NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2502 8.1749 117.3793 63.1089 69.8084 173.3114 3 I 3.6437 8.2943 127.2348 59.2067 36.9503 175.6722 4 F 4.3527 9.0315 122.3928 55.8022 37.1992 170.9565 5 E 3.6253 8.4233 130.1217 56.4327 28.8608 176.6402 6 K 3.8669 7.8590 127.7219 56.4357 32.3716 177.8437 7 K 4.3732 6.9435 118.0477 52.9026 31.6005 172.9548 8 P 3.9995 0.0000 0.0000 62.0973 31.9758 175.4944 9 D 4.4874 8.2322 122.9931 53.4023 42.0409 176.3096 10 F 5.0339 8.4487 123.6147 57.6532 39.6735 177.5998 11 T 3.9227 8.0548 116.9567 66.8098 68.4639 175.8504 12 L 4.0761 7.9258 121.5541 58.0042 42.1715 178.5289 13 F 4.2281 8.3043 120.1939 61.4434 39.3716 177.0178 14 L 3.7831 8.3804 118.7684 57.5150 41.3805 179.3875 15 Q 4.0861 8.3789 119.8067 58.5718 28.5954 179.1564 16 T 3.7938 7.5678 110.2847 64.3659 68.9196 176.3927 17 L 3.6705 7.7905 123.9129 57.7942 42.0864 179.1633 18 S 3.1206 7.5705 114.1315 60.9348 62.7354 176.4122 19 W 3.8704 7.9881 122.7792 59.1852 28.6362 178.1379 20 E 3.9832 8.4615 119.3514 59.3711 29.1393 178.9840 21 I 3.7998 8.0178 120.0341 64.6058 37.1557 178.1806 22 D 4.4573 8.1239 119.4062 57.4963 40.3327 178.7034 23 D 4.3233 7.8464 118.4025 57.1731 40.8774 178.1940 24 Q 4.2954 7.6425 117.5890 57.6277 29.1473 177.1657 25 V 4.2403 7.8430 109.5504 59.5308 34.1166 176.6504 26 G 4.0222 7.7282 105.5510 45.2719 0.0000 174.7851 27 I 3.6318 8.1731 118.5568 64.4112 37.1586 178.4182 28 E 3.8711 8.1052 119.6290 59.2007 29.4959 178.7127 29 V 3.6909 7.6235 117.6550 65.3832 31.7950 177.6570 30 R 3.8568 7.9453 118.6183 59.6918 29.8656 178.3070 31 N 4.1953 8.2448 116.1554 56.1698 38.4592 177.3960 32 E 3.9019 8.0234 119.6730 59.0536 29.4939 178.8279 33 L 3.8829 7.8216 120.3571 58.3456 42.1015 178.8994 34 L 3.8165 7.7961 118.6199 57.9412 41.4676 179.7948 35 R 3.9781 7.9936 117.7832 59.2594 30.0268 178.6673 36 E 3.8453 8.2218 119.0010 59.2615 29.3991 179.0114 37 V 3.6360 7.7878 117.4120 65.8489 31.6418 177.7596 38 G 3.6231 7.8973 104.4673 47.9156 0.0000 175.3867 39 R 4.2415 7.8685 119.6419 58.7056 30.3374 180.2617 40 G 3.7446 7.8747 102.9550 45.1924 0.0000 175.0673 *42 G 3.8399 8.0349 108.8931 44.7945 0.0000 174.1155 43 T 4.5040 7.8507 108.7859 61.4190 69.3118 175.1459 44 R 4.4847 8.0265 121.1101 56.7962 32.3356 175.9825 45 I 4.5089 7.4524 108.6556 58.1192 40.3556 172.6194 *47 P 3.9126 0.0000 0.0000 61.7003 32.0536 174.0975 48 P 4.4685 0.0000 0.0000 60.9828 32.2921 174.0174 49 P 4.2428 0.0000 0.0000 63.2252 31.3419 175.9013 50 C 4.7709 8.4057 121.1534 58.1011 30.5531 175.1497 51 Q 4.1241 8.5309 121.8645 57.9917 29.1141 176.1398 52 T 4.9094 7.4004 106.7014 58.6742 73.1788 174.5687 53 V 3.5320 8.3687 121.8897 66.6709 31.3434 177.8670 54 D 4.3199 8.1138 116.8189 57.3562 41.0104 178.3000 55 K 3.9849 7.8463 118.8717 59.0359 32.0885 178.9661 56 L 3.8855 8.0833 120.8426 58.1664 42.0129 178.4824 57 Q 3.9395 8.2913 119.7520 59.5944 28.8128 178.6408 58 I 3.6931 7.4329 120.4675 64.6459 37.0329 178.3325 59 E 3.8873 8.1328 119.1092 59.2583 29.2473 179.3205 60 L 3.5932 8.3467 119.3382 57.9407 41.7470 179.4662 61 N 4.4217 8.3720 115.9675 56.0881 38.4102 177.3722 62 A 4.0416 7.8219 122.2159 54.7715 18.1406 179.7592 63 L 3.8672 7.5453 117.7813 57.9919 41.6049 179.6624 64 L 4.3282 8.2300 118.7913 57.7851 41.3224 179.4638 65 A 4.0691 8.0369 120.0750 55.0089 18.3792 179.1488 66 L 4.1081 7.7893 117.8720 57.1695 42.2024 177.5057 67 I 4.4493 7.0120 109.2714 59.4869 38.6630 175.2668 68 G 3.9408 8.5079 109.3857 47.3203 0.0000 174.2894 69 W 4.6747 8.5713 116.1101 56.2004 29.9551 176.2544 70 G 4.0167 8.7288 104.2976 44.0129 0.0000 173.1269 71 T 5.1539 8.3834 108.6948 59.9912 72.5355 173.6574 72 V 5.1224 9.2840 122.4970 60.2307 34.7853 174.8276 73 T 4.9065 8.6353 111.9272 59.9511 72.0888 172.5146 74 L 5.2580 9.0829 123.5145 53.0063 44.8264 175.6689 75 E 4.6357 8.8873 123.2266 54.3005 33.1755 174.2633 76 L 4.3968 8.6679 127.1239 54.6435 42.8066 176.4697 77 L 4.6660 9.0367 124.6550 52.9239 43.5129 177.6577 78 S 4.1104 8.7396 119.8733 61.2737 63.5240 176.6131 79 E 3.8804 8.3210 119.4872 58.9308 29.1783 177.3895 80 D 4.4510 8.0926 114.6578 53.8335 42.1890 175.3366 81 Q 3.4496 7.9681 117.0763 56.9817 26.7803 172.4562 82 S 4.7500 8.3326 111.1400 57.2428 67.3816 174.1920 83 L 5.0188 8.4534 122.4143 53.3696 44.2770 174.7786 84 R 4.1442 9.2248 127.5483 55.2103 31.8660 174.8214 85 I 4.6595 7.8253 126.1718 59.4342 40.3499 174.4482 86 V 4.4285 8.4179 127.8482 61.4562 33.6157 173.3859 87 H 5.2541 9.3874 129.4183 54.7723 31.6545 173.4960 88 E 4.8598 9.3540 125.2506 54.8003 32.4878 175.5558 89 N 4.2629 8.6798 117.4322 53.7107 36.0387 175.0696 90 L 3.9463 7.9282 118.7009 54.6685 42.9225 174.8185 91 P 4.1041 0.0000 0.0000 62.7679 31.7565 175.2422 92 Q 4.6523 8.3373 122.8744 54.0241 30.8939 175.9957 93 V 4.3089 8.2866 125.4112 62.0662 32.3170 174.9477 94 G 3.8033 7.9521 109.5557 44.9868 0.0000 173.1482 95 S 4.5806 8.6402 111.6815 58.2380 64.1627 174.0157 96 A 3.8332 7.7120 124.8493 52.8577 18.7323 177.0724 97 G 4.2338 9.0325 105.5620 45.1039 0.0000 173.0521 98 E 4.4783 8.2148 119.1431 53.2134 31.5255 173.8715 99 P 4.5678 0.0000 0.0000 61.8129 32.4571 175.7589 100 S 4.7630 7.7830 114.4573 59.8688 62.9608 175.0236 101 G 4.3867 9.1857 113.3529 45.1806 0.0000 174.5435 102 T 4.4312 7.5868 109.5062 60.7625 69.3749 176.5805 103 W 4.1731 8.6627 134.1332 61.7321 30.9280 176.7832 104 L 4.1047 8.1007 115.9390 55.9707 41.7772 178.4184 105 A 3.9874 8.0898 121.9477 55.0680 18.0674 177.9476 106 P 4.4311 0.0000 0.0000 64.8771 31.2427 178.7285 107 V 3.6998 7.6390 117.2355 66.1584 31.2579 178.0903 108 L 3.8399 7.9440 118.6456 57.6189 40.9155 179.1835 109 E 4.1109 8.1559 118.3031 59.4233 29.4447 179.5835 110 G 3.4954 7.7683 105.8284 47.4894 0.0000 175.5630 111 L 3.3883 7.7562 122.9861 58.0282 42.1002 178.7306 112 Y 4.4536 8.1882 117.0038 60.9224 37.5163 178.8789 113 G 3.7087 7.9660 106.1604 47.8208 0.0000 175.3660 114 R 4.1381 7.5939 120.0121 58.8789 30.2760 178.2682 115 W 4.6199 8.5203 118.0801 58.8608 29.2565 177.8670 116 V 4.2405 7.9537 116.4717 62.3750 31.6003 175.8382 117 T 4.1273 7.5742 109.1926 62.9977 69.2292 174.2980 118 S 4.7038 8.9444 121.3719 60.0613 60.2702 169.9258 119 Q 4.5286 7.9106 119.6391 55.2498 31.0865 174.8372 120 A 4.1022 8.6558 126.0250 52.9068 16.6854 177.2948 121 G 3.7611 8.3401 103.3098 48.5107 0.0000 174.8332 122 A 4.7148 7.7206 121.0971 49.9013 20.6766 176.2113 123 F 5.1637 10.2131 124.9977 56.3017 41.8837 175.0603 124 G 3.1999 7.5809 115.8967 45.2971 0.0000 170.6404 125 D 4.5436 7.4832 122.0938 53.0409 42.0611 176.0008 126 Y 5.3202 8.3452 122.7207 56.0404 41.2589 175.4296 127 V 4.4706 8.9136 121.7325 61.1567 34.4123 174.9513 128 V 4.4970 8.5464 127.9022 62.0693 32.0911 174.9007 129 T 4.9590 8.8021 118.3249 59.7901 71.6160 173.6913 130 R 4.4716 8.8178 123.7120 56.0216 31.5517 175.4917 131 D 4.9244 8.8251 124.3573 52.1747 43.0398 176.6177 132 V 3.8032 8.4891 127.5383 64.3434 31.8595 177.6132 133 D 4.2284 8.1945 118.5075 56.8688 41.2254 177.8453 134 A 4.0207 8.5806 121.6144 55.3577 18.5009 179.2604 135 E 3.9902 8.0221 116.8031 59.7501 29.3683 179.6743 136 D 4.2930 7.6015 118.3048 57.3342 40.9293 178.4901 137 L 4.0430 7.6290 118.2495 57.3542 42.1034 178.0153 138 N 4.4263 7.7664 114.4664 53.6236 39.6320 174.6050 139 A 3.7475 8.0178 122.5399 52.9606 16.4733 177.7785 140 V 3.8379 7.6996 120.4137 60.5103 33.0000 175.2427 141 P 4.4041 0.0000 0.0000 62.5494 31.9750 177.3266 142 R 3.8594 8.6468 120.2097 59.7013 30.2221 177.3973 143 Q 4.4692 8.0550 114.6758 56.0945 28.8442 174.2141 144 T 5.0760 7.6582 115.7266 62.2160 70.0544 174.2486 145 I 4.6598 9.1389 127.4821 59.6461 40.1665 175.1588 146 I 4.9526 8.5263 127.2145 59.3955 40.2069 174.7789 *148 Y 4.9540 7.7455 118.4956 58.2012 40.1607 174.6585 *150 R 4.4401 8.3648 118.5737 56.3985 31.5028 175.2266 151 V 4.0072 8.4553 119.2158 61.9125 31.6413 176.0318 152 R 3.9973 8.7155 123.6946 56.8120 30.4354 176.0644 153 S 4.5699 8.7955 121.2097 60.2655 64.0683 175.1082 154 S 4.3717 7.8786 110.8515 59.7123 65.8715 174.6805 155 A 4.1948 7.9413 122.5038 52.2956 18.7508 177.2783 156 T 4.0838 8.2429 118.7830 64.2599 69.4612 173.4491 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 2 T 8.17 4.25 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 1.25 0.00 0.00 3 I 8.29 3.64 1.85 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 1.48 0.08 0.84 0.00 0.00 4 F 9.03 4.35 0.00 3.27 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 5 E 8.42 3.63 0.00 1.93 1.84 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 2.42 2.24 0.00 6 K 7.86 3.87 0.00 1.17 1.51 0.00 1.50 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.34 7.81 7 K 6.94 4.37 0.00 1.64 1.62 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.30 7.81 8 P 0.00 4.00 0.00 1.33 1.62 0.00 3.52 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 9 D 8.23 4.49 0.00 2.51 2.46 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 10 F 8.45 5.03 0.00 3.24 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 11 T 8.05 3.92 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 1.27 0.00 0.00 12 L 7.93 4.08 0.00 1.69 1.70 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.30 4.23 0.00 3.26 3.36 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 14 L 8.38 3.78 0.00 2.09 1.64 1.06 1.55 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 15 Q 8.38 4.09 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 16 T 7.57 3.79 4.13 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 1.11 0.00 0.00 17 L 7.79 3.67 0.00 1.00 1.31 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.57 3.12 0.00 2.72 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 19 W 7.99 3.87 0.00 3.39 3.31 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 20 E 8.46 3.98 0.00 2.16 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 0.00 2.31 2.41 0.00 21 I 8.02 3.80 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.76 1.06 0.00 0.00 22 D 8.12 4.46 0.00 2.77 2.65 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 23 D 7.85 4.32 0.00 2.96 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 24 Q 7.64 4.30 0.00 2.01 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 25 V 7.84 4.24 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 0.70 0.00 0.00 1.04 0.00 0.00 26 G 7.73 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 27 I 8.17 3.63 1.85 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 1.51 0.53 0.88 0.00 0.00 28 E 8.11 3.87 0.00 2.05 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 2.36 2.40 0.00 29 V 7.62 3.69 2.07 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 0.98 0.00 0.00 0.92 0.00 0.00 30 R 7.95 3.86 0.00 1.97 2.09 0.00 3.04 0.00 0.00 3.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.61 0.00 31 N 8.24 4.20 0.00 2.91 2.76 0.00 0.00 7.08 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 32 E 8.02 3.90 0.00 1.97 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 2.29 2.43 0.00 33 L 7.82 3.88 0.00 1.81 1.86 0.92 0.59 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 34 L 7.80 3.82 0.00 1.46 1.46 -0.31 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.99 3.98 0.00 1.96 1.93 0.00 3.28 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 36 E 8.22 3.85 0.00 2.24 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 2.28 2.33 0.00 37 V 7.79 3.64 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 0.84 0.00 0.00 0.94 0.00 0.00 38 G 7.90 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.87 4.24 0.00 1.93 1.95 0.00 3.19 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 40 G 7.87 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 *42 G 8.03 3.84 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 0.00 0.00 0.00 43 T 7.85 4.50 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 1.23 0.00 0.00 44 R 8.03 4.48 0.00 1.78 1.97 0.00 3.12 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 45 I 7.45 4.51 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.05 0.93 0.00 0.00 *47 P 0.00 3.91 0.00 2.05 1.75 0.00 3.60 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 48 P 0.00 4.47 0.00 2.17 2.07 0.00 3.66 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 49 P 0.00 4.24 0.00 2.06 2.07 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 50 C 8.41 4.77 0.00 2.96 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 51 Q 8.53 4.12 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 52 T 7.40 4.91 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 1.21 0.00 0.00 53 V 8.37 3.53 2.07 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 1.09 0.00 0.00 0.91 0.00 0.00 54 D 8.11 4.32 0.00 2.82 2.64 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 55 K 7.85 3.98 0.00 1.95 1.81 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 56 L 8.08 3.89 0.00 1.74 1.85 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.29 3.94 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 58 I 7.43 3.69 1.99 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 1.51 1.22 0.89 0.00 0.00 59 E 8.13 3.89 0.00 2.02 1.84 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 2.45 2.43 0.00 60 L 8.35 3.59 0.00 1.84 1.93 1.31 0.39 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 61 N 8.37 4.42 0.00 2.85 2.89 0.00 0.00 6.95 6.57 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 62 A 7.82 4.04 1.30 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 63 L 7.55 3.87 0.00 1.45 1.47 0.75 -0.22 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 64 L 8.23 4.33 0.00 1.87 2.01 1.24 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.04 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 4.11 0.00 1.83 2.00 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.01 4.45 1.85 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 0.88 0.00 0.00 68 G 8.51 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 69 W 8.57 4.67 0.00 3.28 3.38 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 70 G 8.73 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 71 T 8.38 5.15 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 1.24 0.00 0.00 72 V 9.28 5.12 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 0.99 0.00 0.00 0.80 0.00 0.00 73 T 8.64 4.91 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 1.20 0.00 0.00 74 L 9.08 5.26 0.00 1.46 1.52 0.96 0.91 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 75 E 8.89 4.64 0.00 1.96 1.68 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 2.18 2.25 0.00 76 L 8.67 4.40 0.00 1.55 1.59 0.90 0.94 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 77 L 9.04 4.67 0.00 1.59 1.62 1.10 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.74 4.11 0.00 4.01 4.13 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 79 E 8.32 3.88 0.00 1.99 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 0.00 2.33 2.32 0.00 80 D 8.09 4.45 0.00 2.63 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 81 Q 7.97 3.45 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.44 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 82 S 8.33 4.75 0.00 4.03 3.99 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 83 L 8.45 5.02 0.00 1.71 1.49 0.89 0.68 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 84 R 9.22 4.14 0.00 1.71 1.63 0.00 2.91 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.00 85 I 7.83 4.66 1.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.10 0.21 0.00 0.00 86 V 8.42 4.43 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 0.91 0.00 0.00 0.83 0.00 0.00 87 H 9.39 5.25 0.00 3.33 3.32 0.00 5.79 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 88 E 9.35 4.86 0.00 1.89 1.82 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 2.24 2.26 0.00 89 N 8.68 4.26 0.00 2.89 2.89 0.00 0.00 6.89 7.85 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 90 L 7.93 3.95 0.00 1.61 1.68 0.81 0.76 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 91 P 0.00 4.10 0.00 1.44 1.61 0.00 2.92 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 0.49 1.53 0.00 92 Q 8.34 4.65 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.48 0.00 0.00 0.00 0.00 0.00 2.28 2.60 0.00 93 V 8.29 4.31 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 0.87 0.00 0.00 0.97 0.00 0.00 94 G 7.95 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 95 S 8.64 4.58 0.00 4.10 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 96 A 7.71 3.83 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 97 G 9.03 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 0.00 0.00 0.00 0.00 98 E 8.21 4.48 0.00 1.86 1.82 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 2.16 2.31 0.00 99 P 0.00 4.57 0.00 2.27 2.18 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 100 S 7.78 4.76 0.00 3.90 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 0.00 101 G 9.19 4.39 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 0.00 102 T 7.59 4.43 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 1.29 0.00 0.00 103 W 8.66 4.17 0.00 3.40 3.34 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 0.00 104 L 8.10 4.10 0.00 1.77 1.61 1.29 0.93 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 0.00 105 A 8.09 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 0.00 106 P 0.00 4.43 0.00 1.98 1.99 0.00 3.78 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 1.95 1.87 0.00 107 V 7.64 3.70 2.36 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 1.04 0.00 0.00 0.98 0.00 0.00 108 L 7.94 3.84 0.00 2.11 1.92 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.16 4.11 0.00 2.15 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 0.00 2.43 2.39 0.00 110 G 7.77 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.76 3.39 0.00 1.28 1.07 -0.23 0.03 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 0.00 112 Y 8.19 4.45 0.00 3.13 2.98 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 0.00 113 G 7.97 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 0.00 114 R 7.59 4.14 0.00 1.86 1.92 0.00 3.33 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 115 W 8.52 4.62 0.00 3.43 3.17 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 0.00 116 V 7.95 4.24 2.25 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 0.86 0.00 0.00 1.17 0.00 0.00 117 T 7.57 4.13 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 1.39 0.00 0.00 118 S 8.94 4.70 0.00 4.18 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 0.00 119 Q 7.91 4.53 0.00 2.27 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.31 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 120 A 8.66 4.10 1.33 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 0.00 0.00 0.00 121 G 8.34 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 0.00 122 A 7.72 4.71 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 0.00 123 F 10.21 5.16 0.00 2.91 3.02 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 0.00 124 G 7.58 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 0.00 0.00 0.00 125 D 7.48 4.54 0.00 2.56 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 0.00 0.00 0.00 0.00 126 Y 8.35 5.32 0.00 2.89 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 0.00 127 V 8.91 4.47 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 0.77 0.00 0.00 1.00 0.00 0.00 128 V 8.55 4.50 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 0.92 0.00 0.00 1.00 0.00 0.00 129 T 8.80 4.96 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 1.24 0.00 0.00 130 R 8.82 4.47 0.00 2.00 1.89 0.00 3.20 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 131 D 8.83 4.92 0.00 3.05 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 0.00 132 V 8.49 3.80 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 0.81 0.00 0.00 0.94 0.00 0.00 133 D 8.19 4.23 0.00 2.77 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 0.00 134 A 8.58 4.02 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 0.00 135 E 8.02 3.99 0.00 2.02 2.05 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 2.35 2.39 0.00 136 D 7.60 4.29 0.00 3.07 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 0.00 137 L 7.63 4.04 0.00 1.69 1.71 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 138 N 7.77 4.43 0.00 3.06 2.87 0.00 0.00 6.97 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 0.00 139 A 8.02 3.75 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 0.00 140 V 7.70 3.84 2.25 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 0.76 0.00 0.00 0.94 0.00 0.00 141 P 0.00 4.40 0.00 2.21 2.03 0.00 3.61 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 2.12 2.09 0.00 142 R 8.65 3.86 0.00 1.76 1.97 0.00 3.36 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 143 Q 8.05 4.47 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 144 T 7.66 5.08 4.41 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 1.26 0.00 0.00 145 I 9.14 4.66 1.91 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 1.26 0.98 0.93 0.00 0.00 146 I 8.53 4.95 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 1.20 1.64 0.76 0.00 0.00 *148 Y 7.75 4.95 0.00 2.94 2.98 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 *150 R 8.36 4.44 0.00 1.97 1.96 0.00 3.16 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 151 V 8.46 4.01 2.16 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 0.69 0.00 0.00 0.77 0.00 0.00 152 R 8.72 4.00 0.00 1.76 1.82 0.00 3.32 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 153 S 8.80 4.57 0.00 3.89 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 0.00 154 S 7.88 4.37 0.00 3.78 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 0.00 155 A 7.94 4.19 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 0.00 156 T 8.24 4.08 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 * Residues marked with a * may have inaccurate shift predictions.