NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5308 8.3049 120.3487 55.5347 35.9716 177.5001 2 N 4.2827 8.4663 116.1221 53.7713 37.4134 177.2651 3 R 4.2369 9.3586 134.9706 56.3852 30.2045 175.5228 4 G 3.7069 8.6289 111.6399 46.8860 0.0000 172.6030 5 A 4.1015 7.7724 122.5683 54.6021 19.2557 179.0297 6 L 4.0356 7.8082 116.6649 57.4879 42.3455 178.9894 7 I 3.8596 7.5176 120.0471 64.5944 36.9791 178.1456 8 K 4.1804 7.1960 116.8550 58.3282 32.0405 177.9734 9 L 4.3281 7.7068 117.5923 55.9282 41.8262 177.7552 10 V 4.1500 7.5856 117.9476 62.7195 31.3370 175.5063 11 E 4.3049 7.7273 119.4266 57.9090 31.1633 177.6671 12 S 4.2345 7.5272 115.2958 58.5310 61.0453 174.6634 13 R 4.5519 7.8571 112.9971 57.1427 30.2104 177.1386 14 Y 4.7384 8.1424 114.2882 57.6095 38.8518 175.7075 15 V 4.2446 7.8602 119.9954 59.9820 32.6051 175.7352 16 R 4.2182 8.4928 124.5314 56.1956 30.7089 176.1895 17 T 4.4745 8.3611 115.6049 62.8215 69.1943 175.0308 18 D 4.5161 8.3140 120.4233 55.8063 39.4272 177.2077 19 L 4.0306 7.8834 118.9715 55.0236 40.7242 175.2044 20 P 4.4123 0.0000 0.0000 62.3793 31.9869 175.8379 21 E 4.4773 8.5430 121.8181 55.2996 30.5663 175.9575 22 F 4.9055 7.3839 121.5392 56.6316 40.4474 173.2788 23 R 4.4772 7.2993 119.4163 53.5090 32.2938 173.0330 24 P 4.9432 0.0000 0.0000 64.5047 31.0197 178.4878 25 G 3.8318 9.8467 108.2786 45.6077 0.0000 174.2833 26 D 5.4524 7.2971 135.0000 53.9912 42.7314 176.3789 27 T 3.5273 7.6050 120.4936 60.8498 66.7558 174.6362 28 V 4.0863 5.4500 116.1730 62.3993 33.9663 169.4815 29 R 4.7355 9.0486 127.4689 55.9840 33.2372 173.3815 30 V 3.0239 6.6003 111.5179 60.4240 34.6068 173.9948 31 S 4.2530 7.7788 114.3143 57.5575 65.2800 178.4075 32 Y 4.0520 5.3700 118.5270 56.6562 36.2516 175.9107 33 K 4.0470 10.0047 126.9753 55.9906 30.5037 175.1857 34 V 4.8004 9.1383 121.7844 59.0672 34.3754 175.5166 35 K 4.7770 7.8659 128.6013 57.1486 32.6340 174.5788 36 E 3.7921 7.9109 118.6311 56.3217 31.0943 179.0779 37 G 4.1105 11.0836 108.0794 44.5301 0.0000 174.1316 38 N 4.9212 7.6703 117.3143 50.9002 38.3316 174.7471 39 R 4.1760 8.3750 121.8198 56.7806 30.8690 175.8181 40 T 3.6644 6.3398 107.2490 59.3329 69.8382 173.5091 41 R 5.1375 7.9058 135.0000 56.2680 31.4974 172.6836 42 I 4.7292 7.9133 126.0402 60.4026 37.5344 175.0321 43 Q 4.6250 8.5426 128.8903 54.5513 31.1378 174.0297 44 D 5.1123 8.6325 125.0772 52.9714 43.4024 175.9897 45 F 4.5777 8.6000 122.6759 56.5416 42.2388 173.6532 46 E 4.5072 8.4942 128.4738 55.3431 29.2160 174.9990 47 G 4.2080 8.0141 111.8636 45.1197 0.0000 171.5293 48 I 4.1251 8.3019 121.8800 60.8899 38.2747 176.5251 49 V 4.2934 8.5826 127.2019 61.4404 30.7757 176.6164 50 I 3.5817 8.6755 128.8823 64.0352 38.5117 175.5496 51 R 4.4486 7.3730 117.1422 55.4977 33.3551 173.7586 52 I 5.1069 8.2670 124.3283 59.8272 41.0590 175.0608 53 R 4.4809 9.0990 125.5823 54.3913 30.2340 175.9352 54 R 4.7452 8.3520 123.4378 56.0396 31.4880 176.6723 55 N 4.5989 8.7374 113.9087 53.6372 41.2222 174.9848 56 G 3.7038 7.9035 115.0077 46.3546 0.0000 174.1681 57 F 4.3353 8.9580 128.9933 59.1447 39.4702 174.3022 58 N 4.0759 6.5698 116.1062 53.4955 36.5315 173.7617 59 T 4.1018 7.7674 115.6064 62.7360 68.1249 173.2594 60 T 5.2232 8.4471 117.8948 59.7860 72.4942 172.6200 61 F 5.4703 8.6365 116.7923 55.3768 41.9350 173.4664 62 T 4.6443 9.1911 115.2121 60.3110 70.4639 172.7561 63 V 4.9686 8.6149 128.1516 61.3527 34.7089 174.1764 64 R 5.3356 8.9821 125.9218 54.6255 33.3266 174.4461 65 K 4.8552 9.6193 124.6200 55.6207 36.9140 175.3001 66 V 4.4128 8.0335 118.3953 61.2162 32.1091 174.4302 67 S 4.1109 8.3141 121.6132 57.4731 62.3260 174.4238 68 Y 3.3002 7.7366 129.0147 58.3070 35.8895 171.2864 69 G 3.8814 9.2588 111.0309 49.7494 0.0000 174.1124 70 V 3.7916 7.8365 119.8305 62.2396 32.2899 174.5728 71 G 4.1753 8.3939 113.7180 43.8691 0.0000 173.0760 72 V 4.6248 8.8471 122.4354 60.7356 35.2333 173.6827 73 E 5.2227 8.8912 126.3640 54.4841 32.3085 174.9878 74 R 4.3206 9.1137 125.1602 54.1312 33.8140 174.3171 75 I 4.1514 7.6961 123.2225 59.2377 39.6361 174.7872 76 F 5.0019 7.7538 125.9688 54.8428 40.9966 175.1470 77 P 4.0946 0.0000 0.0000 63.5369 31.3618 177.4160 78 L 4.2150 8.6362 117.9091 55.6287 40.5291 173.0289 79 H 4.8796 7.6884 111.5078 56.0399 32.4060 171.9298 80 S 4.4675 8.7433 120.6834 57.0960 62.1174 168.5210 81 P 4.9373 0.0000 0.0000 62.3645 31.4833 175.6251 82 L 4.4922 7.5549 117.5117 53.4426 43.5730 176.6521 83 I 3.6133 7.8090 119.2514 61.9102 37.9791 175.8336 84 Q 4.6757 7.5244 120.1152 53.4449 31.3937 175.5452 85 K 4.2585 7.6226 115.7558 56.8305 33.1125 177.0192 86 I 3.3751 6.6042 119.9253 58.0140 34.4502 174.1563 87 D 4.6916 8.1613 125.3794 52.2310 40.5209 177.2699 88 I 4.3109 8.4778 127.4302 61.2797 39.0853 177.6990 89 V 3.6443 8.4580 131.8660 64.0997 31.7155 176.3231 90 Q 4.3042 8.5713 128.2545 55.9592 30.4739 174.7010 91 R 4.6451 8.9038 123.0346 55.7822 33.9992 175.2250 92 G 4.0705 9.5832 118.3544 45.7045 0.0000 175.4786 93 R 3.3865 7.9107 118.3004 55.9275 29.0707 176.5989 94 A 4.1241 7.8154 119.1306 52.5526 18.9635 178.8204 95 R 4.2720 8.6609 121.3399 56.5048 30.3965 175.7476 96 R 4.5672 7.3144 113.0074 55.0857 33.4428 173.9695 97 A 3.8379 8.6602 123.5661 53.7214 17.3022 178.7483 98 K 3.7654 8.9650 118.6467 55.3414 33.8229 177.8302 99 L 5.0170 7.5955 125.5132 54.2964 40.1267 177.1900 100 Y 4.1276 7.6152 119.8518 61.4901 38.2509 178.1496 101 F 4.2083 8.4819 115.8110 60.0362 37.8200 177.8225 102 I 3.4133 6.6703 112.3423 63.5034 37.1499 178.0854 103 R 3.8637 8.0010 119.5662 59.6656 30.0499 178.2335 104 N 4.7419 7.6710 113.8210 54.7330 39.7604 176.0241 105 L 4.6708 7.9640 120.1116 53.2921 43.5281 175.1301 106 S 4.8023 8.4540 116.5413 56.8145 66.4191 174.6808 107 D 5.0109 7.9806 119.3741 52.6130 34.8450 179.4636 108 R 3.9832 8.8687 119.8553 57.5459 30.5665 177.5042 109 E 4.3405 8.6594 117.7291 59.9237 29.5268 178.8551 110 I 3.8237 7.3568 119.7144 64.3555 36.8967 178.6831 111 R 4.0454 7.9439 117.7083 59.4790 29.9074 178.4812 112 R 4.1089 7.3565 117.7597 58.2954 30.2080 178.4580 113 K 4.1728 7.9604 118.3971 59.1825 33.3171 178.4402 114 L 4.6045 8.0605 124.2914 53.1186 40.2074 177.1534 115 R 4.2638 7.9337 121.7799 54.4931 31.4531 176.3654 116 A 3.9629 8.3020 122.7853 52.4086 18.7159 178.0006 117 D 4.6290 8.5207 123.1237 53.5769 40.9252 176.7815 118 R 3.9608 8.7967 125.3087 58.1856 29.8945 179.3823 119 K 4.4609 7.1966 118.3819 59.1084 32.9529 178.4161 120 R 3.8994 8.2962 118.4558 59.3476 30.2146 178.7881 121 I 3.8047 8.0037 119.9141 64.6502 36.9964 177.9562 122 D 4.4462 8.4826 119.9935 56.9951 40.7172 178.5042 123 Q 4.1452 7.5008 115.7737 58.0355 28.1320 177.6538 124 D 4.4954 7.4256 119.9723 57.1554 41.5602 177.8148 125 R 3.9124 7.7272 117.3414 59.2336 30.5644 178.3190 126 A 3.9904 8.7368 120.8465 55.2517 18.5560 177.9602 127 A 4.0992 7.5662 117.9174 51.5719 19.0518 177.9959 128 E 5.9800 8.3969 133.7724 56.4354 30.5397 178.1536 129 R 3.8449 7.8793 119.2155 57.9464 29.4879 174.7885 130 A 4.5094 8.1972 124.3558 51.3095 19.6735 176.8673 131 A 4.0657 7.7422 120.2160 52.0521 16.7914 176.7059 132 K 3.7041 8.4135 119.6090 58.0198 32.7918 178.0074 133 E 4.6194 8.5316 128.2073 54.6970 28.8265 174.1792 134 E 4.5720 7.4531 119.4172 55.1664 33.4340 173.5928 135 A 3.7780 9.0579 123.0429 52.5324 17.0150 177.3543 136 Q 4.5630 7.9442 117.6543 58.4116 35.0890 174.7383 137 K 4.2266 7.7524 118.0025 54.1499 32.1630 175.8221 *138 A 4.1104 8.2104 124.9530 52.1675 18.7921 176.6496 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 4.53 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.63 0.00 2 N 8.47 4.28 0.00 2.81 2.45 0.00 0.00 6.92 6.78 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 3 R 9.36 4.24 0.00 1.82 2.03 0.00 3.30 0.00 0.00 3.34 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 4 G 8.63 3.71 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 0.00 0.00 0.00 5 A 7.77 4.10 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 6 L 7.81 4.04 0.00 1.65 1.72 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.52 3.86 1.87 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 1.41 0.82 0.91 0.00 0.00 8 K 7.20 4.18 0.00 1.73 2.00 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 9 L 7.71 4.33 0.00 1.81 1.71 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.59 4.15 2.31 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 0.80 0.00 0.00 0.95 0.00 0.00 11 E 7.73 4.30 0.00 2.18 1.77 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 2.24 2.32 0.00 12 S 7.53 4.23 0.00 3.81 3.22 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 13 R 7.86 4.55 0.00 1.60 1.75 0.00 3.29 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 14 Y 8.14 4.74 0.00 2.84 3.10 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 0.00 0.00 0.00 0.00 15 V 7.86 4.24 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 0.87 0.00 0.00 1.03 0.00 0.00 16 R 8.49 4.22 0.00 1.99 2.34 0.00 3.41 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 17 T 8.36 4.47 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 1.24 0.00 0.00 18 D 8.31 4.52 0.00 2.83 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 19 L 7.88 4.03 0.00 1.82 1.78 1.10 0.79 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 20 P 0.00 4.41 0.00 1.94 1.99 0.00 3.57 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 1.93 2.03 0.00 21 E 8.54 4.48 0.00 1.95 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 2.28 2.34 0.00 22 F 7.38 4.91 0.00 3.16 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 23 R 7.30 4.48 0.00 1.90 1.95 0.00 2.95 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 24 P 0.00 4.94 0.00 2.20 2.07 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 25 G 9.85 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 26 D 7.30 5.45 0.00 2.77 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 27 T 7.60 3.53 3.92 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 1.26 0.00 0.00 28 V 5.45 4.09 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 0.78 0.00 0.00 1.00 0.00 0.00 29 R 9.05 4.74 0.00 1.82 2.03 0.00 3.24 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.45 0.00 30 V 6.60 3.02 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 0.96 0.00 0.00 0.88 0.00 0.00 31 S 7.78 4.25 0.00 2.72 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 32 Y 5.37 4.05 0.00 3.14 2.49 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 33 K 10.00 4.05 0.00 2.25 2.05 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.42 7.81 34 V 9.14 4.80 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 0.90 0.00 0.00 0.98 0.00 0.00 35 K 7.87 4.78 0.00 2.05 1.90 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.21 1.13 7.81 36 E 7.91 3.79 0.00 2.03 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 0.00 2.40 2.37 0.00 37 G 11.08 4.11 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 0.00 0.00 0.00 38 N 7.67 4.92 0.00 2.93 2.94 0.00 0.00 6.83 7.80 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 39 R 8.38 4.18 0.00 1.92 1.88 0.00 3.18 0.00 0.00 3.42 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 40 T 6.34 3.66 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 1.22 0.00 0.00 41 R 7.91 5.14 0.00 2.02 2.08 0.00 3.40 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.35 0.00 42 I 7.91 4.73 1.83 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 1.15 0.01 0.84 0.00 0.00 43 Q 8.54 4.62 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 44 D 8.63 5.11 0.00 2.58 2.57 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 0.00 0.00 0.00 0.00 45 F 8.60 4.58 0.00 3.26 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 46 E 8.49 4.51 0.00 1.88 1.72 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 2.17 2.25 0.00 47 G 8.01 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 0.00 0.00 0.00 0.00 48 I 8.30 4.13 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.89 0.00 0.00 49 V 8.58 4.29 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 0.88 0.00 0.00 1.10 0.00 0.00 50 I 8.68 3.58 1.85 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 1.10 0.97 0.93 0.00 0.00 51 R 7.37 4.45 0.00 1.58 1.58 0.00 3.19 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 52 I 8.27 5.11 1.80 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.90 0.00 0.00 53 R 9.10 4.48 0.00 1.85 2.10 0.00 2.78 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 54 R 8.35 4.75 0.00 1.82 1.90 0.00 3.28 0.00 0.00 3.77 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 55 N 8.74 4.60 0.00 2.63 2.70 0.00 0.00 7.02 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 56 G 7.90 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 0.00 0.00 0.00 57 F 8.96 4.34 0.00 3.04 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 58 N 6.57 4.08 0.00 2.87 2.96 0.00 0.00 5.87 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 59 T 7.77 4.10 4.36 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 1.32 0.00 0.00 60 T 8.45 5.22 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 1.18 0.00 0.00 61 F 8.64 5.47 0.00 3.34 3.20 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 62 T 9.19 4.64 4.10 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 0.00 0.00 0.00 1.16 0.00 0.00 63 V 8.61 4.97 2.44 0.00 0.00 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 1.47 0.00 0.00 64 R 8.98 5.34 0.00 1.92 1.73 0.00 3.20 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 65 K 9.62 4.86 0.00 1.68 1.50 0.00 0.88 0.00 0.00 0.61 0.00 0.00 2.37 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.87 1.09 7.81 66 V 8.03 4.41 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 0.90 0.00 0.00 0.90 0.00 0.00 67 S 8.31 4.11 0.00 3.83 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 68 Y 7.74 3.30 0.00 3.24 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 69 G 9.26 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 70 V 7.84 3.79 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 0.98 0.00 0.00 71 G 8.39 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 0.00 0.00 0.00 0.00 72 V 8.85 4.62 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 1.10 0.00 0.00 1.01 0.00 0.00 73 E 8.89 5.22 0.00 1.99 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 2.33 0.00 74 R 9.11 4.32 0.00 0.67 0.66 0.00 2.82 0.00 0.00 2.85 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 75 I 7.70 4.15 1.61 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 1.13 0.36 0.69 0.00 0.00 76 F 7.75 5.00 0.00 1.54 2.57 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 0.00 0.00 0.00 0.00 77 P 0.00 4.09 0.00 2.31 2.02 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 78 L 8.64 4.22 0.00 2.05 1.79 1.27 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.69 4.88 0.00 3.02 3.19 0.00 5.76 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 80 S 8.74 4.47 0.00 4.19 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 81 P 0.00 4.94 0.00 2.75 2.40 0.00 3.93 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.11 0.00 82 L 7.55 4.49 0.00 1.53 1.45 1.04 0.83 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 83 I 7.81 3.61 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.45 0.86 0.00 0.00 84 Q 7.52 4.68 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.11 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 85 K 7.62 4.26 0.00 1.53 1.48 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.22 1.34 7.81 86 I 6.60 3.38 1.92 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 1.42 0.41 0.86 0.00 0.00 87 D 8.16 4.69 0.00 2.54 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.31 2.03 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 1.08 0.66 0.89 0.00 0.00 89 V 8.46 3.64 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 0.92 0.00 0.00 90 Q 8.57 4.30 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 91 R 8.90 4.65 0.00 1.75 1.70 0.00 3.35 0.00 0.00 3.23 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 92 G 9.58 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 93 R 7.91 3.39 0.00 1.89 1.95 0.00 3.42 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 1.54 1.56 0.00 94 A 7.82 4.12 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 95 R 8.66 4.27 0.00 1.81 1.96 0.00 3.39 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 96 R 7.31 4.57 0.00 2.03 1.90 0.00 3.13 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 97 A 8.66 3.84 1.21 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 0.00 0.00 0.00 98 K 8.96 3.77 0.00 1.82 1.46 0.00 1.54 0.00 0.00 1.78 0.00 0.00 3.19 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.62 1.42 7.81 99 L 7.60 5.02 0.00 1.86 1.97 0.81 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.62 4.13 0.00 3.14 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 0.00 101 F 8.48 4.21 0.00 3.22 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 0.00 102 I 6.67 3.41 1.54 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 1.31 0.91 -0.04 0.00 0.00 103 R 8.00 3.86 0.00 1.80 2.09 0.00 3.21 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 1.70 2.08 0.00 104 N 7.67 4.74 0.00 3.03 2.93 0.00 0.00 6.85 7.73 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 0.00 105 L 7.96 4.67 0.00 1.66 1.73 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.45 4.80 0.00 3.94 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 0.00 107 D 7.98 5.01 0.00 2.93 2.40 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 0.00 108 R 8.87 3.98 0.00 1.87 1.95 0.00 3.17 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 109 E 8.66 4.34 0.00 2.32 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 0.00 2.35 2.55 0.00 110 I 7.36 3.82 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.88 0.00 0.00 111 R 7.94 4.05 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 112 R 7.36 4.11 0.00 2.13 1.94 0.00 3.22 0.00 0.00 3.25 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 113 K 7.96 4.17 0.00 1.87 2.15 0.00 1.84 0.00 0.00 1.81 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.87 1.68 7.81 114 L 8.06 4.60 0.00 1.76 1.65 0.92 0.94 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 0.00 115 R 7.93 4.26 0.00 1.81 1.87 0.00 3.38 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.58 0.00 116 A 8.30 3.96 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 0.00 117 D 8.52 4.63 0.00 2.82 2.60 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 0.00 118 R 8.80 3.96 0.00 1.86 1.88 0.00 3.37 0.00 0.00 3.26 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 119 K 7.20 4.46 0.00 1.84 1.91 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 120 R 8.30 3.90 0.00 1.93 1.95 0.00 3.22 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.09 0.00 121 I 8.00 3.80 2.12 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 1.79 0.94 0.91 0.00 0.00 122 D 8.48 4.45 0.00 2.66 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 0.00 123 Q 7.50 4.15 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.65 2.41 0.00 124 D 7.43 4.50 0.00 2.92 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 0.00 125 R 7.73 3.91 0.00 1.76 1.95 0.00 3.36 0.00 0.00 3.22 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 126 A 8.74 3.99 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 0.00 127 A 7.57 4.10 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 0.00 128 E 8.40 5.98 0.00 2.12 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 2.02 2.40 0.00 129 R 7.88 3.84 0.00 1.77 1.95 0.00 3.35 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 130 A 8.20 4.51 1.27 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 0.00 131 A 7.74 4.07 1.27 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 0.00 132 K 8.41 3.70 0.00 1.75 1.83 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.46 7.81 133 E 8.53 4.62 0.00 1.88 1.86 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 2.19 2.32 0.00 134 E 7.45 4.57 0.00 2.02 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 2.26 2.35 0.00 135 A 9.06 3.78 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 0.00 136 Q 7.94 4.56 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 137 K 7.75 4.23 0.00 1.91 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *138 A 8.21 4.11 1.23 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.