NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4246 8.3144 122.0582 56.4973 33.8134 175.6796 4 C 5.0524 8.4718 124.0669 53.2155 45.2247 171.3233 5 S 4.9427 9.3997 122.3962 56.4400 64.3306 173.7395 6 L 4.0319 8.3675 124.9904 56.6315 41.8196 177.7543 7 T 3.9092 7.0810 115.3622 64.3354 68.8872 172.7271 8 G 3.6392 8.0479 111.4047 43.7434 0.0000 171.9547 9 K 5.0503 8.1198 117.9882 54.6336 34.4997 176.0890 10 W 5.5449 9.4292 125.4307 55.9663 33.8208 174.9724 11 T 5.4075 9.3069 116.2636 59.7963 72.5229 173.2138 12 N 6.0007 8.7095 119.7449 49.9949 40.2864 175.1241 13 N 4.3491 8.6951 115.2167 55.3378 37.3624 175.7234 14 L 4.2010 8.0374 117.4602 54.9701 42.0444 177.5573 15 G 3.9759 8.2197 107.8305 44.7999 0.0000 174.1620 16 S 4.5248 7.9373 115.6403 58.6342 64.5335 173.0548 17 I 5.2246 8.5076 122.8341 59.7320 40.3329 174.6250 18 M 5.0846 9.0245 122.7596 53.7213 35.1282 174.2628 19 T 4.9890 8.8163 116.7876 62.0002 71.9839 172.8512 20 I 4.6770 8.7294 127.7503 59.8508 39.8109 176.2085 21 R 4.5971 8.5294 126.4867 55.0708 32.7294 175.8770 22 A 3.9922 8.5965 122.7476 53.1781 18.9223 177.3771 23 V 4.2881 7.6555 122.4839 61.6011 32.5139 176.0830 24 N 4.8005 8.7604 125.7351 51.6986 38.9262 175.7082 25 S 4.2438 8.4305 111.6140 60.8153 63.2753 175.2850 26 R 4.0343 8.0748 118.7040 57.1179 30.3933 177.2667 27 G 4.4895 8.3806 106.5847 46.1418 0.0000 173.0491 28 E 4.7385 8.4635 120.1346 56.2326 30.8028 175.8970 29 F 5.2099 8.4546 116.9656 55.8583 41.9739 172.8923 30 T 5.0440 8.4705 113.9916 60.2948 71.6430 172.4922 31 G 3.8329 7.3986 108.8457 46.0223 0.0000 171.8538 32 T 5.2491 7.9159 108.4887 60.1297 72.9768 172.4857 33 Y 4.8282 9.1812 123.2587 56.0155 42.4251 173.5533 34 L 4.9437 9.1000 129.8594 53.4694 43.5306 175.2219 35 T 4.5944 8.9589 120.7893 61.7280 68.0967 174.5747 36 A 4.2276 8.7853 131.1467 54.0107 18.8894 178.0558 37 V 4.4398 7.2764 106.9545 59.9118 35.2844 174.3934 38 A 4.3365 7.8798 123.1029 51.1858 21.8444 176.1365 39 D 4.4403 8.6963 119.0445 56.8814 41.4840 176.1976 40 N 4.9429 7.6843 116.8605 50.0334 39.2027 172.7129 41 P 4.1286 0.0000 0.0000 65.0107 31.8893 179.7033 42 G 3.6496 8.0144 106.9056 47.6784 0.0000 173.6012 43 N 4.6270 7.8443 115.6687 53.0683 39.2539 175.5682 44 I 2.0000 6.9390 120.5684 60.9918 37.5026 175.4874 45 T 4.6897 7.3371 113.6278 59.0068 71.8818 173.1763 46 L 4.2337 8.6359 124.3814 56.3151 42.5416 176.3933 47 S 5.0806 9.1618 121.0963 56.0500 67.3958 171.7630 48 P 5.1286 0.0000 0.0000 62.5208 32.9336 174.8330 49 L 5.3336 8.6528 120.7946 54.2248 44.4072 175.0551 50 L 4.7428 8.7289 121.6050 54.0342 45.9871 175.0737 51 G 4.1179 8.1016 112.1425 45.5213 0.0000 171.2360 52 I 5.2313 8.4968 119.4800 59.5316 41.5128 175.1672 53 Q 5.4051 9.4058 124.4639 54.5112 31.8787 174.8882 54 H 4.6394 8.9192 117.4085 55.9421 29.5198 175.7638 55 K 4.4010 8.5715 121.3248 58.3983 33.2804 178.5015 56 R 4.0489 8.0236 116.1496 58.7053 30.3605 177.3467 57 A 4.1958 7.8390 120.3076 51.8077 18.8928 177.6399 58 S 4.3279 8.7961 116.8208 60.7356 63.6937 173.4054 59 Q 5.1705 7.8270 118.7154 51.9691 28.2039 173.3711 60 P 4.5112 0.0000 0.0000 62.8528 33.5153 177.2099 61 T 4.7639 8.4311 118.4426 63.7306 70.5031 173.0980 62 F 5.2953 8.1106 117.0858 56.6064 41.8829 172.9423 63 G 4.7501 9.4325 105.6982 45.1185 0.0000 171.5895 64 F 5.5321 9.0669 115.1631 55.8411 42.0900 172.9481 65 T 5.0091 9.0488 116.7946 61.8579 71.5390 173.4451 66 V 4.3529 8.7584 126.4558 61.3414 33.4744 174.1387 67 H 4.3432 8.3088 129.2965 54.4309 29.6969 174.6070 68 W 4.2819 7.3522 126.6240 56.8813 29.0454 176.4996 69 N 4.7728 9.3534 121.7822 53.7599 38.3745 175.5041 70 F 4.9949 7.4571 111.2556 56.1407 38.9880 174.1826 71 S 4.5408 7.2279 113.9233 57.2090 65.1653 173.2911 72 E 4.2272 8.5231 122.1232 56.8935 28.4306 176.9997 73 S 4.7776 7.8383 115.1919 58.2658 65.2828 173.2066 74 T 5.0067 8.8593 115.7476 62.2921 72.9779 173.3161 75 T 5.1595 8.4443 121.0076 61.8817 72.0039 173.4850 76 V 4.8806 8.6035 118.1795 59.6002 34.9211 174.6950 77 F 5.2685 8.8430 122.7796 55.9882 42.2048 174.3107 78 T 4.7519 8.8883 116.3298 60.6736 71.4537 173.8790 79 G 4.5199 6.6733 111.3286 45.9573 0.0000 171.5090 80 Q 4.7383 7.5412 118.7968 54.3596 33.0220 175.5299 81 C 5.0514 8.9740 125.9552 55.6641 46.0821 172.0825 82 F 5.3011 9.1545 125.7590 56.0121 41.2415 174.8647 83 I 5.1222 8.9843 124.0808 59.7221 39.1490 175.8102 84 D 4.7997 8.9806 127.9781 51.8112 41.1654 177.2418 85 R 3.9536 8.5062 114.6183 58.7424 29.3313 176.9314 86 N 4.6354 8.5594 114.6611 52.7903 38.8019 175.8045 87 G 3.9349 8.3376 106.8355 45.2120 0.0000 173.8268 88 K 4.1948 8.0323 121.3088 55.9748 32.9545 175.0381 89 E 5.3932 8.6931 124.7803 54.8777 32.2699 174.9410 90 V 4.9713 8.9301 122.7946 61.2868 35.4297 173.9960 91 L 5.0277 9.1195 127.8938 53.5877 43.3883 175.5905 92 K 5.0917 9.0532 124.9916 55.3784 33.7216 176.0115 93 T 5.3657 9.2844 114.9679 60.2964 72.6789 172.7985 94 M 5.4869 9.1465 121.6229 53.4894 36.6815 174.4347 95 W 5.4953 8.5185 116.9819 54.8456 32.4447 173.7038 96 L 5.3384 8.8674 120.5225 52.9496 44.7189 175.1983 97 L 4.9655 9.4107 126.3635 53.4269 44.4410 174.8817 98 R 4.8985 9.0566 128.5943 55.1661 31.2787 175.8112 99 S 4.7471 8.9364 123.5133 57.9036 64.2537 173.9502 100 S 4.3560 8.4403 117.1721 57.5809 62.7753 173.9050 101 V 4.3811 7.9070 119.9774 59.1853 34.5111 175.5921 102 N 4.4496 8.3536 118.5783 56.2659 38.7092 174.8230 103 D 4.7042 7.7107 115.3308 51.0144 42.3822 175.6540 104 I 3.8559 8.3709 118.3034 63.7669 37.5578 177.4888 105 S 4.2558 8.3303 114.3512 60.7592 63.1036 174.9362 106 Y 4.5393 7.9698 118.9691 57.9506 38.1065 176.6164 107 D 4.3822 8.1363 121.0737 57.0745 41.0179 178.0342 108 W 4.3294 8.4150 115.6095 58.7752 28.0302 176.5791 109 K 3.7781 6.5869 115.1469 56.1906 32.1538 176.6188 110 A 4.2515 7.7527 122.2569 52.8786 19.1722 176.8849 111 T 5.0913 7.5759 112.5382 61.7926 71.1195 173.8614 112 R 4.7944 9.1334 126.4340 54.7958 32.6584 175.9636 113 V 4.4566 7.7006 119.8553 60.3526 34.8472 175.0009 114 G 3.1313 6.2101 107.0560 45.7910 0.0000 171.3312 115 Y 5.5039 8.1431 116.7663 55.5903 41.5492 174.6504 116 N 5.2495 9.5360 115.8181 52.3536 44.0060 173.2382 117 N 5.7778 9.4667 120.0952 51.7038 41.4169 173.7140 118 F 5.6625 9.6734 122.5550 55.9939 42.3669 174.5899 119 T 5.4881 9.1079 111.7995 59.7344 72.5828 173.5517 120 R 3.7953 8.4127 121.0708 55.6380 30.8459 176.9567 121 L 3.8233 8.3365 127.1943 58.7275 42.3452 177.8888 *122 S 4.2143 7.6871 117.4244 58.2263 62.9106 175.1239 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 3 K 8.31 4.42 0.00 1.78 1.80 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.53 7.81 4 C 8.47 5.05 0.00 3.29 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 5 S 9.40 4.94 0.00 3.88 3.69 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 6 L 8.37 4.03 0.00 0.85 0.83 0.31 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.08 3.91 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 1.17 0.00 0.00 8 G 8.05 3.64 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 0.00 0.00 0.00 9 K 8.12 5.05 0.00 1.57 1.64 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.36 7.81 10 W 9.43 5.54 0.00 3.19 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 11 T 9.31 5.41 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 12 N 8.71 6.00 0.00 2.22 1.42 0.00 0.00 6.64 6.24 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 13 N 8.70 4.35 0.00 2.90 3.07 0.00 0.00 5.95 7.79 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 14 L 8.04 4.20 0.00 1.80 1.75 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.22 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.94 4.52 0.00 3.94 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 I 8.51 5.22 1.83 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 1.28 0.71 0.89 0.00 0.00 18 M 9.02 5.08 0.00 1.46 2.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 19 T 8.82 4.99 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 1.18 0.00 0.00 20 I 8.73 4.68 1.92 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 0.94 0.56 0.51 0.00 0.00 21 R 8.53 4.60 0.00 1.69 1.90 0.00 3.17 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 22 A 8.60 3.99 1.24 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 0.00 0.00 0.00 23 V 7.66 4.29 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 0.91 0.00 0.00 0.85 0.00 0.00 24 N 8.76 4.80 0.00 3.00 2.98 0.00 0.00 6.32 7.17 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 25 S 8.43 4.24 0.00 4.01 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 26 R 8.07 4.03 0.00 1.99 2.01 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 27 G 8.38 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 4.74 0.00 2.03 1.79 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 2.26 2.23 0.00 29 F 8.45 5.21 0.00 3.01 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 30 T 8.47 5.04 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 G 7.40 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 32 T 7.92 5.25 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 1.23 0.00 0.00 33 Y 9.18 4.83 0.00 2.94 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 34 L 9.10 4.94 0.00 1.78 1.55 0.98 0.55 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 35 T 8.96 4.59 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 36 A 8.79 4.23 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 37 V 7.28 4.44 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 0.70 0.00 0.00 0.87 0.00 0.00 38 A 7.88 4.34 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.70 4.44 0.00 2.56 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 40 N 7.68 4.94 0.00 2.77 2.68 0.00 0.00 6.89 8.03 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 41 P 0.00 4.13 0.00 2.14 2.24 0.00 3.66 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 2.02 1.92 0.00 42 G 8.01 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.84 4.63 0.00 2.89 2.95 0.00 0.00 6.99 6.97 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 44 I 6.94 2.00 1.56 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.02 0.76 0.00 0.00 45 T 7.34 4.69 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 1.28 0.00 0.00 46 L 8.64 4.23 0.00 1.73 1.72 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.16 5.08 0.00 3.96 3.88 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 48 P 0.00 5.13 0.00 2.07 2.15 0.00 3.94 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 49 L 8.65 5.33 0.00 1.90 1.73 0.82 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.73 4.74 0.00 1.68 1.41 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.10 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.50 5.23 1.86 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 1.18 0.77 0.90 0.00 0.00 53 Q 9.41 5.41 0.00 2.23 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 54 H 8.92 4.64 0.00 3.21 3.32 0.00 5.83 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 55 K 8.57 4.40 0.00 1.77 1.87 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.56 7.81 56 R 8.02 4.05 0.00 1.83 2.01 0.00 3.23 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 A 7.84 4.20 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 58 S 8.80 4.33 0.00 4.05 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 0.00 59 Q 7.83 5.17 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 7.02 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 60 P 0.00 4.51 0.00 2.23 2.35 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 61 T 8.43 4.76 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 1.21 0.00 0.00 62 F 8.11 5.30 0.00 3.50 3.25 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 63 G 9.43 4.75 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 0.00 0.00 0.00 64 F 9.07 5.53 0.00 3.18 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 65 T 9.05 5.01 4.23 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 1.16 0.00 0.00 66 V 8.76 4.35 1.13 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 -0.61 0.00 0.00 0.76 0.00 0.00 67 H 8.31 4.34 0.00 3.12 3.10 0.00 6.01 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 7.35 4.28 0.00 2.90 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 69 N 9.35 4.77 0.00 2.92 3.01 0.00 0.00 6.82 7.19 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 70 F 7.46 4.99 0.00 3.17 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.23 4.54 0.00 3.34 3.24 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 0.00 72 E 8.52 4.23 0.00 1.95 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 2.26 2.20 0.00 73 S 7.84 4.78 0.00 4.08 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 74 T 8.86 5.01 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 1.15 0.00 0.00 75 T 8.44 5.16 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 0.69 0.00 0.00 76 V 8.60 4.88 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 0.70 0.00 0.00 0.90 0.00 0.00 77 F 8.84 5.27 0.00 1.51 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 78 T 8.89 4.75 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 1.15 0.00 0.00 79 G 6.67 4.52 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 80 Q 7.54 4.74 0.00 1.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.90 0.00 0.00 0.00 0.00 0.00 1.35 2.15 0.00 81 C 8.97 5.05 0.00 3.05 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 82 F 9.15 5.30 0.00 3.11 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 83 I 8.98 5.12 1.96 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 1.37 0.68 0.97 0.00 0.00 84 D 8.98 4.80 0.00 2.92 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 85 R 8.51 3.95 0.00 1.96 2.13 0.00 3.03 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 86 N 8.56 4.64 0.00 2.86 2.89 0.00 0.00 7.08 7.24 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 87 G 8.34 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 88 K 8.03 4.19 0.00 1.84 2.08 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.51 7.81 89 E 8.69 5.39 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 90 V 8.93 4.97 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.10 0.00 0.00 91 L 9.12 5.03 0.00 1.71 1.69 -0.81 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.05 5.09 0.00 2.01 1.95 0.00 1.97 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.78 1.83 7.81 93 T 9.28 5.37 4.74 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 1.64 0.00 0.00 94 M 9.15 5.49 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 95 W 8.52 5.50 0.00 2.67 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 0.00 0.00 0.00 96 L 8.87 5.34 0.00 1.60 1.60 0.91 0.37 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 97 L 9.41 4.97 0.00 1.66 1.78 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 98 R 9.06 4.90 0.00 1.94 1.91 0.00 3.35 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 99 S 8.94 4.75 0.00 3.68 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.44 4.36 0.00 3.79 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 0.00 101 V 7.91 4.38 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 0.69 0.00 0.00 1.00 0.00 0.00 102 N 8.35 4.45 0.00 2.61 2.86 0.00 0.00 6.70 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 0.00 103 D 7.71 4.70 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 0.00 104 I 8.37 3.86 1.91 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 1.74 1.36 0.94 0.00 0.00 105 S 8.33 4.26 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 0.00 106 Y 7.97 4.54 0.00 3.11 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 0.00 107 D 8.14 4.38 0.00 2.89 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.42 4.33 0.00 3.63 3.24 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 0.00 109 K 6.59 3.78 0.00 1.04 0.74 0.00 1.14 0.00 0.00 1.13 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.88 0.93 7.81 110 A 7.75 4.25 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 0.00 111 T 7.58 5.09 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 1.22 0.00 0.00 112 R 9.13 4.79 0.00 1.94 2.06 0.00 3.17 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 113 V 7.70 4.46 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 0.57 0.00 0.00 0.75 0.00 0.00 114 G 6.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.14 5.50 0.00 3.05 2.80 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 0.00 116 N 9.54 5.25 0.00 3.20 2.52 0.00 0.00 7.22 6.53 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 0.00 117 N 9.47 5.78 0.00 2.79 2.89 0.00 0.00 6.72 7.54 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 0.00 118 F 9.67 5.66 0.00 2.76 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 0.00 119 T 9.11 5.49 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 120 R 8.41 3.80 0.00 1.52 1.47 0.00 2.87 0.00 0.00 2.64 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.69 0.00 121 L 8.34 3.82 0.00 1.52 1.57 0.90 0.75 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 *122 S 7.69 4.21 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 * Residues marked with a * may have inaccurate shift predictions.