NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.2947 0.0000 0.0000 62.5762 33.9616 173.8199 2 H 5.5508 7.6632 116.2979 53.3825 32.4325 171.8774 3 F 5.6124 8.8951 123.8845 55.6590 43.6082 173.1285 4 L 4.4922 8.2762 123.7960 53.6382 44.0437 175.3433 5 I 4.6954 8.4827 127.8134 59.8813 38.7950 174.1719 6 L 5.1561 9.0445 131.1520 53.4603 43.9243 174.7231 7 N 5.4911 9.2585 124.4331 51.7234 41.9984 175.3882 8 G 4.2198 9.0589 113.0480 43.1163 0.0000 170.7973 9 P 4.9375 0.0000 0.0000 63.8313 31.4722 176.5513 10 N 4.4500 8.7769 116.6482 53.7268 37.7807 176.6296 11 V 3.6569 7.6272 118.6739 65.5344 31.8374 177.4736 12 N 4.2396 8.2568 116.3198 55.8392 36.5812 175.4788 13 R 4.2964 8.0277 116.1520 55.6207 30.5607 175.5705 14 L 3.9904 7.8118 120.1093 56.9013 40.9189 176.3712 15 G 3.7152 9.2367 115.9017 46.3010 0.0000 175.8175 16 S 4.2320 7.6309 113.4992 59.9141 62.6584 174.3755 17 R 4.3327 7.3853 115.9510 57.7041 32.0634 176.4358 *23 G 4.0279 7.4181 105.8034 46.2399 0.0000 176.2744 24 R 4.2154 8.7262 123.8455 57.0192 29.6697 176.3869 25 Q 4.4076 7.8711 114.8598 56.9012 29.5104 175.8724 26 T 5.1397 7.9610 111.8080 58.9806 72.5343 175.3715 27 L 3.8717 8.2104 122.0256 58.5715 41.9229 178.9582 28 T 3.6938 7.7355 115.0746 66.5837 68.4546 175.8613 29 D 4.3192 8.0453 120.6985 57.6571 40.9121 178.9907 30 I 3.6168 7.6852 119.8798 64.4836 37.0877 178.1218 31 E 3.3805 8.0384 119.9751 59.2414 29.2348 178.9436 32 T 3.7894 7.9148 115.9151 66.8195 68.5113 176.3013 33 D 4.4008 8.0718 120.6886 57.4661 40.7333 178.9569 34 L 4.3116 8.2783 121.9948 58.0992 41.5585 180.0197 *35 F 4.3559 8.6633 121.1236 62.2612 37.5232 179.9951 36 Q 4.2274 8.4468 119.2857 58.8806 28.0452 179.1495 37 F 4.2377 8.8964 121.6546 61.2434 39.4684 177.1145 38 A 3.8144 8.9373 121.3478 54.9492 18.1734 179.3487 39 E 3.8881 8.5314 117.2318 59.6332 29.3417 179.3074 40 A 4.0124 7.5289 120.8558 55.1166 18.3355 179.3353 41 L 4.2375 6.8412 117.5664 55.2656 42.2173 178.8814 42 H 4.3249 8.2643 114.9148 57.7214 26.6159 175.1111 43 I 4.7302 7.7433 110.3389 59.3617 40.7819 176.1769 44 Q 4.4387 9.2241 124.7525 55.4154 30.3360 174.8586 45 L 5.3001 8.2365 120.4417 53.4409 45.9698 175.9198 46 T 4.7408 8.5626 118.1781 61.8158 72.2261 172.9176 47 F 5.3551 8.9675 123.4258 55.9519 41.8204 174.8911 48 F 5.0532 9.1471 123.7273 56.9826 43.0480 172.7681 49 Q 5.2894 7.7630 125.8124 53.3675 31.9582 173.9142 50 S 4.5406 8.0234 118.2609 57.2669 66.2099 174.1019 51 N 4.6304 8.9493 120.4672 54.2493 39.2120 174.4810 52 H 4.7873 8.2846 117.6122 54.3518 29.6019 175.3452 53 E 3.9901 9.1601 126.0534 59.5854 29.4153 179.0262 54 G 3.7225 8.1729 104.8675 47.9141 0.0000 175.2083 55 D 4.4931 8.1814 121.1805 57.2634 40.8475 178.7910 56 L 4.1443 7.9595 119.1686 57.7058 41.7224 179.4372 57 I 3.6665 7.7246 119.9210 64.2310 37.0508 177.9096 58 D 4.3367 8.1764 119.5796 57.6078 40.7501 179.0063 59 A 3.9659 8.1913 121.0608 55.1108 18.0961 179.7717 60 I 3.7021 7.5571 117.5209 64.9077 37.1150 178.0823 61 H 4.4520 8.1857 117.0295 58.9136 28.3868 177.4282 62 E 3.9029 8.4493 119.0751 58.0852 29.3282 178.8199 63 A 4.1962 8.0932 121.7245 55.1522 18.1907 178.9877 64 E 3.9415 7.6407 116.7872 58.8914 29.6481 177.4511 65 E 4.5076 7.3923 115.1881 56.0427 29.8617 176.1165 66 Q 4.1016 7.5773 117.7310 55.5640 31.4927 173.8350 67 Y 4.9076 8.0237 114.0768 56.1960 40.9429 175.2416 68 S 4.7947 8.7831 114.7583 58.3900 64.0549 174.0199 69 G 4.2747 7.9299 106.0589 45.9389 0.0000 172.3813 70 I 5.1031 8.5888 121.3911 59.1907 41.3158 174.7744 71 V 4.5232 8.9250 126.6263 61.1973 33.4465 173.9522 72 L 5.0726 9.0431 130.9198 53.3891 44.7170 174.5316 73 N 5.1903 9.2739 125.7424 50.3129 39.3731 172.4549 74 P 4.4893 0.0000 0.0000 61.7134 32.7897 178.3791 75 G 4.1688 8.2310 108.7867 45.8762 0.0000 174.3281 76 A 4.2693 8.5263 119.3478 54.6202 18.3344 179.6984 77 L 3.2605 7.5952 117.2933 57.1334 41.4916 179.0895 78 S 3.9466 7.7716 113.6552 61.7744 61.9895 175.6688 79 H 4.8507 7.9889 114.9866 56.8019 28.7745 175.4543 80 Y 4.6147 7.2655 113.0655 55.8464 41.5088 175.9611 81 S 4.2225 7.6342 116.3557 57.5069 61.2942 173.5081 82 Y 4.2272 8.1349 125.9466 59.9786 37.8461 177.5204 83 A 4.0550 7.9791 122.0152 55.1873 18.6463 179.5500 84 I 3.7268 7.8723 118.3793 64.0674 37.0938 178.5702 85 R 3.8955 7.8063 119.4575 59.7839 30.0265 178.4344 86 D 4.4439 8.5421 118.5161 57.0691 40.4889 178.7524 87 A 4.0635 7.7406 120.9245 55.0700 18.5744 179.3816 88 V 3.7142 7.8906 116.7716 66.5158 31.4047 178.5458 89 S 4.2363 7.9915 113.4505 61.0840 62.7164 175.9546 90 S 4.4572 7.8205 114.9630 58.2164 63.3243 173.6897 91 I 4.7157 6.8591 116.0272 59.3215 39.8360 175.6123 92 S 4.5335 9.0153 115.0722 58.8836 63.7167 174.7312 93 L 4.4638 7.6691 121.1013 53.8533 42.5511 174.7759 94 P 4.5687 0.0000 0.0000 62.7960 32.7945 175.2020 95 V 4.8997 8.4624 122.4829 60.9981 35.3635 173.9734 96 V 4.6646 8.2948 125.8360 61.0182 34.5047 173.7937 97 E 4.7642 8.9182 129.4952 55.5098 31.1431 175.0621 98 V 4.7243 8.8734 126.4235 61.3497 35.1441 173.8404 99 H 4.7937 8.9896 123.5151 54.2102 32.5732 174.4498 100 L 4.0289 8.6408 122.9030 57.7537 42.5026 177.8902 101 S 4.5488 7.8488 111.1689 57.3620 64.3459 173.9516 102 N 4.4845 8.2313 120.1986 52.0546 37.5009 174.9791 103 L 3.7416 8.0504 125.2303 57.7637 41.8775 179.5001 104 Y 3.7635 7.2693 113.9243 59.8144 37.8141 176.3747 105 A 4.5953 7.8434 121.3938 51.7744 19.7167 177.0369 106 R 4.8760 7.5174 117.6232 55.0596 32.5130 175.4947 107 E 3.9666 8.4083 118.4039 57.3086 30.2710 177.4690 108 E 3.3991 8.8017 122.8405 59.1892 29.6909 178.9140 109 F 4.3321 7.8868 111.7103 58.7350 38.1092 175.9226 110 R 3.3937 7.1601 119.6031 57.1491 30.1266 176.5402 111 H 4.8461 8.0123 115.0276 55.7070 29.0800 174.9588 112 Q 4.6289 7.7612 117.7570 54.2583 31.3873 173.6421 113 S 4.7931 8.6614 115.0991 56.8232 64.1093 174.0482 114 V 4.0566 8.8020 120.5136 62.1327 32.0267 177.3761 115 I 4.1339 7.4861 120.8855 63.0902 37.5560 177.3596 116 A 4.0298 8.5537 121.9813 54.8147 17.8950 177.8701 117 P 4.2320 0.0000 0.0000 64.9440 31.5056 177.5037 118 V 4.1007 7.6006 108.1807 61.0353 32.4312 175.7397 119 A 4.4556 7.3614 123.2451 50.8729 19.6473 177.6636 120 K 4.0894 8.9663 119.2882 59.4858 32.6746 177.9331 121 G 3.9348 7.3475 103.5984 46.7347 0.0000 171.6943 122 Q 5.1687 8.5487 119.4234 54.8132 32.4920 174.9342 123 I 4.5704 8.6915 125.5509 59.4829 40.4983 174.5586 124 V 4.6250 8.5624 126.4446 62.3196 33.8549 175.8021 125 G 3.9375 9.0021 115.7439 45.5300 0.0000 173.5616 126 L 4.4146 7.6676 118.3305 54.0030 42.3273 178.5749 127 G 3.8047 8.0352 109.1707 45.7079 0.0000 174.8376 128 A 4.2169 8.4994 119.2504 54.8436 18.2493 179.4201 129 E 3.9958 8.3328 117.7982 59.0950 29.6421 178.8132 130 G 3.5607 8.2952 106.2473 47.9785 0.0000 175.2861 131 Y 4.0966 7.9531 118.8654 60.8025 37.8006 178.6610 132 K 3.6973 7.9219 119.0018 59.2757 32.1589 179.2040 133 L 3.9670 8.2117 119.4466 57.6931 41.5019 179.5503 134 A 3.9887 8.1179 120.7226 55.0586 18.4108 179.5633 135 V 3.4063 8.1124 117.2243 66.4738 31.2948 178.4971 136 R 4.0503 8.1329 116.5144 59.3119 30.3339 178.0275 137 Y 4.2563 8.1503 119.2938 60.8710 38.7723 178.1942 138 L 3.6684 7.8973 119.7274 57.7016 41.3467 179.4881 139 L 4.2300 7.6280 118.1992 57.7489 41.6714 179.0593 140 S 4.3483 7.4387 110.0135 59.2641 62.9360 174.2494 141 Q 4.0350 7.8171 127.3370 56.3822 28.5799 175.4617 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 P 0.00 4.29 0.00 1.64 1.82 0.00 3.45 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 1.96 2.02 0.00 2 H 7.66 5.55 0.00 3.08 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.90 5.61 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.28 4.49 0.00 0.77 1.16 0.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.48 4.70 1.64 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 0.55 0.43 1.02 0.00 0.00 6 L 9.04 5.16 0.00 1.69 1.57 0.97 0.76 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 7 N 9.26 5.49 0.00 2.64 2.69 0.00 0.00 6.41 8.11 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 8 G 9.06 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.94 0.00 2.20 2.08 0.00 3.60 0.00 0.00 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 10 N 8.78 4.45 0.00 2.82 3.03 0.00 0.00 6.46 7.56 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 11 V 7.63 3.66 2.20 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 1.03 0.00 0.00 1.04 0.00 0.00 12 N 8.26 4.24 0.00 2.83 3.05 0.00 0.00 6.01 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 13 R 8.03 4.30 0.00 1.95 1.97 0.00 3.30 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 14 L 7.81 3.99 0.00 1.88 1.64 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.24 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 16 S 7.63 4.23 0.00 3.88 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.39 4.33 0.00 1.77 1.90 0.00 3.35 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 *23 G 7.42 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 24 R 8.73 4.22 0.00 1.84 1.85 0.00 3.27 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 25 Q 7.87 4.41 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 26 T 7.96 5.14 4.20 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 1.19 0.00 0.00 27 L 8.21 3.87 0.00 1.73 1.64 0.82 0.71 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 28 T 7.74 3.69 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 1.14 0.00 0.00 29 D 8.05 4.32 0.00 2.83 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 30 I 7.69 3.62 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.64 0.00 0.00 31 E 8.04 3.38 0.00 1.59 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 1.56 1.47 0.00 32 T 7.91 3.79 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 1.25 0.00 0.00 33 D 8.07 4.40 0.00 2.91 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 34 L 8.28 4.31 0.00 2.02 1.97 0.92 0.96 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 *35 F 8.66 4.36 0.00 2.24 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 0.00 0.00 0.00 0.00 36 Q 8.45 4.23 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 37 F 8.90 4.24 0.00 3.18 3.27 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 38 A 8.94 3.81 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 39 E 8.53 3.89 0.00 2.11 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 2.33 2.21 0.00 40 A 7.53 4.01 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 41 L 6.84 4.24 0.00 1.65 1.53 0.92 1.01 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 42 H 8.26 4.32 0.00 3.20 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.74 4.73 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.97 0.00 0.00 44 Q 9.22 4.44 0.00 1.68 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 45 L 8.24 5.30 0.00 1.32 0.95 1.05 0.97 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 46 T 8.56 4.74 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 47 F 8.97 5.36 0.00 2.91 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 48 F 9.15 5.05 0.00 3.11 2.88 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 0.00 0.00 0.00 49 Q 7.76 5.29 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 50 S 8.02 4.54 0.00 3.67 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 51 N 8.95 4.63 0.00 2.77 2.78 0.00 0.00 6.87 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 52 H 8.28 4.79 0.00 3.40 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.16 3.99 0.00 1.99 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 2.36 2.33 0.00 54 G 8.17 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 55 D 8.18 4.49 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.96 4.14 0.00 1.71 1.75 0.92 1.05 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 57 I 7.72 3.67 1.85 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 1.01 0.78 0.00 0.00 58 D 8.18 4.34 0.00 2.88 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 59 A 8.19 3.97 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 60 I 7.56 3.70 1.84 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 1.54 0.67 0.95 0.00 0.00 61 H 8.19 4.45 0.00 3.32 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.45 3.90 0.00 2.03 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 2.32 2.38 0.00 63 A 8.09 4.20 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 64 E 7.64 3.94 0.00 1.99 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 2.34 2.42 0.00 65 E 7.39 4.51 0.00 2.03 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 2.25 2.20 0.00 66 Q 7.58 4.10 0.00 1.61 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.74 0.00 67 Y 8.02 4.91 0.00 2.96 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 68 S 8.78 4.79 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.93 4.27 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 0.00 70 I 8.59 5.10 1.87 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 1.10 1.28 0.94 0.00 0.00 71 V 8.93 4.52 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 1.00 0.00 0.00 0.87 0.00 0.00 72 L 9.04 5.07 0.00 1.72 1.44 0.98 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.27 5.19 0.00 2.71 2.94 0.00 0.00 6.81 7.10 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 74 P 0.00 4.49 0.00 2.17 2.20 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 75 G 8.23 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 76 A 8.53 4.27 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 77 L 7.60 3.26 0.00 1.68 1.42 0.82 0.20 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 78 S 7.77 3.95 0.00 3.88 3.29 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 79 H 7.99 4.85 0.00 3.53 3.67 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.27 4.61 0.00 2.90 2.88 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 0.00 0.00 0.00 81 S 7.63 4.22 0.00 3.51 3.58 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 82 Y 8.13 4.23 0.00 3.15 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 83 A 7.98 4.06 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 84 I 7.87 3.73 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.88 0.00 0.00 85 R 7.81 3.90 0.00 1.94 2.26 0.00 3.45 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 86 D 8.54 4.44 0.00 2.77 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 87 A 7.74 4.06 1.35 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 88 V 7.89 3.71 2.21 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 1.04 0.00 0.00 0.94 0.00 0.00 89 S 7.99 4.24 0.00 4.10 3.94 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 90 S 7.82 4.46 0.00 4.06 4.14 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 91 I 6.86 4.72 2.07 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 1.49 0.76 1.10 0.00 0.00 92 S 9.02 4.53 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 93 L 7.67 4.46 0.00 1.61 1.72 1.06 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.57 0.00 2.18 2.24 0.00 3.81 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 2.16 1.99 0.00 95 V 8.46 4.90 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 1.05 0.00 0.00 0.95 0.00 0.00 96 V 8.29 4.66 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 0.73 0.00 0.00 0.90 0.00 0.00 97 E 8.92 4.76 0.00 2.05 1.74 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 2.17 2.27 0.00 98 V 8.87 4.72 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.72 0.00 0.00 99 H 8.99 4.79 0.00 2.92 3.01 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.64 4.03 0.00 1.63 1.69 0.96 0.94 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 0.00 101 S 7.85 4.55 0.00 3.92 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 0.00 102 N 8.23 4.48 0.00 2.71 2.72 0.00 0.00 6.87 6.66 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 0.00 103 L 8.05 3.74 0.00 0.91 1.45 0.56 0.68 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 0.00 104 Y 7.27 3.76 0.00 3.02 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 0.00 105 A 7.84 4.60 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 0.00 106 R 7.52 4.88 0.00 1.75 1.70 0.00 3.10 0.00 0.00 3.09 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 107 E 8.41 3.97 0.00 1.44 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 2.49 2.34 0.00 108 E 8.80 3.40 0.00 1.91 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 2.31 2.22 0.00 109 F 7.89 4.33 0.00 3.05 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 0.00 110 R 7.16 3.39 0.00 1.49 1.62 0.00 2.80 0.00 0.00 2.97 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 111 H 8.01 4.85 0.00 3.15 3.51 0.00 5.62 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 0.00 112 Q 7.76 4.63 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 113 S 8.66 4.79 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.80 4.06 1.74 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 0.40 0.00 0.00 0.53 0.00 0.00 115 I 7.49 4.13 1.98 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 1.52 0.51 0.89 0.00 0.00 116 A 8.55 4.03 1.35 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 0.00 117 P 0.00 4.23 0.00 2.07 2.16 0.00 3.78 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 2.08 2.21 0.00 118 V 7.60 4.10 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 0.70 0.00 0.00 1.00 0.00 0.00 119 A 7.36 4.46 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 0.00 120 K 8.97 4.09 0.00 1.84 1.89 0.00 2.00 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.73 7.81 121 G 7.35 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 0.00 0.00 0.00 122 Q 8.55 5.17 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 123 I 8.69 4.57 1.75 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 1.03 0.56 0.84 0.00 0.00 124 V 8.56 4.62 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 0.54 0.00 0.00 0.89 0.00 0.00 125 G 9.00 3.94 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 0.00 126 L 7.67 4.41 0.00 1.60 1.65 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.04 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.50 4.22 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 0.00 129 E 8.33 4.00 0.00 2.07 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 0.00 2.35 2.39 0.00 130 G 8.30 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 0.00 0.00 0.00 131 Y 7.95 4.10 0.00 3.21 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 0.00 132 K 7.92 3.70 0.00 1.59 0.97 0.00 1.41 0.00 0.00 1.20 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.17 7.81 133 L 8.21 3.97 0.00 1.78 1.70 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.12 3.99 1.35 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 0.00 135 V 8.11 3.41 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.08 0.00 0.00 136 R 8.13 4.05 0.00 2.09 2.08 0.00 3.33 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.07 0.00 137 Y 8.15 4.26 0.00 3.07 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 0.00 138 L 7.90 3.67 0.00 1.71 0.85 0.91 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.63 4.23 0.00 1.92 1.80 1.03 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 140 S 7.44 4.35 0.00 3.99 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 0.00 141 Q 7.82 4.04 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 1.78 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.