NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.8537 8.4449 120.3979 54.9668 32.3885 172.2558 1 M 4.7505 7.9072 117.5963 52.8093 35.7753 172.7372 2 A 5.0215 8.7046 123.7547 50.1465 22.6603 174.4831 3 L 4.5053 9.0599 125.8425 53.8610 44.0305 175.2263 4 T 4.7637 8.4722 123.5786 62.3201 69.7333 174.8944 5 V 3.9476 8.6328 128.6495 61.9842 30.8058 175.2020 6 K 4.3446 8.6808 127.8527 56.9544 33.5766 176.8730 7 D 5.0377 7.5318 116.8338 50.8121 43.8145 176.7322 8 V 3.6470 8.1616 118.3857 65.7466 31.5881 177.3881 9 N 4.2793 8.2028 116.5979 56.8655 38.9019 176.7980 10 I 3.7795 8.4310 121.5293 64.0450 37.0578 178.1402 11 L 4.0284 7.9630 121.2944 58.3909 41.8805 179.2470 12 S 4.1293 8.5012 115.3923 61.8026 62.7953 176.7009 13 Q 4.0017 8.0404 120.4313 59.1101 28.4341 178.4386 14 Y 4.1165 8.1448 120.5222 60.7827 38.8456 177.9592 15 I 3.4565 8.1566 121.1408 64.3223 37.1404 178.6180 16 S 4.1309 8.4254 116.5656 61.4728 62.6761 176.9374 17 G 3.5206 7.9912 108.4075 47.7113 0.0000 175.8602 18 V 3.3998 7.4279 120.5894 66.0293 31.4630 178.1377 19 M 3.9667 7.9985 118.2357 58.1416 31.8344 178.6480 20 A 3.8275 8.0335 121.1408 54.9791 18.4668 179.9505 21 R 3.8301 7.9905 116.5156 59.2192 30.1019 179.1335 22 A 3.8880 7.9997 120.7317 54.7934 18.1139 179.1176 23 D 4.1827 7.8428 115.8810 57.9554 41.3860 178.0205 24 H 4.4473 7.6775 114.9249 58.3109 28.8937 176.0279 25 H 4.9101 8.5250 114.1374 55.2864 31.4645 173.5791 26 A 4.6828 7.8699 122.2574 50.6985 18.6350 177.4491 27 G 3.6616 7.8898 112.2028 47.8265 0.0000 173.9591 28 N 4.6182 8.1828 117.4361 55.3194 39.5154 175.8420 29 V 4.7401 7.6442 109.0201 60.7468 33.5196 176.7815 30 E 3.8606 7.9416 120.8530 59.3733 29.5021 178.5905 31 E 4.0503 8.3064 118.4205 59.5780 29.6233 179.2762 32 I 3.7288 8.0170 117.5064 63.5330 38.0267 177.4254 33 A 3.9034 7.8643 121.9210 55.1598 18.2325 179.5829 34 L 3.8409 7.7130 117.1127 57.8287 41.6562 179.6003 35 A 3.9183 7.7815 120.2901 54.9185 18.2797 179.5302 36 L 3.4251 7.9815 117.5923 57.4659 41.5986 179.3057 37 A 3.9448 7.9673 120.9614 55.2865 18.2226 180.0120 38 G 3.4247 7.7699 103.2833 47.8400 0.0000 175.8334 39 A 4.0810 7.8315 123.3360 54.7614 18.3363 179.8618 40 I 3.7230 7.6212 118.6790 64.5702 36.9560 178.6842 41 L 4.0560 7.6694 118.6441 57.3109 41.4448 179.0786 42 W 4.5336 8.2637 127.9028 60.3152 30.8669 177.4986 43 R 4.1468 7.5675 113.9370 54.8787 30.6559 176.9758 44 K 4.3140 7.3092 118.5699 56.5924 33.1676 177.0068 45 D 4.7145 8.5068 121.2534 52.8039 40.8183 175.8326 46 D 4.5861 8.4925 117.2451 55.8156 41.0076 177.1941 47 T 4.0371 7.9478 117.3174 63.2430 68.9643 174.0692 48 N 4.5333 8.5499 123.2608 52.9990 39.4201 175.0829 49 I 4.1543 8.3270 123.0774 61.6572 38.6664 175.0224 50 K 5.0538 9.0295 124.9788 54.5512 36.0599 175.2600 51 V 4.8254 8.9880 124.4590 61.5513 33.8950 173.9734 52 M 5.1482 9.2594 128.2596 53.9585 33.6993 175.1478 53 A 4.9627 8.7513 124.4896 49.5340 22.5705 176.9024 *59 K 4.6944 8.3468 118.4780 56.1969 33.6925 176.3045 60 N 4.8672 8.3385 115.6557 53.2648 39.4506 174.9084 61 V 4.5522 8.9414 122.1650 61.0247 34.8048 173.8090 62 L 4.8791 8.9559 130.7042 53.9103 43.7301 174.9479 63 W 5.5617 9.5624 126.7755 55.0231 31.8243 175.3142 64 V 4.9708 9.0553 122.9402 60.5817 35.0106 173.8572 65 T 5.1948 8.6907 118.9799 62.1471 71.0572 173.6574 66 I 4.6365 8.8241 126.9827 60.3468 39.9012 175.2726 67 N 4.1989 9.9099 125.5878 54.7474 37.0255 174.7862 68 G 3.9911 8.4893 102.8423 45.4429 0.0000 173.2489 69 E 4.6210 8.0174 119.2798 54.2496 32.3745 174.9946 70 R 4.9331 8.1060 121.1932 55.5030 32.2322 174.8922 71 Y 5.1737 9.3822 120.7794 56.0273 41.7758 174.3073 72 A 4.3480 8.6676 125.1075 49.8412 21.5475 175.0878 73 F 5.3324 9.0869 122.1901 55.8793 42.0307 175.1209 74 S 5.0102 8.8985 116.2519 57.7704 67.3678 171.9824 75 Y 5.1362 8.6161 121.2841 56.0781 40.8685 173.6220 76 N 4.6489 8.7444 126.8515 52.5270 39.4441 175.2034 77 H 4.2367 8.5701 122.1649 57.0280 29.5386 176.4870 78 S 4.2702 7.9857 115.3326 60.7582 62.4363 175.2029 79 S 4.2444 8.0615 111.9929 58.5049 63.4061 173.4552 80 E 4.1962 7.7127 119.0542 56.9211 27.4195 174.1222 81 K 4.9982 7.3772 115.3372 54.5713 36.7974 175.8448 82 I 4.8010 8.8429 124.2269 61.1223 38.5551 174.8778 83 E 4.9336 9.5450 127.4404 55.1514 31.9824 174.8158 84 M 4.5020 8.8852 123.2599 53.8123 34.8285 174.4718 85 R 4.9989 8.6130 125.3076 54.1639 33.7732 174.6597 86 K 4.1065 8.1911 124.0662 56.2420 33.8294 174.7975 87 G 4.0768 8.6011 122.6217 45.2731 0.0000 172.7038 *92 N 4.4332 7.6876 115.5101 52.3471 40.4041 173.9700 93 T 4.4624 8.2402 113.8731 61.3513 69.8518 174.4084 94 I 4.1751 8.1901 118.1350 62.1821 39.2396 175.5048 95 H 4.7636 7.7647 118.3008 54.2544 33.1832 172.2218 96 E 5.0326 8.3541 120.3508 54.5624 32.5995 175.3609 97 F 5.2030 9.1858 121.3121 56.2360 43.3807 174.1463 98 D 5.1519 8.9517 120.0965 52.9022 42.1486 175.3186 99 N 4.3430 8.8639 115.3872 56.6015 38.5801 176.7351 100 S 4.1910 8.3337 112.1511 60.7382 62.6539 174.1806 101 T 4.0077 7.9720 117.5774 62.8817 68.5195 172.9481 102 P 4.4307 0.0000 0.0000 62.3311 33.1718 177.5622 103 L 4.0966 8.6294 121.8930 57.7115 41.5457 180.0176 104 S 4.1409 8.0535 114.0877 61.3746 62.8765 176.3853 105 K 3.9959 8.0528 122.9936 58.9162 32.0424 178.3048 106 L 4.2175 7.9992 120.4396 58.2845 42.0680 179.0871 107 V 3.8333 8.2459 118.5274 66.0567 31.3919 177.4240 108 E 4.0250 8.4694 119.0333 59.4397 29.2352 178.8696 109 I 3.6658 7.9232 118.5693 64.6566 37.6761 178.2575 110 F 3.9042 8.5297 118.5858 60.1825 38.5016 177.7455 111 K 3.8573 8.7662 119.1442 59.0905 32.0979 178.3347 112 G 3.8162 7.6875 103.3724 45.4952 0.0000 173.5928 113 L 4.1053 7.3182 125.5349 55.0025 41.5676 176.7672 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 0 H 8.44 4.85 0.00 3.13 3.52 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.91 4.75 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.34 0.00 2 A 8.70 5.02 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 3 L 9.06 4.51 0.00 1.75 1.62 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.47 4.76 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 5 V 8.63 3.95 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 0.74 0.00 0.00 0.79 0.00 0.00 6 K 8.68 4.34 0.00 1.78 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.56 7.81 7 D 7.53 5.04 0.00 2.89 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 8 V 8.16 3.65 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 1.04 0.00 0.00 0.94 0.00 0.00 9 N 8.20 4.28 0.00 2.88 3.08 0.00 0.00 7.24 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 10 I 8.43 3.78 1.89 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 1.78 0.91 0.93 0.00 0.00 11 L 7.96 4.03 0.00 1.87 1.88 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.50 4.13 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 13 Q 8.04 4.00 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 14 Y 8.14 4.12 0.00 3.07 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 15 I 8.16 3.46 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.60 0.83 0.00 0.00 16 S 8.43 4.13 0.00 4.00 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 17 G 7.99 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.43 3.40 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 0.85 0.00 0.00 0.26 0.00 0.00 19 M 8.00 3.97 0.00 1.97 2.11 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 2.53 2.74 0.00 20 A 8.03 3.83 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 21 R 7.99 3.83 0.00 1.93 1.93 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 22 A 8.00 3.89 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 23 D 7.84 4.18 0.00 2.77 2.68 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 0.00 0.00 0.00 0.00 24 H 7.68 4.45 0.00 2.84 2.92 0.00 5.67 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 25 H 8.53 4.91 0.00 3.14 3.27 0.00 5.61 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 26 A 7.87 4.68 0.60 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 27 G 7.89 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.18 4.62 0.00 2.89 2.94 0.00 0.00 6.99 7.71 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 29 V 7.64 4.74 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 1.06 0.00 0.00 0.89 0.00 0.00 30 E 7.94 3.86 0.00 1.95 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 31 E 8.31 4.05 0.00 2.25 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 2.31 2.30 0.00 32 I 8.02 3.73 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.39 1.02 0.00 0.00 33 A 7.86 3.90 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 34 L 7.71 3.84 0.00 1.59 1.65 0.87 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.78 3.92 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 36 L 7.98 3.43 0.00 1.69 1.38 0.80 0.31 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 37 A 7.97 3.94 1.31 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 0.00 0.00 0.00 38 G 7.77 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 39 A 7.83 4.08 0.31 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 0.00 0.00 0.00 40 I 7.62 3.72 1.73 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.78 0.88 0.00 0.00 41 L 7.67 4.06 0.00 1.78 1.76 0.94 0.97 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 42 W 8.26 4.53 0.00 3.23 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 43 R 7.57 4.15 0.00 1.82 1.75 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.44 0.00 44 K 7.31 4.31 0.00 1.97 2.02 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.42 7.81 45 D 8.51 4.71 0.00 2.80 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 46 D 8.49 4.59 0.00 2.71 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 47 T 7.95 4.04 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 1.24 0.00 0.00 48 N 8.55 4.53 0.00 2.72 2.76 0.00 0.00 7.04 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 49 I 8.33 4.15 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.85 0.00 0.00 50 K 9.03 5.05 0.00 1.79 1.72 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.37 7.81 51 V 8.99 4.83 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 1.07 0.00 0.00 0.37 0.00 0.00 52 M 9.26 5.15 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.94 0.00 53 A 8.75 4.96 1.26 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 *59 K 8.35 4.69 0.00 1.85 1.96 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 60 N 8.34 4.87 0.00 2.84 2.89 0.00 0.00 6.85 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 61 V 8.94 4.55 2.22 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 0.55 0.00 0.00 0.98 0.00 0.00 62 L 8.96 4.88 0.00 1.85 1.66 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.56 5.56 0.00 3.41 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 64 V 9.06 4.97 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 1.27 0.00 0.00 1.07 0.00 0.00 65 T 8.69 5.19 4.60 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 1.41 0.00 0.00 66 I 8.82 4.64 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.17 0.93 0.00 0.00 67 N 9.91 4.20 0.00 2.79 2.95 0.00 0.00 7.29 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 68 G 8.49 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 69 E 8.02 4.62 0.00 1.92 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 2.38 2.42 0.00 70 R 8.11 4.93 0.00 1.84 2.11 0.00 2.99 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 71 Y 9.38 5.17 0.00 2.97 2.52 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 0.00 0.00 0.00 0.00 72 A 8.67 4.35 -0.13 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 73 F 9.09 5.33 0.00 2.91 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 74 S 8.90 5.01 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.62 5.14 0.00 3.12 2.96 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 76 N 8.74 4.65 0.00 2.71 2.52 0.00 0.00 6.58 7.87 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 77 H 8.57 4.24 0.00 3.42 3.53 0.00 5.57 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 78 S 7.99 4.27 0.00 3.72 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 79 S 8.06 4.24 0.00 3.96 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 80 E 7.71 4.20 0.00 2.21 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 0.00 2.37 2.25 0.00 81 K 7.38 5.00 0.00 1.62 1.68 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.62 7.81 82 I 8.84 4.80 2.19 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 1.49 1.00 1.24 0.00 0.00 83 E 9.54 4.93 0.00 1.85 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 2.22 2.21 0.00 84 M 8.89 4.50 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.34 0.00 85 R 8.61 5.00 0.00 1.56 1.67 0.00 3.02 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.41 0.00 86 K 8.19 4.11 0.00 1.79 1.59 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.12 0.69 7.81 87 G 8.60 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 *92 N 7.69 4.43 0.00 2.73 2.70 0.00 0.00 6.69 7.22 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 93 T 8.24 4.46 4.16 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 1.15 0.00 0.00 94 I 8.19 4.18 1.70 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.64 0.88 0.00 0.00 95 H 7.76 4.76 0.00 2.82 2.46 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.35 5.03 0.00 1.68 1.75 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 2.12 2.19 0.00 97 F 9.19 5.20 0.00 3.03 2.92 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 98 D 8.95 5.15 0.00 3.06 2.87 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 0.00 0.00 0.00 99 N 8.86 4.34 0.00 2.77 3.07 0.00 0.00 6.94 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 0.00 100 S 8.33 4.19 0.00 3.85 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 0.00 101 T 7.97 4.01 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 1.49 0.00 0.00 102 P 0.00 4.43 0.00 2.20 2.00 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 103 L 8.63 4.10 0.00 1.68 1.71 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.05 4.14 0.00 4.08 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 0.00 105 K 8.05 4.00 0.00 1.91 2.12 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.61 1.56 7.81 106 L 8.00 4.22 0.00 1.93 1.90 0.71 0.63 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 0.00 107 V 8.25 3.83 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 108 E 8.47 4.03 0.00 2.26 2.22 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 2.36 2.42 0.00 109 I 7.92 3.67 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.89 0.60 0.00 0.00 110 F 8.53 3.90 0.00 3.40 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 0.00 111 K 8.77 3.86 0.00 2.16 1.98 0.00 1.92 0.00 0.00 1.84 0.00 0.00 3.30 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.55 1.72 7.81 112 G 7.69 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 0.00 113 L 7.32 4.11 0.00 1.58 1.43 0.03 0.24 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 * Residues marked with a * may have inaccurate shift predictions.