NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.6421 8.1316 120.0243 54.3955 43.1038 176.1208 1 V 3.7466 8.3043 121.9022 62.5856 32.3473 174.1540 2 K 4.5861 8.9089 123.9448 56.0215 36.6529 175.0138 3 K 4.9740 8.0868 121.1317 54.4542 35.0383 175.0053 4 V 4.9273 8.9673 127.3229 60.9854 35.1402 173.6178 5 L 5.0539 8.9220 129.5388 53.2840 44.4097 174.6427 6 L 5.0235 9.0863 129.7388 54.3999 43.3576 175.0463 7 I 5.1402 8.9607 127.9574 59.6359 40.1782 174.4016 8 N 5.3352 9.4603 124.2805 51.7370 41.4683 174.9254 9 G 4.3632 9.0892 115.4661 43.6458 0.0000 170.9915 10 P 4.3442 0.0000 0.0000 64.7195 31.4874 176.6730 11 N 4.7327 9.6915 118.8958 53.7124 38.0529 176.4278 12 L 4.0775 7.5155 116.8419 56.8305 41.6590 177.5203 13 N 4.5928 8.0538 114.4199 53.5216 37.7083 175.3062 14 L 4.5111 8.1810 119.4806 54.5130 43.0161 175.9068 15 L 4.4898 7.6388 120.5197 54.5773 41.5975 176.0801 16 G 3.8561 7.9562 111.8293 44.4331 0.0000 172.2783 17 T 4.5371 8.9846 116.4580 60.9472 69.2759 175.5012 18 R 4.2447 7.8384 119.1896 58.5666 32.3383 176.2203 *23 Y 4.4723 7.8359 115.2555 56.7696 40.5991 174.9137 24 G 4.0220 7.6864 108.3833 44.5718 0.0000 175.1361 25 T 3.9885 8.2083 108.1004 62.0436 67.0159 174.3640 26 T 4.2993 8.6909 121.5959 63.5742 68.2956 174.9749 27 S 5.1228 8.7207 123.9938 56.7029 65.5295 174.6846 28 L 3.8493 8.3775 123.4909 58.5441 41.5810 179.0917 29 S 4.3193 7.8085 113.8522 60.4462 62.3295 175.4827 30 D 4.3279 7.9947 121.7614 57.4789 40.6072 178.6430 31 I 3.5894 7.3201 120.0542 64.6303 36.5914 177.9365 32 E 3.8412 8.1749 119.1534 59.7392 29.2578 179.3223 33 Q 3.9949 8.4454 117.7087 59.2717 28.9057 179.3645 34 A 3.9728 8.3775 121.6207 54.9759 18.4434 179.5434 35 A 3.9515 8.1676 119.4077 55.2463 18.3246 179.8201 36 I 3.7387 7.8006 118.2283 64.8104 37.1791 178.4245 37 E 3.9814 8.4650 119.5460 59.3914 29.0733 179.3138 38 Q 3.9217 8.1745 119.2995 59.1497 28.9422 178.3146 39 A 3.9722 7.3331 118.7376 55.2877 18.8037 179.5058 40 K 4.0592 7.8735 116.7531 58.9763 31.7817 177.5741 41 L 4.3657 7.3606 119.2174 55.3736 42.7263 176.7819 42 K 4.4520 7.5885 113.6223 54.7488 33.3204 177.3040 43 N 4.2450 8.5356 114.9576 54.2513 38.1019 173.3078 44 N 5.0315 7.4403 112.8352 54.4319 37.6057 173.9435 45 D 4.7399 7.9880 111.0097 56.5399 39.0654 174.1633 46 S 5.5019 7.0749 112.1529 56.9335 65.5446 174.6987 47 E 4.6715 8.2895 120.1490 55.3526 33.0149 173.7668 48 V 4.8168 8.4542 126.5912 61.2310 33.4825 174.8322 49 L 4.6232 8.9077 128.3293 54.1161 43.4435 176.2055 50 V 5.0790 8.1408 113.8046 60.0505 35.1776 174.8040 51 F 4.8971 8.7692 123.4507 57.5216 43.0656 172.6751 52 Q 5.3465 7.0360 124.2436 54.8741 32.4297 173.2085 53 S 4.5333 8.1401 115.4259 58.2655 65.4683 175.8782 54 N 4.7401 9.1298 120.4618 53.5462 39.4860 175.1566 55 T 4.3556 7.6367 116.5109 62.2324 69.3221 174.7260 56 E 3.6695 8.8321 127.9378 59.4127 29.6441 179.2077 57 G 3.5460 7.8091 105.0049 47.8498 0.0000 175.3591 58 F 4.7939 7.9312 120.8015 59.7298 38.9343 178.0470 59 I 3.9180 7.8934 119.3705 64.3745 37.1095 178.1612 60 I 3.6096 7.9440 120.8176 64.5829 36.9900 178.2365 61 D 4.2440 8.7114 120.0581 57.2709 40.5830 178.9048 62 R 3.7430 7.6002 118.9067 59.0978 29.9116 178.6671 63 I 3.6665 7.6873 119.8036 64.4614 36.9363 177.9985 64 H 4.1857 7.9843 117.0393 59.0430 28.6875 177.3873 65 E 3.9049 8.4804 121.0426 59.1533 29.2997 178.7678 66 A 3.9426 7.9606 120.8707 54.8417 18.4629 179.2200 67 K 3.7809 7.8096 117.6758 60.0837 32.0515 178.8203 68 R 3.9165 7.4458 116.5906 59.5023 30.1040 178.0850 69 Q 4.2408 7.8042 116.9188 56.6333 29.2808 176.5418 70 G 3.9358 7.8617 107.4804 45.1701 0.0000 173.7364 71 V 3.6288 7.6628 119.6679 63.4639 31.6927 175.9140 72 G 4.2086 8.7212 113.0756 46.4137 0.0000 172.8468 73 F 5.0114 7.8723 121.3025 57.0995 43.2234 172.6143 74 V 4.9776 8.5557 123.2605 61.1368 34.8957 174.2533 75 V 4.9609 9.1535 128.0015 61.3791 33.4632 173.9973 76 I 5.0846 9.0429 128.7003 59.2515 41.4037 173.6057 77 N 5.2800 9.5672 127.7453 50.8953 40.2830 174.3024 78 A 4.3710 8.7483 127.8593 51.6337 20.2645 178.5374 79 G 3.6880 8.2554 106.4526 45.9987 0.0000 176.5005 80 A 4.1141 8.5053 121.9151 55.4013 18.1797 178.8292 81 Y 4.7814 7.4565 114.5923 61.3803 37.7622 178.9541 82 T 3.9541 8.0815 117.0967 66.6162 68.3862 175.1465 83 H 5.0022 8.5417 115.2779 56.2881 29.3562 175.6066 84 T 4.7034 7.8927 106.8650 60.7514 69.7588 174.0048 85 S 4.3417 8.1736 118.1234 56.5254 61.4946 174.2128 86 V 3.4038 7.5454 127.2965 64.8495 31.3051 177.2795 87 G 3.6765 7.9100 105.4867 48.1819 0.0000 175.4876 88 I 3.6620 8.1034 123.1546 63.4849 37.0555 178.5344 89 R 3.7752 7.4879 118.8206 59.7567 29.9257 178.4932 90 D 4.4008 8.3823 118.4171 56.9688 40.7093 178.7073 91 A 4.0109 7.8678 121.7657 55.0343 18.3990 179.6954 92 L 3.8946 7.8183 117.5470 57.9319 41.4513 179.8004 93 L 4.1675 7.8965 118.0014 57.7034 41.6525 179.3739 94 G 3.7840 8.2399 105.2700 47.3291 0.0000 174.7900 95 T 4.3116 8.0833 109.5226 60.4284 69.1849 175.2762 96 A 4.2834 7.5543 123.1599 53.2098 16.7933 176.9465 97 I 4.0967 7.1487 119.7590 61.6891 37.8328 174.8380 98 P 4.3442 0.0000 0.0000 62.7888 32.6183 175.1660 99 F 5.0631 7.3825 115.2297 55.8088 41.4705 172.7364 100 I 4.9437 8.9712 120.3120 59.5733 40.5915 174.0586 101 E 5.1376 8.8098 126.7863 54.5626 31.8941 174.6400 102 V 4.6276 8.7220 126.7412 61.3421 35.0254 173.8098 103 H 4.7413 8.9028 123.6294 54.0658 31.9825 174.4449 104 I 3.7925 8.7595 124.4079 64.0087 38.0106 176.4043 105 T 4.6427 7.7266 109.4988 59.5761 71.0464 174.1334 106 N 4.5236 8.2595 120.7204 52.1556 37.8027 175.0133 107 V 3.4469 8.2415 125.9933 66.1229 31.6273 177.8940 108 H 4.1588 7.8042 114.8769 58.0702 28.7596 176.5510 109 Q 4.0947 8.1268 118.3017 58.2850 28.8966 176.5629 110 R 4.3902 7.4638 116.6972 54.8835 32.4662 175.7167 111 E 3.9508 8.3020 117.5057 56.6071 30.2678 176.0286 112 P 3.7583 0.0000 0.0000 65.6467 31.8158 178.4573 113 F 4.1998 8.2457 112.4016 59.4633 37.4760 176.6401 114 R 3.8636 7.1234 118.6890 56.8807 30.1943 176.9251 115 H 4.4780 7.9803 115.0842 57.1488 29.0148 175.2211 116 Q 4.4467 7.4443 118.2913 54.4406 29.6888 175.0533 117 S 4.9121 8.2981 116.2791 56.8572 65.2695 173.0942 118 Y 4.5835 8.8862 123.0923 58.4088 38.3182 176.3044 119 L 4.6824 7.8135 120.3027 56.3262 43.2631 178.8107 120 S 4.3112 8.9242 115.0292 60.8624 62.8210 175.7285 121 D 4.4888 8.1159 117.0743 54.3545 39.6019 176.6013 122 K 4.3867 8.1454 117.8482 56.1110 33.6635 176.3409 123 A 2.8905 7.1065 121.5520 50.9758 19.0538 177.7270 124 V 3.7518 7.8900 120.9051 65.8852 32.1696 176.2223 125 A 4.6162 7.3903 119.2335 50.6567 22.6524 175.2345 126 V 4.8055 8.1813 118.7034 61.1223 34.7254 174.7386 127 I 4.6966 8.7622 128.3855 59.5170 40.1452 174.3779 128 C 5.4289 8.2297 121.2331 57.5265 32.2466 174.1627 129 G 4.0190 9.2687 110.9835 45.4757 0.0000 173.0808 130 L 4.4357 7.8929 119.4317 53.8292 42.9603 178.5161 131 G 3.7775 7.8222 105.9798 46.3296 0.0000 175.9531 132 V 3.9340 8.3626 117.7366 65.6123 32.1837 178.1502 133 Y 4.4509 8.2626 120.2168 60.3260 38.6571 177.4241 134 G 3.5752 8.1028 106.9440 48.1011 0.0000 175.2227 135 Y 4.1796 7.8908 118.2623 61.0376 37.8100 178.3999 136 T 4.2288 8.0140 117.3843 66.0179 68.6776 176.0133 137 A 3.7460 7.3808 122.4237 55.4273 18.2186 179.5385 138 A 3.9254 7.7520 118.4616 55.4314 18.4578 179.9749 139 I 3.6341 7.9022 118.3513 64.3010 36.9148 178.3038 140 E 3.9402 8.2839 119.2053 59.7119 29.6077 178.6213 141 Y 3.9744 7.9074 119.1052 60.3436 38.8737 177.2421 142 A 2.6835 7.9497 122.0640 55.0604 18.2203 179.4249 143 L 4.1461 7.6483 114.0718 56.3233 41.7659 178.1208 144 N 4.7944 7.3786 115.3642 51.7599 39.3893 174.0279 145 Y 3.8484 7.3962 124.1660 57.0915 39.2475 174.5042 146 Q 4.1724 8.1034 128.7248 55.5051 28.6808 175.2522 147 L 4.1926 8.4701 126.4705 55.4119 41.9981 176.7424 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 L 8.13 4.64 0.00 1.65 1.67 0.89 0.62 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 1 V 8.30 3.75 2.37 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 0.89 0.00 0.00 1.30 0.00 0.00 2 K 8.91 4.59 0.00 1.73 1.96 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.40 7.81 3 K 8.09 4.97 0.00 1.81 1.66 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.42 7.81 4 V 8.97 4.93 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 1.04 0.00 0.00 0.95 0.00 0.00 5 L 8.92 5.05 0.00 1.82 1.55 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.09 5.02 0.00 1.83 1.57 1.16 0.55 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 7 I 8.96 5.14 1.96 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 1.34 0.69 1.07 0.00 0.00 8 N 9.46 5.34 0.00 2.63 2.70 0.00 0.00 6.57 7.37 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 9 G 9.09 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 0.00 0.00 0.00 0.00 10 P 0.00 4.34 0.00 1.95 1.85 0.00 3.67 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.44 0.00 11 N 9.69 4.73 0.00 2.88 3.08 0.00 0.00 6.80 6.37 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 12 L 7.52 4.08 0.00 1.88 1.75 1.11 1.15 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 13 N 8.05 4.59 0.00 2.79 3.06 0.00 0.00 5.98 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 8.18 4.51 0.00 1.87 1.71 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.64 4.49 0.00 1.83 1.80 0.99 0.36 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 16 G 7.96 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 0.00 0.00 0.00 17 T 8.98 4.54 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 1.19 0.00 0.00 18 R 7.84 4.24 0.00 1.77 1.97 0.00 3.27 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 *23 Y 7.84 4.47 0.00 2.97 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 24 G 7.69 4.02 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 0.00 0.00 0.00 25 T 8.21 3.99 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 1.12 0.00 0.00 26 T 8.69 4.30 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 1.23 0.00 0.00 27 S 8.72 5.12 0.00 4.04 3.97 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 28 L 8.38 3.85 0.00 1.92 1.68 0.85 0.70 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 29 S 7.81 4.32 0.00 3.89 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 30 D 7.99 4.33 0.00 2.92 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 31 I 7.32 3.59 1.82 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 1.49 0.75 0.13 0.00 0.00 32 E 8.17 3.84 0.00 2.21 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 2.30 2.29 0.00 33 Q 8.45 3.99 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 34 A 8.38 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 3.95 1.38 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 0.00 0.00 0.00 36 I 7.80 3.74 2.06 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 1.53 1.38 0.91 0.00 0.00 37 E 8.47 3.98 0.00 2.09 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 2.53 2.48 0.00 38 Q 8.17 3.92 0.00 2.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 39 A 7.33 3.97 1.41 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 0.00 0.00 40 K 7.87 4.06 0.00 1.92 1.88 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 41 L 7.36 4.37 0.00 1.71 1.89 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.59 4.45 0.00 1.98 1.72 0.00 1.87 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.50 7.81 43 N 8.54 4.24 0.00 2.84 2.89 0.00 0.00 6.89 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 44 N 7.44 5.03 0.00 2.88 3.04 0.00 0.00 7.08 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 45 D 7.99 4.74 0.00 2.79 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 46 S 7.07 5.50 0.00 3.77 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 47 E 8.29 4.67 0.00 2.02 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 2.28 2.29 0.00 48 V 8.45 4.82 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 0.90 0.00 0.00 0.95 0.00 0.00 49 L 8.91 4.62 0.00 1.66 1.59 0.94 1.04 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 50 V 8.14 5.08 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 8.77 4.90 0.00 3.09 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 52 Q 7.04 5.35 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.07 0.00 53 S 8.14 4.53 0.00 3.80 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 54 N 9.13 4.74 0.00 2.76 2.83 0.00 0.00 6.88 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 55 T 7.64 4.36 3.73 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 0.32 0.00 0.00 56 E 8.83 3.67 0.00 1.30 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 0.00 2.04 1.55 0.00 57 G 7.81 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.93 4.79 0.00 3.35 3.18 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 59 I 7.89 3.92 2.10 0.00 0.00 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 2.01 1.36 0.99 0.00 0.00 60 I 7.94 3.61 1.96 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 1.43 0.82 0.75 0.00 0.00 61 D 8.71 4.24 0.00 2.62 2.67 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 0.00 62 R 7.60 3.74 0.00 1.22 1.57 0.00 2.84 0.00 0.00 2.62 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 63 I 7.69 3.67 1.93 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 1.44 0.88 0.88 0.00 0.00 64 H 7.98 4.19 0.00 3.27 3.31 0.00 5.65 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 65 E 8.48 3.90 0.00 1.99 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 0.00 2.26 2.34 0.00 66 A 7.96 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.81 3.78 0.00 1.87 1.96 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 68 R 7.45 3.92 0.00 1.89 2.01 0.00 3.20 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 69 Q 7.80 4.24 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.67 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 70 G 7.86 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 71 V 7.66 3.63 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 0.89 0.00 0.00 0.98 0.00 0.00 72 G 8.72 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 73 F 7.87 5.01 0.00 3.07 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 74 V 8.56 4.98 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 0.97 0.00 0.00 0.96 0.00 0.00 75 V 9.15 4.96 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 1.13 0.00 0.00 1.05 0.00 0.00 76 I 9.04 5.08 1.89 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 1.12 1.79 0.98 0.00 0.00 77 N 9.57 5.28 0.00 2.83 2.88 0.00 0.00 6.98 8.93 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 78 A 8.75 4.37 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 80 A 8.51 4.11 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 81 Y 7.46 4.78 0.00 3.14 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 82 T 8.08 3.95 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 1.30 0.00 0.00 83 H 8.54 5.00 0.00 3.31 3.49 0.00 5.60 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 84 T 7.89 4.70 4.33 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 1.35 0.00 0.00 85 S 8.17 4.34 0.00 3.64 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 86 V 7.55 3.40 1.76 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 0.93 0.00 0.00 -0.03 0.00 0.00 87 G 7.91 3.68 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 0.00 0.00 0.00 88 I 8.10 3.66 1.81 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 1.35 0.41 0.81 0.00 0.00 89 R 7.49 3.78 0.00 2.11 2.07 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 90 D 8.38 4.40 0.00 2.98 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 91 A 7.87 4.01 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 92 L 7.82 3.89 0.00 1.63 1.62 -0.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.90 4.17 0.00 1.65 1.76 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.24 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 0.00 0.00 0.00 95 T 8.08 4.31 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 1.19 0.00 0.00 96 A 7.55 4.28 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.15 4.10 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 1.24 0.58 0.89 0.00 0.00 98 P 0.00 4.34 0.00 0.71 1.34 0.00 3.53 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 1.93 1.99 0.00 99 F 7.38 5.06 0.00 3.10 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 0.00 100 I 8.97 4.94 2.04 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 1.19 1.39 0.93 0.00 0.00 101 E 8.81 5.14 0.00 2.26 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 2.14 2.25 0.00 102 V 8.72 4.63 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 0.12 0.00 0.00 0.76 0.00 0.00 103 H 8.90 4.74 0.00 3.02 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.76 3.79 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.35 0.98 0.00 0.00 105 T 7.73 4.64 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 1.24 0.00 0.00 106 N 8.26 4.52 0.00 2.77 2.76 0.00 0.00 6.47 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 0.00 107 V 8.24 3.45 1.81 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 0.80 0.00 0.00 0.74 0.00 0.00 108 H 7.80 4.16 0.00 3.13 3.20 0.00 5.76 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 0.00 109 Q 8.13 4.09 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 110 R 7.46 4.39 0.00 1.85 1.73 0.00 3.13 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 111 E 8.30 3.95 0.00 1.24 1.66 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 2.45 2.33 0.00 112 P 0.00 3.76 0.00 2.15 2.08 0.00 3.53 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 2.11 2.09 0.00 113 F 8.25 4.20 0.00 3.18 3.30 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 0.00 114 R 7.12 3.86 0.00 1.49 1.67 0.00 2.84 0.00 0.00 2.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 115 H 7.98 4.48 0.00 3.13 3.36 0.00 5.66 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 0.00 116 Q 7.44 4.45 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 117 S 8.30 4.91 0.00 3.84 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 0.00 118 Y 8.89 4.58 0.00 3.04 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 0.00 119 L 7.81 4.68 0.00 1.87 2.03 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.92 4.31 0.00 3.87 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 0.00 121 D 8.12 4.49 0.00 2.80 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 0.00 122 K 8.15 4.39 0.00 2.00 1.98 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.60 7.81 123 A 7.11 2.89 1.12 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 0.00 124 V 7.89 3.75 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 0.90 0.00 0.00 0.68 0.00 0.00 125 A 7.39 4.62 0.94 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 0.00 126 V 8.18 4.81 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 0.93 0.00 0.00 0.99 0.00 0.00 127 I 8.76 4.70 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.83 0.00 0.00 128 C 8.23 5.43 0.00 3.08 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 0.00 129 G 9.27 4.02 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 0.00 0.00 0.00 130 L 7.89 4.44 0.00 1.62 1.71 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.82 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 0.00 0.00 0.00 132 V 8.36 3.93 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 1.08 0.00 0.00 1.08 0.00 0.00 133 Y 8.26 4.45 0.00 3.09 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 0.00 134 G 8.10 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 0.00 0.00 0.00 135 Y 7.89 4.18 0.00 3.17 2.93 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 0.00 136 T 8.01 4.23 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 1.31 0.00 0.00 137 A 7.38 3.75 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 0.00 138 A 7.75 3.93 1.37 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 0.00 0.00 0.00 139 I 7.90 3.63 2.13 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 1.55 1.13 0.90 0.00 0.00 140 E 8.28 3.94 0.00 2.08 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 2.36 2.50 0.00 141 Y 7.91 3.97 0.00 3.01 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 0.00 142 A 7.95 2.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.65 4.15 0.00 1.59 1.70 0.93 0.80 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 0.00 144 N 7.38 4.79 0.00 2.45 2.68 0.00 0.00 6.89 7.61 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 0.00 145 Y 7.40 3.85 0.00 2.99 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 0.00 146 Q 8.10 4.17 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 147 L 8.47 4.19 0.00 1.67 1.59 0.96 1.02 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 * Residues marked with a * may have inaccurate shift predictions.