NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7571 8.3544 109.7355 45.3672 0.0000 173.1336 *2 S 4.2046 8.2770 116.8773 58.4577 63.1689 174.6390 3 V 4.4077 8.1297 116.9338 60.6877 32.2478 176.3385 4 K 3.7916 7.6768 121.7993 56.7203 32.3264 176.1812 5 V 3.8651 8.3881 126.3558 62.5293 32.3395 175.6302 6 S 4.8867 8.2980 121.4478 56.2750 66.9734 175.3140 7 V 3.6157 8.2476 122.0785 65.9495 31.2723 177.9638 8 D 4.3160 8.0357 117.5816 57.4622 41.1457 177.8463 9 D 4.5600 8.0481 118.9022 57.4040 40.7997 178.4976 10 I 3.5115 7.6326 120.3795 64.7983 37.0956 178.1797 11 D 4.3986 8.3537 119.5676 57.0647 40.7329 179.0091 12 G 3.7375 8.0434 106.2917 47.9945 0.0000 175.8512 13 I 3.5101 7.5258 122.7238 64.1829 37.0352 178.5066 14 T 3.7431 7.8871 116.7121 66.7216 68.3035 176.1961 15 E 3.9191 8.2614 121.4304 59.2104 29.5224 179.2721 16 V 3.6562 7.6773 118.9240 64.6765 31.3704 178.3871 17 L 3.8217 7.8973 118.8977 57.1893 41.4086 178.8500 18 N 4.4803 7.9392 116.3487 56.1768 38.3984 177.1762 19 V 3.7670 7.6632 119.5417 65.8579 31.4526 176.3017 20 Y 4.4863 7.4472 118.0895 58.2909 38.7587 176.4564 *22 N 4.5192 8.1047 117.4962 52.7736 40.9070 176.6533 23 A 4.0291 7.6500 119.1183 55.0317 18.3556 179.4217 24 A 3.4710 7.6607 119.2971 54.9256 18.0027 179.1394 25 E 4.0912 7.5669 115.7815 58.0699 30.0551 177.0664 26 S 4.4066 7.9965 110.8709 58.4406 66.6146 174.3719 27 G 4.2615 8.0459 108.2295 43.6657 0.0000 172.7228 28 T 4.3979 8.2020 110.2743 59.9511 70.4033 175.1511 29 G 3.8870 9.0492 112.9345 49.3189 0.0000 175.8192 30 E 3.9516 8.1540 115.1844 58.7994 29.5372 180.8949 31 E 4.2737 7.9281 118.9339 56.5427 29.0880 178.7678 *33 S 4.7768 8.4070 113.4273 57.9979 64.7389 175.1797 34 A 4.0349 7.7174 122.2182 54.4299 18.3498 177.6844 35 A 4.4989 8.1691 116.2625 52.0686 20.1435 176.6207 36 F 5.3805 8.1699 114.0930 55.2641 42.0815 175.0730 37 H 4.3193 9.5543 124.9851 56.8778 30.5482 177.0422 38 K 4.0990 8.5285 123.7872 57.3417 31.6277 178.8081 39 D 5.0436 8.1184 117.5433 53.8009 41.4566 176.4549 40 A 5.3041 7.9771 120.3977 52.1501 19.4516 177.3370 41 T 4.8928 8.2851 108.2138 60.3695 73.4426 172.4535 42 I 5.3446 8.1288 120.1992 60.7413 42.0447 173.1375 43 F 5.6727 8.2100 126.9180 54.3865 43.1472 174.2814 44 G 3.2747 7.8732 107.8270 45.8814 0.0000 171.4449 45 Y 4.8944 8.2823 120.5773 56.5056 39.6655 175.9437 46 V 4.2448 8.5359 123.6427 61.7194 32.8161 176.8051 47 G 4.0259 8.3037 119.3301 46.5968 0.0000 173.9515 48 D 4.5087 8.7166 122.9998 54.9635 41.6314 176.3317 49 K 4.3303 8.0147 123.4280 56.2624 33.2374 176.7036 50 L 4.3059 8.0050 126.4539 52.2666 39.2545 175.1314 51 A 3.8472 7.8497 126.7306 53.6478 19.1519 178.0319 52 F 4.5818 8.0041 114.9390 55.7809 40.9107 175.2421 53 N 4.6714 8.9340 125.7847 50.5991 37.1203 173.3680 54 G 3.1279 6.3530 112.1694 45.0471 0.0000 172.1808 55 P 4.3038 0.0000 0.0000 62.1618 32.4466 177.5631 56 I 3.5310 8.2344 122.8012 62.6556 38.6611 177.3192 57 K 3.8524 8.0789 121.0249 60.1240 31.8576 178.0367 58 D 4.4337 7.7619 118.4127 56.9263 40.7481 178.6042 59 L 4.0103 7.5456 121.0917 58.5018 41.7251 178.7010 60 Y 4.5418 7.2917 116.1777 61.2450 37.9005 178.0271 61 D 4.4923 8.4120 120.1129 57.1077 40.9717 178.5920 62 W 4.2432 8.4963 128.8946 60.4422 30.3429 177.2101 63 H 4.2546 8.6154 117.0707 57.8870 29.1453 176.8443 64 N 4.4236 7.7008 119.7979 56.9009 38.7855 177.8548 65 S 4.2285 7.6382 118.4412 63.4997 62.5764 177.5991 66 N 4.4466 7.5568 119.7224 53.4627 38.7224 176.0010 67 G 3.8835 7.0713 105.2161 43.8701 0.0000 171.1702 68 P 4.1920 0.0000 0.0000 62.6499 31.9211 177.3141 69 A 4.4734 8.2061 127.9916 50.5151 17.7962 178.2414 70 K 3.8844 8.2547 122.8607 57.1870 32.1218 177.6908 71 N 4.8705 7.9369 113.3474 53.0282 38.6720 174.9769 72 V 4.2894 7.4901 119.2918 61.6145 32.7190 175.6678 73 Q 4.7270 9.0932 123.3700 54.2488 31.0111 174.5683 74 S 5.5348 8.7200 118.6427 56.5940 66.0074 173.7916 75 R 4.7573 9.0181 120.5491 54.6007 34.4556 174.2640 76 I 4.7134 8.5295 124.4785 61.3336 37.5247 175.7231 77 T 4.6270 8.6884 115.8197 61.5644 70.7117 173.7621 78 N 4.9066 7.8244 120.4833 52.6441 42.7130 173.2326 79 I 4.7159 8.2883 125.9278 59.9922 40.4138 173.9608 80 D 4.7510 9.1902 128.9814 52.7488 42.4577 174.8442 81 I 4.7352 8.2755 127.1075 59.4726 39.2987 177.0278 82 V 4.3102 8.6043 125.5375 59.4117 31.0553 175.1068 83 G 4.0479 8.4328 118.6400 45.3447 0.0000 170.9420 84 T 4.4256 8.0921 107.5773 60.6643 71.5446 174.2615 85 V 5.3040 7.8405 113.7340 60.5233 36.8605 173.6530 86 A 4.9023 8.5304 120.7730 51.8980 23.0166 174.7946 87 H 5.9005 9.2737 118.7077 53.8452 33.5079 172.6328 88 A 5.0288 8.0580 123.2502 50.6435 22.7883 174.9473 89 R 5.2473 8.9550 121.6558 54.6974 33.5569 174.8892 90 V 5.1387 8.8706 123.6298 61.5254 35.5632 173.3329 91 E 5.1833 9.6298 127.3106 54.6649 31.7720 174.7594 92 A 5.4600 9.0723 125.8168 50.3436 22.5134 174.8849 93 E 4.7941 8.8342 119.1689 54.8538 34.3390 175.1816 94 N 4.3784 8.9467 118.0786 54.4310 37.7776 175.4924 95 W 4.4945 8.3704 127.6225 57.6235 29.3575 175.4137 96 T 3.3400 9.3040 118.4554 62.3996 67.1695 173.6349 97 N 4.4327 8.0640 115.1874 54.3081 37.6356 174.9827 98 F 4.7941 7.6138 117.4557 56.2926 41.5050 174.9046 99 K 4.7148 8.2969 121.5452 55.0431 34.6409 174.6904 100 F 5.5252 8.8694 126.3470 55.9463 42.4063 175.0304 101 S 5.2196 8.9451 116.8576 57.0480 65.8205 172.7149 102 D 5.2644 9.4263 125.3760 52.4691 43.3109 175.3166 103 L 5.1651 8.5410 123.2995 52.9333 44.8146 175.5809 104 F 5.5177 9.0768 120.8478 55.6886 43.4454 173.8174 105 L 5.3768 9.0355 121.2873 53.1210 44.9026 175.6362 106 L 5.4413 9.2220 121.9724 52.9350 46.5835 175.1411 107 L 5.0120 9.1378 122.5512 53.2948 45.2610 176.0797 108 K 3.9133 8.0061 128.4676 55.6761 30.4846 174.2645 109 L 4.0163 8.7548 128.7370 54.8405 41.8673 177.1639 110 D 4.5374 9.4890 127.3734 54.2923 36.8769 171.6744 111 G 3.9315 8.5868 108.1555 45.3710 0.0000 173.6239 112 K 4.5821 7.4051 120.7740 54.0343 35.4312 175.4435 113 W 4.8126 8.9049 127.0931 57.2471 30.0087 175.4235 114 T 4.7215 8.8277 117.0942 60.5790 71.1155 172.6747 115 I 4.2873 8.4200 128.6335 61.6894 37.7692 176.9104 116 V 4.3532 8.9607 119.8114 62.1063 34.2612 175.7230 117 N 5.5582 8.1846 116.0681 51.3094 42.9708 173.6620 118 K 4.9800 8.7512 122.7361 55.0246 36.0665 175.3661 119 V 5.3794 8.7444 118.9689 58.9461 36.2713 174.2116 120 F 5.9132 7.9908 116.3563 55.4932 41.4250 172.8860 121 H 4.8291 8.9374 119.3878 54.1799 32.4198 172.2252 122 L 4.3804 8.6602 128.6949 54.8178 42.4636 176.0191 123 H 4.3523 8.8398 124.9167 55.4053 29.3740 175.8143 124 A 4.1512 8.5798 124.8195 52.5221 18.2727 177.0584 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 G 8.35 3.76 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 0.00 0.00 0.00 *2 S 8.28 4.20 0.00 3.91 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 3 V 8.13 4.41 2.12 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 0.78 0.00 0.00 0.95 0.00 0.00 4 K 7.68 3.79 0.00 1.77 1.77 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.41 7.81 5 V 8.39 3.87 2.08 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 0.86 0.00 0.00 1.02 0.00 0.00 6 S 8.30 4.89 0.00 4.07 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 7 V 8.25 3.62 2.08 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 1.09 0.00 0.00 0.93 0.00 0.00 8 D 8.04 4.32 0.00 2.86 2.70 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 9 D 8.05 4.56 0.00 2.97 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 10 I 7.63 3.51 2.00 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 1.44 0.65 0.85 0.00 0.00 11 D 8.35 4.40 0.00 2.90 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 12 G 8.04 3.74 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 0.00 0.00 0.00 13 I 7.53 3.51 1.58 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.36 0.60 0.00 0.00 14 T 7.89 3.74 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 1.17 0.00 0.00 15 E 8.26 3.92 0.00 2.18 2.14 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 2.30 2.31 0.00 16 V 7.68 3.66 2.08 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 0.77 0.00 0.00 0.82 0.00 0.00 17 L 7.90 3.82 0.00 1.71 1.66 0.74 0.61 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 18 N 7.94 4.48 0.00 2.83 2.85 0.00 0.00 6.93 7.27 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 19 V 7.66 3.77 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 1.03 0.00 0.00 0.98 0.00 0.00 20 Y 7.45 4.49 0.00 2.99 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 *22 N 8.10 4.52 0.00 2.84 2.84 0.00 0.00 6.91 7.26 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 23 A 7.65 4.03 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 24 A 7.66 3.47 0.30 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 0.00 0.00 25 E 7.57 4.09 0.00 1.76 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 2.16 2.42 0.00 26 S 8.00 4.41 0.00 3.79 3.76 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 27 G 8.05 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 28 T 8.20 4.40 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 29 G 9.05 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 0.00 0.00 0.00 30 E 8.15 3.95 0.00 2.00 1.88 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 2.23 1.90 0.00 31 E 7.93 4.27 0.00 2.16 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 2.32 2.24 0.00 *33 S 8.41 4.78 0.00 3.56 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 34 A 7.72 4.03 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 35 A 8.17 4.50 1.17 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 36 F 8.17 5.38 0.00 3.23 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 37 H 9.55 4.32 0.00 3.27 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.53 4.10 0.00 1.81 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.04 7.81 39 D 8.12 5.04 0.00 2.76 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 40 A 7.98 5.30 1.49 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 41 T 8.29 4.89 4.38 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 0.00 0.00 0.00 1.28 0.00 0.00 42 I 8.13 5.34 1.69 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.53 0.79 0.00 0.00 43 F 8.21 5.67 0.00 2.87 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 44 G 7.87 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 0.00 0.00 0.00 45 Y 8.28 4.89 0.00 2.77 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 46 V 8.54 4.24 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 0.80 0.00 0.00 1.03 0.00 0.00 47 G 8.30 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 48 D 8.72 4.51 0.00 2.70 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 49 K 8.01 4.33 0.00 1.81 1.68 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 50 L 8.01 4.31 0.00 1.70 1.47 0.92 0.76 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 51 A 7.85 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.00 4.58 0.00 3.09 2.91 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 53 N 8.93 4.67 0.00 2.66 2.66 0.00 0.00 6.31 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 54 G 6.35 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 55 P 0.00 4.30 0.00 2.09 1.95 0.00 3.40 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 56 I 8.23 3.53 1.80 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.17 0.87 0.00 0.00 57 K 8.08 3.85 0.00 1.87 1.78 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.63 7.81 58 D 7.76 4.43 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.01 0.00 1.43 1.22 0.80 0.59 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 60 Y 7.29 4.54 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 61 D 8.41 4.49 0.00 2.82 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 62 W 8.50 4.24 0.00 3.61 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.62 4.25 0.00 3.79 3.66 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 7.70 4.42 0.00 2.96 2.86 0.00 0.00 6.85 7.23 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 65 S 7.64 4.23 0.00 3.74 3.78 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 0.00 0.00 0.00 66 N 7.56 4.45 0.00 1.78 2.04 0.00 0.00 7.40 7.34 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 67 G 7.07 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 0.00 0.00 0.00 68 P 0.00 4.19 0.00 1.98 2.00 0.00 3.58 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 2.00 0.00 69 A 8.21 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.25 3.88 0.00 1.79 1.76 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.05 7.81 71 N 7.94 4.87 0.00 2.70 2.85 0.00 0.00 6.94 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 72 V 7.49 4.29 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 0.45 0.00 0.00 1.01 0.00 0.00 73 Q 9.09 4.73 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 74 S 8.72 5.53 0.00 3.93 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 75 R 9.02 4.76 0.00 1.74 1.83 0.00 3.30 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 76 I 8.53 4.71 1.87 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 1.41 0.50 0.93 0.00 0.00 77 T 8.69 4.63 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 1.26 0.00 0.00 78 N 7.82 4.91 0.00 2.81 2.65 0.00 0.00 6.95 7.82 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 79 I 8.29 4.72 1.79 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 1.10 0.69 0.71 0.00 0.00 80 D 9.19 4.75 0.00 2.81 2.59 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 81 I 8.28 4.74 1.84 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 1.06 0.62 0.95 0.00 0.00 82 V 8.60 4.31 2.12 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 0.90 0.00 0.00 0.97 0.00 0.00 83 G 8.43 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 0.00 0.00 0.00 84 T 8.09 4.43 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 1.14 0.00 0.00 85 V 7.84 5.30 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 0.85 0.00 0.00 1.02 0.00 0.00 86 A 8.53 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 9.27 5.90 0.00 3.24 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.06 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.96 5.25 0.00 1.93 1.80 0.00 3.12 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 90 V 8.87 5.14 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 1.24 0.00 0.00 1.12 0.00 0.00 91 E 9.63 5.18 0.00 1.96 1.92 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 2.33 2.45 0.00 92 A 9.07 5.46 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 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.83 4.79 0.00 1.96 1.85 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 2.25 2.29 0.00 94 N 8.95 4.38 0.00 2.84 3.08 0.00 0.00 6.99 7.95 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 95 W 8.37 4.49 0.00 3.84 3.45 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 96 T 9.30 3.34 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 1.37 0.00 0.00 97 N 8.06 4.43 0.00 2.55 2.90 0.00 0.00 6.81 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 98 F 7.61 4.79 0.00 3.09 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 0.00 0.00 0.00 99 K 8.30 4.71 0.00 1.79 1.61 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.42 7.81 100 F 8.87 5.53 0.00 3.05 2.85 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 0.00 101 S 8.95 5.22 0.00 3.93 3.87 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 0.00 102 D 9.43 5.26 0.00 2.87 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 0.00 0.00 0.00 103 L 8.54 5.17 0.00 1.46 1.56 0.91 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 0.00 104 F 9.08 5.52 0.00 3.01 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 0.00 105 L 9.04 5.38 0.00 1.77 1.61 1.00 0.47 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 0.00 106 L 9.22 5.44 0.00 1.72 1.87 0.85 0.13 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 0.00 107 L 9.14 5.01 0.00 1.72 1.49 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.01 3.91 0.00 0.79 1.02 0.00 1.25 0.00 0.00 1.26 0.00 0.00 2.70 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.82 0.21 7.81 109 L 8.75 4.02 0.00 1.78 1.53 0.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 110 D 9.49 4.54 0.00 2.89 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 0.00 111 G 8.59 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 0.00 112 K 7.41 4.58 0.00 1.73 1.58 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 113 W 8.90 4.81 0.00 3.17 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 0.00 114 T 8.83 4.72 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 1.33 0.00 0.00 115 I 8.42 4.29 1.21 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.13 1.14 0.00 0.00 116 V 8.96 4.35 2.14 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 0.81 0.00 0.00 1.05 0.00 0.00 117 N 8.18 5.56 0.00 2.71 2.73 0.00 0.00 6.52 7.78 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 0.00 118 K 8.75 4.98 0.00 2.00 1.76 0.00 1.70 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 0.96 7.81 119 V 8.74 5.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.86 0.00 0.00 120 F 7.99 5.91 0.00 2.98 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 0.00 121 H 8.94 4.83 0.00 3.23 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.66 4.38 0.00 1.85 1.59 0.28 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.84 4.35 0.00 3.17 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 8.58 4.15 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 * Residues marked with a * may have inaccurate shift predictions.