2089 125.1622 55.4003 34.4218 173.8942 49 K 5.5386 8.6787 117.7744 55.5949 35.5413 175.7829 50 D 4.6585 8.5743 122.6357 52.8072 40.1203 176.9234 51 K 4.0593 8.4517 117.4830 59.0744 32.0051 177.8059 52 E 4.1489 8.2203 117.9137 56.3904 29.6909 176.9653 53 G 4.0329 7.9264 106.6805 45.8841 0.0000 174.0199 54 N 4.4127 8.0948 118.0743 53.1364 39.0953 173.7078 55 L 4.6082 8.3950 124.6264 54.9149 43.1969 176.2341 56 L 4.6957 9.4248 128.5063 52.5485 42.4575 175.8953 57 E 4.5272 8.6775 122.0499 55.4688 30.5285 175.1914 58 P 4.5570 0.0000 0.0000 63.2151 32.8859 174.9621 59 K 4.7057 7.6865 117.6443 56.4993 36.3824 173.7361 60 I 4.5632 8.1859 122.5634 60.6497 38.5080 176.7615 61 V 4.3332 8.2712 118.3453 59.3320 33.4662 175.3588 62 G 4.1699 6.9042 108.4941 46.4795 0.0000 171.6156 63 I 5.4225 8.5153 120.1319 59.8778 41.1635 174.7892 64 Y 5.2186 9.7756 123.5935 56.1304 42.5825 173.8064 65 E 5.1645 9.3192 121.4271 54.3473 33.0232 175.0912 66 V 4.4539 8.9591 127.4550 63.2869 32.3115 176.1775 67 T 4.8687 9.1342 117.1253 61.4513 70.3041 173.6444 68 S 4.8960 7.9603 115.3185 56.4006 66.5686 173.4139 69 E 4.4469 8.7317 119.4939 55.1985 30.3608 175.1750 70 P 4.8273 0.0000 0.0000 63.4371 32.3556 175.1025 71 Y 4.8994 8.6012 120.2775 56.2010 42.1503 173.1750 72 V 4.3628 8.1030 118.6054 61.1996 34.2427 174.5625 73 D 4.3353 8.0430 124.3381 53.7600 44.6615 175.2990 74 F 4.3313 8.9992 124.8155 57.1939 39.1685 176.1571 75 S 4.2167 8.3416 116.2975 59.1189 63.4884 175.4241 76 R 4.4265 8.2149 123.0415 55.1466 28.6448 176.5214 77 I 3.7958 7.1810 111.7814 62.4981 38.9317 177.2808 78 F 4.5978 7.6837 118.3870 56.4229 39.9012 174.6842 79 K 4.7663 8.7701 121.1407 54.3708 35.8487 173.0383 80 P 4.3648 0.0000 0.0000 63.6361 29.3044 177.5491 *83 G 3.8498 9.2747 117.4308 45.4151 0.0000 172.1733 84 G 4.2756 7.8430 107.4971 43.5081 0.0000 172.4889 85 K 4.6547 7.9879 115.6204 55.7152 32.4277 176.5069 86 E 3.9685 8.1089 119.4574 57.2323 30.3905 175.8565 87 T 4.4671 8.2210 114.1567 60.7792 70.7409 173.2847 88 Y 3.4563 7.3051 119.1354 58.6922 35.6554 168.9520 89 P 4.6046 0.0000 0.0000 64.8378 33.2472 177.2162 90 Y 4.4842 7.3693 118.6074 57.0239 38.6978 175.0660 91 R 5.5791 8.1808 122.4962 53.4480 35.4889 174.7160 92 V 4.9567 7.9787 111.8715 59.6638 36.1119 175.6042 93 K 4.9421 9.5713 124.2599 56.6668 33.3760 175.9586 94 I 5.4862 8.5786 115.5802 59.6020 41.4636 174.2070 95 K 4.9974 9.2466 121.0752 54.3925 35.8853 174.1484 96 P 3.1349 0.0000 0.0000 62.8705 31.5813 175.4993 97 I 4.3609 8.1493 121.8274 62.5071 39.8541 176.2479 98 K 4.5777 7.6233 121.4067 55.1216 35.7563 174.4926 99 I 4.9340 8.1457 127.5782 59.8233 39.3171 175.0918 100 G 4.2564 8.0114 113.2534 45.7432 0.0000 171.5258 101 E 5.8704 9.2296 119.4750 53.5281 32.3470 175.2653 102 I 4.7328 8.0129 114.4811 58.8871 41.2950 174.4324 103 N 4.7123 8.8238 122.2196 53.6435 39.3351 175.5492 104 F 4.3349 8.7431 123.5765 60.9091 39.5587 177.9637 105 K 3.3322 8.0159 117.7133 59.1663 31.6778 177.1425 106 P 4.1859 0.0000 0.0000 64.7587 31.3703 177.5240 107 L 4.1961 7.4117 116.6740 54.9175 41.9925 178.3530 108 I 3.2677 7.1365 121.4026 64.4345 36.8132 177.7518 109 N 4.2269 7.8476 114.7836 56.3167 38.4552 175.7220 110 D 4.4678 7.5048 115.1907 54.6489 41.3985 176.2040 111 L 4.4964 7.4725 121.4409 53.2671 42.0020 177.2632 112 K 3.8639 9.2053 126.0271 59.4206 32.1875 178.0534 113 F 4.2403 8.8745 112.4065 58.9922 37.6541 175.4049 114 I 3.5380 6.4511 122.1818 59.4499 35.7173 175.9534 115 K 3.9142 7.9886 124.0939 59.1116 32.3545 178.2061 116 N 4.6834 8.1620 124.5618 52.2153 37.9651 175.4522 117 K 4.1026 8.5747 125.9784 59.2096 32.6326 178.9843 118 K 4.1939 8.3716 118.8002 58.9147 32.8845 177.6356 119 R 4.6845 8.8420 117.8890 54.7411 30.3719 177.5347 120 W 4.6752 8.4956 118.9165 59.0968 28.2891 177.4275 121 S 3.8369 7.2527 114.6836 61.5320 61.7233 175.8989 122 M 3.9891 7.9133 120.9282 58.6574 31.9079 176.9776 123 H 4.7648 8.6123 114.0150 56.5052 29.5396 176.0853 124 F 4.7551 8.6819 119.9234 56.5247 40.5937 174.7833 125 F 3.8471 8.3161 119.4763 59.4146 39.0803 174.6737 126 G 3.8314 8.1310 115.7689 46.2531 0.0000 172.6362 127 K 4.5129 7.8760 117.1299 54.1247 35.2408 176.4223 128 A 4.3885 8.1192 125.1013 54.6688 19.4481 177.0223 129 M 5.2691 7.4938 109.6782 54.6023 34.0102 174.4720 130 R 4.9409 8.6123 115.6009 54.5238 33.4668 173.9900 131 E 3.8711 8.7001 121.2612 56.1688 30.5119 175.6993 132 L 4.6362 8.0447 125.5487 51.7773 44.3846 175.0589 133 P 4.3512 0.0000 0.0000 62.3683 32.2363 176.5928 134 E 3.6391 9.0801 120.8673 59.7397 29.2911 179.0360 135 E 3.9228 8.2052 117.7347 59.7858 29.5830 178.9359 136 D 4.3931 8.0990 118.0338 57.4766 40.8668 178.1261 137 Y 3.8595 7.6881 119.3368 60.6505 38.7753 178.1488 138 K 3.6605 8.0783 119.4953 59.3459 32.0398 178.8413 139 L 3.8682 7.8832 120.3454 58.4028 41.7496 179.2510 140 I 3.6491 7.3333 118.2301 64.1445 37.1927 177.5995 141 E 3.7957 8.2973 120.5589 59.0716 29.3346 179.0974 142 K 3.8840 7.9534 118.2724 59.5230 32.0450 179.2093 143 L 4.1736 7.4797 116.3728 56.1593 41.5750 177.9577 144 L 4.5435 7.0843 118.5772 54.4457 42.7531 175.5052 145 L 4.1061 7.6834 124.8388 56.0939 42.0146 176.1975 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 M 8.30 4.44 0.00 1.89 2.09 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.25 0.00 2 T 9.02 4.09 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 0.25 0.00 0.00 3 Y 8.50 4.92 0.00 2.90 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 4 W 9.12 5.51 0.00 3.09 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 5 I 8.53 4.78 1.70 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.59 0.54 0.00 0.00 6 C 8.91 4.64 0.00 1.82 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 7 I 8.89 4.89 2.11 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.47 1.16 0.00 0.00 8 T 9.23 4.85 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 1.42 0.00 0.00 9 N 8.61 5.55 0.00 3.20 2.93 0.00 0.00 5.99 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 10 R 9.10 4.10 0.00 2.00 2.14 0.00 3.28 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 11 E 8.22 4.02 0.00 2.09 2.01 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 2.44 2.45 0.00 12 N 8.51 4.33 0.00 3.03 2.92 0.00 0.00 6.67 7.02 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 13 W 8.66 4.68 0.00 3.38 3.39 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 14 E 8.04 3.54 0.00 2.07 2.04 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 2.25 2.26 0.00 15 V 7.31 3.52 2.29 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 0.49 0.00 0.00 0.96 0.00 0.00 16 I 8.25 3.93 2.32 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.91 1.04 0.00 0.00 17 K 7.72 3.84 0.00 0.79 1.49 0.00 1.56 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.20 1.28 7.81 18 R 7.63 4.02 0.00 1.78 1.73 0.00 3.10 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 19 H 8.43 4.62 0.00 3.06 3.26 0.00 5.81 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.31 4.36 0.00 2.97 3.11 0.00 0.00 6.26 7.84 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 21 V 7.55 5.09 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 0.92 0.00 0.00 1.12 0.00 0.00 22 W 9.17 4.92 0.00 3.41 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 23 G 7.31 4.07 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 0.00 0.00 0.00 24 V 8.18 4.62 2.04 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 0.54 0.00 0.00 0.90 0.00 0.00 25 P 0.00 4.43 0.00 2.06 1.95 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.62 0.00 26 K 8.70 3.34 0.00 1.95 1.79 0.00 1.84 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.28 7.81 27 K 7.96 3.71 0.00 1.69 1.81 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 0.87 7.81 28 H 7.83 4.84 0.00 3.19 3.28 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.75 3.71 0.00 1.24 1.13 0.00 1.02 0.00 0.00 1.14 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.21 7.81 30 N 7.87 4.27 0.00 2.67 2.86 0.00 0.00 7.00 7.70 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 31 T 7.79 4.07 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 32 L 7.74 3.83 0.00 1.65 1.72 0.88 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.80 4.21 0.00 4.08 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.49 4.29 0.00 2.24 2.28 0.00 3.29 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 35 V 7.17 4.03 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 0.63 0.00 0.00 0.17 0.00 0.00 36 K 9.34 4.77 0.00 1.78 1.65 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.56 7.81 37 P 0.00 4.64 0.00 2.06 2.04 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 38 G 9.24 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.05 4.56 0.00 2.83 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 40 K 8.40 5.12 0.00 1.69 1.69 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.58 7.81 41 L 9.36 5.25 0.00 1.57 1.38 0.77 0.81 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 42 V 9.11 4.65 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 1.00 0.00 0.00 1.14 0.00 0.00 43 I 8.68 4.33 1.35 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 1.15 0.77 0.55 0.00 0.00 44 Y 8.92 4.96 0.00 2.91 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 45 V 7.77 4.94 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 0.71 0.00 0.00 0.75 0.00 0.00 46 R 8.62 4.46 0.00 1.90 2.13 0.00 3.11 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 47 Q 8.51 4.30 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 48 E 9.21 4.89 0.00 1.89 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 2.24 2.46 0.00 49 K 8.68 5.54 0.00 1.87 1.75 0.00 1.20 0.00 0.00 2.43 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.40 7.81 50 D 8.57 4.66 0.00 2.86 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 51 K 8.45 4.06 0.00 1.78 1.93 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.44 7.81 52 E 8.22 4.15 0.00 2.04 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 2.31 2.30 0.00 53 G 7.93 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 54 N 8.09 4.41 0.00 2.98 2.76 0.00 0.00 6.49 6.20 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 55 L 8.40 4.61 0.00 1.66 1.59 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 56 L 9.42 4.70 0.00 1.62 1.60 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.68 4.53 0.00 2.00 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 2.28 2.32 0.00 58 P 0.00 4.56 0.00 1.99 2.22 0.00 3.80 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 2.19 2.27 0.00 59 K 7.69 4.71 0.00 1.94 1.83 0.00 1.26 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.11 1.19 7.81 60 I 8.19 4.56 1.92 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 0.97 0.96 0.00 0.00 61 V 8.27 4.33 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 -0.79 0.00 0.00 62 G 6.90 4.17 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 0.00 63 I 8.52 5.42 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 1.16 0.00 0.00 64 Y 9.78 5.22 0.00 2.90 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 65 E 9.32 5.16 0.00 2.04 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 2.24 2.49 0.00 66 V 8.96 4.45 2.27 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 1.02 0.00 0.00 0.99 0.00 0.00 67 T 9.13 4.87 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 68 S 7.96 4.90 0.00 3.87 3.89 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 69 E 8.73 4.45 0.00 1.94 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 2.35 2.32 0.00 70 P 0.00 4.83 0.00 1.97 1.99 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 71 Y 8.60 4.90 0.00 3.06 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 72 V 8.10 4.36 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 0.33 0.00 0.00 0.85 0.00 0.00 73 D 8.04 4.34 0.00 2.99 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 74 F 9.00 4.33 0.00 3.05 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.34 4.22 0.00 3.94 4.01 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 76 R 8.21 4.43 0.00 1.83 1.96 0.00 3.22 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 77 I 7.18 3.80 1.21 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.36 0.55 0.00 0.00 78 F 7.68 4.60 0.00 3.21 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 79 K 8.77 4.77 0.00 1.97 1.75 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.55 7.81 80 P 0.00 4.36 0.00 2.09 1.66 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 *83 G 9.27 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 0.00 0.00 0.00 84 G 7.84 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 0.00 0.00 0.00 0.00 85 K 7.99 4.65 0.00 1.81 1.81 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.39 7.81 86 E 8.11 3.97 0.00 1.68 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 1.47 1.47 0.00 87 T 8.22 4.47 4.32 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 1.36 0.00 0.00 88 Y 7.31 3.46 0.00 2.70 2.35 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 89 P 0.00 4.60 0.00 0.49 0.88 0.00 3.74 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00 90 Y 7.37 4.48 0.00 2.95 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 91 R 8.18 5.58 0.00 0.84 1.63 0.00 2.82 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.14 0.00 92 V 7.98 4.96 2.19 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 0.78 0.00 0.00 1.08 0.00 0.00 93 K 9.57 4.94 0.00 1.73 1.81 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.53 7.81 94 I 8.58 5.49 2.16 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 1.56 0.81 1.12 0.00 0.00 95 K 9.25 5.00 0.00 1.84 1.96 0.00 1.34 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.41 7.81 96 P 0.00 3.13 0.00 1.76 1.44 0.00 3.71 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 97 I 8.15 4.36 2.05 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.95 0.00 0.00 98 K 7.62 4.58 0.00 1.83 1.59 0.00 1.54 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.54 7.81 99 I 8.15 4.93 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.85 1.15 0.00 0.00 100 G 8.01 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 0.00 101 E 9.23 5.87 0.00 1.95 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 0.00 2.20 2.12 0.00 102 I 8.01 4.73 1.85 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 1.35 0.85 0.92 0.00 0.00 103 N 8.82 4.71 0.00 2.70 2.78 0.00 0.00 6.94 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 0.00 104 F 8.74 4.33 0.00 3.15 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 0.00 105 K 8.02 3.33 0.00 1.74 1.70 0.00 1.88 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.33 1.52 7.81 106 P 0.00 4.19 0.00 1.90 2.03 0.00 3.56 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.10 0.00 107 L 7.41 4.20 0.00 1.22 1.43 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.14 3.27 1.53 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.16 0.64 0.00 0.00 109 N 7.85 4.23 0.00 2.61 2.81 0.00 0.00 6.91 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 0.00 110 D 7.50 4.47 0.00 2.53 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 0.00 111 L 7.47 4.50 0.00 1.70 1.54 0.92 0.75 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 0.00 112 K 9.21 3.86 0.00 1.73 2.07 0.00 2.15 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.45 7.81 113 F 8.87 4.24 0.00 3.11 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 0.00 114 I 6.45 3.54 1.65 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.94 0.00 0.00 115 K 7.99 3.91 0.00 1.81 1.91 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.49 7.81 116 N 8.16 4.68 0.00 2.78 2.81 0.00 0.00 7.06 6.21 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 0.00 117 K 8.57 4.10 0.00 1.82 1.87 0.00 1.81 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.35 7.81 118 K 8.37 4.19 0.00 1.76 2.02 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.51 7.81 119 R 8.84 4.68 0.00 1.89 1.79 0.00 3.14 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 120 W 8.50 4.68 0.00 3.82 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 7.25 3.84 0.00 3.80 3.46 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 0.00 122 M 7.91 3.99 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 123 H 8.61 4.76 0.00 3.53 3.50 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.68 4.76 0.00 3.14 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 0.00 125 F 8.32 3.85 0.00 3.15 3.08 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 0.00 126 G 8.13 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 0.00 127 K 7.88 4.51 0.00 1.91 1.66 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.57 7.81 128 A 8.12 4.39 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 0.00 129 M 7.49 5.27 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 130 R 8.61 4.94 0.00 1.85 1.97 0.00 2.79 0.00 0.00 2.83 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.21 0.00 131 E 8.70 3.87 0.00 1.19 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 1.95 1.83 0.00 132 L 8.04 4.64 0.00 1.39 1.44 0.93 0.29 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 0.00 133 P 0.00 4.35 0.00 2.23 2.19 0.00 3.73 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 2.23 2.04 0.00 134 E 9.08 3.64 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 135 E 8.21 3.92 0.00 2.05 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 2.41 2.42 0.00 136 D 8.10 4.39 0.00 2.93 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 0.00 137 Y 7.69 3.86 0.00 2.65 2.51 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 0.00 138 K 8.08 3.66 0.00 1.88 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.59 7.81 139 L 7.88 3.87 0.00 1.71 1.82 0.86 0.89 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 0.00 140 I 7.33 3.65 1.81 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.86 0.00 0.00 141 E 8.30 3.80 0.00 1.31 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 2.19 2.16 0.00 142 K 7.95 3.88 0.00 1.98 1.79 0.00 1.46 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.48 7.81 143 L 7.48 4.17 0.00 1.52 1.68 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.08 4.54 0.00 1.63 1.73 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 145 L 7.68 4.11 0.00 1.75 1.65 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.