NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7187 8.1633 120.6118 55.3987 34.0835 173.9939 2 K 5.0389 8.9142 124.5266 54.2225 36.4196 173.5823 3 A 5.0977 9.3433 124.2318 50.4541 23.6907 174.7720 4 V 4.6297 8.6725 121.5760 61.1829 33.9311 174.5402 5 V 4.8848 8.9811 128.4726 61.2523 33.8767 174.0435 6 Q 5.1374 9.0047 127.0900 53.9396 31.9524 174.8408 7 R 4.5332 8.8412 124.9452 56.2514 31.4642 175.5351 8 V 5.1282 9.1005 119.5542 59.8857 34.9701 176.7115 9 T 4.2684 8.7049 114.1977 64.1919 69.7655 174.5700 10 R 4.9791 8.0490 115.9207 56.6295 32.7143 173.4861 11 A 5.2272 8.5738 119.8280 51.4838 23.1123 175.3931 12 S 4.9541 9.0833 113.5752 57.3526 67.2703 173.0642 13 V 4.9033 8.7870 120.4723 61.3932 34.1269 174.1779 14 T 5.1091 8.9167 121.6208 60.2488 71.2671 172.8176 15 V 4.1980 8.4262 126.3829 61.2076 34.3391 175.4229 16 G 3.7208 9.7592 116.1150 46.4274 0.0000 173.8355 17 G 3.8785 7.6292 106.8427 44.6088 0.0000 174.0987 18 E 4.0211 7.9518 122.0866 55.3263 29.9438 175.3426 19 Q 4.2849 8.5973 128.0597 56.3410 29.4277 175.1786 20 I 4.2557 8.7965 127.7857 63.6471 37.9564 176.1872 21 S 4.7370 7.7677 113.6286 57.8675 66.2226 172.7266 22 A 5.0775 8.1500 119.9166 51.0501 21.9159 175.4882 23 I 4.7538 9.0873 114.2477 58.2950 41.6469 176.1145 24 G 4.2095 9.4888 114.6196 44.9945 0.0000 175.5430 25 R 4.3301 8.4132 124.1116 54.9747 31.4834 176.0153 26 G 4.5235 7.0907 110.1371 46.0987 0.0000 172.6936 27 I 5.1777 8.7204 124.9043 59.3102 41.8113 172.7509 28 C 5.2137 9.2081 129.7022 57.8105 33.5767 172.1887 29 V 4.7931 9.1585 126.8660 61.2010 33.7532 174.0409 30 L 4.9629 9.1381 128.7326 53.2380 43.6427 175.1216 31 L 4.7071 9.1043 127.7951 53.2815 44.2065 175.3488 32 G 4.3562 9.3063 115.3539 45.6358 0.0000 171.8717 33 I 4.7152 8.1581 128.4740 59.5901 38.9429 175.7828 34 S 4.9518 9.3803 122.4438 56.8108 64.8104 175.1804 35 L 3.8980 8.6081 122.0260 58.3373 41.4510 178.8389 36 E 4.2305 7.9375 115.1132 57.3270 29.8083 176.9719 37 D 4.5086 7.6298 119.4692 54.6096 41.5163 175.7252 38 T 4.8963 8.1846 114.7597 59.7277 72.1407 174.1822 39 Q 3.9438 8.7168 121.5376 59.0178 28.7452 177.9950 40 K 3.9153 8.0864 120.1170 59.8271 32.2784 178.5300 41 E 4.0436 8.2426 118.2097 58.9702 29.4562 178.6721 42 L 4.3182 8.2568 120.6443 58.6169 42.1740 179.0039 43 E 4.0005 8.5816 118.5127 59.7552 29.4416 179.1636 44 H 4.1475 8.6484 116.4129 59.0931 28.7957 177.6073 45 M 4.1739 8.7666 120.5189 58.4412 32.1160 178.1853 46 V 3.5206 8.0253 118.5183 66.2230 31.6180 178.1407 47 R 3.8953 7.9126 117.4378 59.2954 29.7366 179.1930 48 K 3.9899 8.1483 118.0821 59.5746 31.8312 179.5343 49 I 3.8051 7.6970 118.8497 64.4803 36.9137 178.3484 50 L 4.0617 8.1302 119.5363 56.7491 41.2345 178.1364 51 N 4.8990 7.6001 113.5662 51.6912 39.6260 174.6822 52 L 3.9819 7.3559 124.3118 55.2573 42.5523 176.3315 53 R 4.4062 8.5192 126.8479 55.2404 28.6531 176.5854 54 V 4.7502 8.1024 119.3613 61.2222 33.1853 175.7023 55 F 5.0025 8.3477 120.6289 55.7980 41.8220 175.0720 56 E 5.3458 8.9803 120.4500 55.4571 30.7028 176.5233 57 D 4.6867 8.3039 122.0460 52.1219 41.1192 176.9148 58 E 3.8994 8.5832 119.0515 59.3652 29.5782 177.9905 59 S 4.1627 8.0392 113.3426 59.8419 63.0785 175.0523 60 G 3.9087 8.3295 108.6906 44.5265 0.0000 173.6154 61 K 3.8624 8.0859 122.0884 56.6952 32.5710 176.2297 62 H 4.1604 8.4158 122.9718 56.0484 29.1975 174.3860 63 W 4.5264 8.1110 117.6770 57.6409 26.2259 175.3667 64 S 4.7951 8.2459 111.8698 57.9400 64.2670 174.0761 65 K 4.7852 7.7966 120.8176 53.9854 35.7381 176.2383 66 S 5.4858 9.4000 120.7106 56.7074 65.6694 175.6341 67 V 3.5711 8.4970 121.2635 65.4599 30.8539 178.2691 68 M 3.6567 7.2953 115.8857 57.9090 31.5271 178.2128 69 D 4.3379 7.6069 117.7778 57.3636 41.1365 178.6262 70 K 3.6650 7.5210 115.9272 55.9980 32.5065 176.7218 71 Q 3.9509 7.2797 116.2466 56.0564 26.7571 172.7813 72 Y 4.9382 7.8376 114.6306 57.2674 40.5164 175.6117 73 E 4.9702 8.7572 119.3958 55.4119 32.5637 175.6119 74 I 5.1596 8.9431 121.8754 59.6207 40.9998 174.3459 75 L 5.0638 9.2516 130.0016 53.8235 43.8814 174.5606 76 C 5.4235 9.1579 125.0061 58.2208 30.8658 173.2971 77 V 4.8693 8.9015 122.8488 60.8985 34.6568 174.6865 78 S 4.4894 8.2714 122.4511 58.6318 63.8891 174.5284 79 Q 4.3971 9.1648 124.5799 54.6947 29.9043 174.7391 80 F 4.2690 8.3738 119.5519 58.7459 38.5913 178.2622 81 T 3.8100 6.7952 115.1537 64.5359 67.2293 175.0275 82 L 4.0343 7.7869 120.1607 57.1224 42.3099 177.3767 83 Q 4.3642 7.7508 122.2554 55.0095 27.5805 174.3432 84 C 4.9020 7.5279 118.4305 57.6471 33.9252 172.3957 85 V 3.8477 7.1362 121.8405 59.5013 33.0601 179.2887 *86 L 4.3122 8.7117 116.2541 52.8112 37.4488 177.0117 87 K 4.2801 9.4027 114.2986 56.6504 29.3100 173.8935 88 G 4.2596 6.8035 108.2859 44.6033 0.0000 174.1327 89 N 4.5104 8.5127 117.8866 55.1767 37.4635 175.7567 90 K 4.1123 7.2347 117.9224 55.2089 32.3458 175.1567 91 P 4.1974 0.0000 0.0000 62.1128 32.0723 175.2576 92 D 4.5761 7.9582 120.2618 52.5573 43.8891 175.9608 93 F 5.3788 8.3806 124.4686 57.5269 39.6288 177.4137 94 H 4.3479 8.4882 119.1605 58.2191 28.4935 176.4685 95 L 4.0461 7.6592 119.2665 56.3604 42.0310 176.3883 96 A 4.6224 7.6937 120.8951 51.4784 19.0552 177.3037 97 M 4.0656 8.4686 122.3783 54.9542 32.9046 174.4272 98 P 4.2323 0.0000 0.0000 63.3103 32.4694 177.2198 99 T 3.9398 8.7782 117.0312 65.2807 66.8647 176.2737 100 E 3.9706 8.0237 118.5960 59.4396 30.1680 178.3608 101 Q 4.1312 8.0341 119.9069 58.4014 29.3246 177.4525 102 A 4.1119 8.3954 122.2878 54.9025 18.2916 179.2284 103 E 2.5849 7.9860 117.6828 58.9761 29.5705 179.2457 104 G 3.6137 7.9442 105.2116 47.6933 0.0000 175.0305 105 F 3.9409 8.3536 123.2079 61.1520 39.3676 176.3075 106 Y 4.3664 8.7253 119.4428 61.0588 38.6033 177.8723 107 N 4.2475 8.5601 117.4638 56.6363 38.7231 177.5238 108 S 4.0570 8.3175 116.6577 61.4239 62.8429 176.5564 109 F 3.9809 8.4966 123.6589 61.3397 39.2023 177.1747 110 L 3.8722 8.1771 118.9360 57.7479 41.2750 179.1983 111 E 3.8896 8.2167 119.3060 59.1488 29.6597 178.6586 112 Q 3.8203 7.9884 119.7718 58.8312 29.1259 177.9328 113 L 3.7907 7.5372 121.4100 58.1979 41.9051 179.2634 114 R 3.9422 7.7586 117.0154 59.0466 30.0812 178.8999 115 K 4.1149 8.1523 118.2008 59.5858 32.7036 178.5041 116 T 4.3114 7.6676 108.2438 61.3840 70.0836 174.6350 117 Y 5.0040 8.4068 120.9299 57.8876 38.8772 177.4531 118 R 4.7435 7.6177 117.0898 52.9639 33.1807 173.8594 119 P 4.2253 0.0000 0.0000 65.7526 31.2473 178.1422 120 E 4.0496 7.9604 115.0117 57.9285 30.0205 177.0895 121 L 4.4006 7.6174 118.4069 54.5481 42.1813 175.2741 122 I 5.0361 7.4076 120.1499 59.4719 38.9285 175.2574 123 K 4.8408 9.2514 125.9666 54.6254 36.1522 174.5643 124 D 5.7106 8.0520 120.1597 51.4080 44.6073 176.2588 125 G 4.0972 8.6821 112.8176 46.0666 0.0000 173.8649 126 K 4.5912 8.2422 124.7025 55.2454 33.4630 177.6901 127 F 3.6309 8.2238 128.1080 60.6763 40.1732 176.5035 128 G 3.8219 8.0644 106.4915 45.0003 0.0000 172.9745 129 A 4.3289 7.7998 122.7586 50.9122 19.7103 177.5632 130 Y 4.5666 8.4084 121.0529 57.4290 38.3776 174.5587 131 M 4.8421 8.5024 126.4646 53.6486 35.3873 175.4473 132 Q 4.4049 8.6838 120.4491 54.3520 31.0892 174.9552 133 V 4.5453 8.2881 124.9948 61.5914 32.7568 174.7998 134 H 4.5745 9.2836 127.5507 55.2099 29.8120 174.8242 135 I 4.5183 8.3548 124.6410 59.7085 39.6416 175.8533 136 Q 4.3243 8.7563 130.7306 54.5492 28.5041 172.3201 137 N 4.8524 8.3765 121.8706 53.1451 39.8022 173.8634 138 D 4.3123 9.6522 128.6966 55.8298 40.3442 174.9971 139 G 4.0655 8.6767 120.0172 45.0847 0.0000 169.8904 140 P 4.5228 0.0000 0.0000 61.6084 32.6603 175.7898 141 V 4.5382 9.2030 119.1837 61.6448 34.5794 174.4108 142 T 5.1632 8.5513 123.5427 62.0833 72.4015 173.2849 143 I 4.5557 9.0601 126.9144 59.4572 40.9916 174.2011 144 E 4.9501 8.7891 126.0194 55.2140 30.6899 175.4929 145 L 4.9239 9.0012 124.5222 53.0015 45.3968 175.2181 146 E 4.6111 8.4604 121.6581 55.3986 32.4836 173.7061 147 S 4.3371 9.6658 122.7663 58.4840 61.8121 174.8153 148 P 4.1070 0.0000 0.0000 65.0777 32.1973 176.0857 149 A 4.2246 7.8992 124.9221 52.3628 19.2581 175.3918 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 8.16 4.72 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.56 0.00 2 K 8.91 5.04 0.00 1.69 1.63 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.46 7.81 3 A 9.34 5.10 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 4 V 8.67 4.63 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 0.84 0.00 0.00 0.92 0.00 0.00 5 V 8.98 4.88 2.19 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 0.90 0.00 0.00 0.98 0.00 0.00 6 Q 9.00 5.14 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 7 R 8.84 4.53 0.00 1.77 1.77 0.00 2.79 0.00 0.00 2.94 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 8 V 9.10 5.13 2.34 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 0.76 0.00 0.00 1.02 0.00 0.00 9 T 8.70 4.27 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 1.27 0.00 0.00 10 R 8.05 4.98 0.00 1.97 2.00 0.00 3.16 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 11 A 8.57 5.23 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 12 S 9.08 4.95 0.00 3.96 3.91 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 13 V 8.79 4.90 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 1.01 0.00 0.00 0.97 0.00 0.00 14 T 8.92 5.11 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 1.29 0.00 0.00 15 V 8.43 4.20 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 0.93 0.00 0.00 16 G 9.76 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 0.00 0.00 0.00 17 G 7.63 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 18 E 7.95 4.02 0.00 2.03 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 0.00 2.30 2.24 0.00 19 Q 8.60 4.28 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 20 I 8.80 4.26 2.00 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 1.42 0.97 0.95 0.00 0.00 21 S 7.77 4.74 0.00 3.88 3.96 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 22 A 8.15 5.08 1.20 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 23 I 9.09 4.75 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.95 0.00 0.00 24 G 9.49 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 25 R 8.41 4.33 0.00 0.82 0.91 0.00 2.98 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.38 0.00 26 G 7.09 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.72 5.18 2.08 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 1.23 1.65 1.17 0.00 0.00 28 C 9.21 5.21 0.00 3.07 2.81 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 0.00 0.00 0.00 0.00 29 V 9.16 4.79 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 1.12 0.00 0.00 1.06 0.00 0.00 30 L 9.14 4.96 0.00 1.57 1.54 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 L 9.10 4.71 0.00 1.72 1.58 0.69 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 0.00 0.00 0.00 0.00 32 G 9.31 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 33 I 8.16 4.72 1.76 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.21 0.00 0.00 34 S 9.38 4.95 0.00 3.91 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 0.00 35 L 8.61 3.90 0.00 1.61 1.79 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.94 4.23 0.00 1.97 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 2.33 2.26 0.00 37 D 7.63 4.51 0.00 2.45 2.39 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 38 T 8.18 4.90 4.32 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 1.36 0.00 0.00 39 Q 8.72 3.94 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 40 K 8.09 3.92 0.00 1.87 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.51 7.81 41 E 8.24 4.04 0.00 2.16 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 0.00 2.60 2.53 0.00 42 L 8.26 4.32 0.00 1.98 1.95 0.40 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.58 4.00 0.00 2.11 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 2.31 2.48 0.00 44 H 8.65 4.15 0.00 3.37 3.42 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 8.77 4.17 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.75 0.00 46 V 8.03 3.52 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 0.83 0.00 0.00 0.36 0.00 0.00 47 R 7.91 3.90 0.00 2.07 1.94 0.00 3.10 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 48 K 8.15 3.99 0.00 2.02 1.89 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.71 7.81 49 I 7.70 3.81 2.09 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.70 1.01 0.00 0.00 50 L 8.13 4.06 0.00 1.64 1.57 0.87 0.47 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 51 N 7.60 4.90 0.00 2.76 2.84 0.00 0.00 6.94 8.74 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 52 L 7.36 3.98 0.00 1.92 1.60 0.91 0.86 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 53 R 8.52 4.41 0.00 2.01 2.04 0.00 3.17 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 54 V 8.10 4.75 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 -0.11 0.00 0.00 0.93 0.00 0.00 55 F 8.35 5.00 0.00 3.26 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 56 E 8.98 5.35 0.00 1.85 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 2.04 1.96 0.00 57 D 8.30 4.69 0.00 2.83 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 58 E 8.58 3.90 0.00 1.92 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 2.29 2.39 0.00 59 S 8.04 4.16 0.00 4.03 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.33 3.91 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 0.00 0.00 0.00 61 K 8.09 3.86 0.00 1.80 1.74 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.42 7.81 62 H 8.42 4.16 0.00 2.46 1.31 0.00 5.93 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 8.11 4.53 0.00 3.47 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.25 4.80 0.00 3.99 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 65 K 7.80 4.79 0.00 1.85 1.69 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.47 7.81 66 S 9.40 5.49 0.00 4.20 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 67 V 8.50 3.57 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 0.73 0.00 0.00 1.17 0.00 0.00 68 M 7.30 3.66 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.81 0.00 69 D 7.61 4.34 0.00 2.85 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 70 K 7.52 3.67 0.00 0.79 0.74 0.00 1.48 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.15 0.44 7.81 71 Q 7.28 3.95 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 72 Y 7.84 4.94 0.00 2.53 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 73 E 8.76 4.97 0.00 1.98 1.91 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 2.27 2.31 0.00 74 I 8.94 5.16 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.12 1.06 0.00 0.00 75 L 9.25 5.06 0.00 1.78 1.61 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 76 C 9.16 5.42 0.00 3.17 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 77 V 8.90 4.87 2.10 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 1.00 0.00 0.00 0.99 0.00 0.00 78 S 8.27 4.49 0.00 3.56 3.05 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 79 Q 9.16 4.40 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 80 F 8.37 4.27 0.00 3.19 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 81 T 6.80 3.81 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 0.96 0.00 0.00 82 L 7.79 4.03 0.00 1.65 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.75 4.36 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 84 C 7.53 4.90 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.14 3.85 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 0.72 0.00 0.00 1.00 0.00 0.00 *86 L 8.71 4.31 0.00 1.63 1.18 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 87 K 9.40 4.28 0.00 1.82 1.83 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.40 7.81 88 G 6.80 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 89 N 8.51 4.51 0.00 2.81 2.96 0.00 0.00 6.11 7.13 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 90 K 7.23 4.11 0.00 1.72 1.76 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.38 7.81 91 P 0.00 4.20 0.00 1.55 1.72 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 92 D 7.96 4.58 0.00 2.52 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 0.00 0.00 0.00 0.00 93 F 8.38 5.38 0.00 3.27 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 94 H 8.49 4.35 0.00 3.27 3.55 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.66 4.05 0.00 1.66 1.70 0.77 0.96 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 96 A 7.69 4.62 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 97 M 8.47 4.07 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 98 P 0.00 4.23 0.00 2.10 1.95 0.00 3.65 0.00 0.00 3.80 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 99 T 8.78 3.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 100 E 8.02 3.97 0.00 2.16 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 0.00 2.28 2.31 0.00 101 Q 8.03 4.13 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 102 A 8.40 4.11 1.55 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 0.00 103 E 7.99 2.58 0.00 1.33 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 2.01 1.48 0.00 104 G 7.94 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 0.00 0.00 0.00 105 F 8.35 3.94 0.00 3.35 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 0.00 106 Y 8.73 4.37 0.00 3.34 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 0.00 107 N 8.56 4.25 0.00 2.92 2.84 0.00 0.00 7.11 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 0.00 108 S 8.32 4.06 0.00 3.78 3.75 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 0.00 109 F 8.50 3.98 0.00 3.25 3.21 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 0.00 110 L 8.18 3.87 0.00 1.74 1.61 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.22 3.89 0.00 2.13 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 2.26 2.30 0.00 112 Q 7.99 3.82 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 113 L 7.54 3.79 0.00 1.76 1.59 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.76 3.94 0.00 1.92 1.94 0.00 3.19 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 115 K 8.15 4.11 0.00 1.87 1.99 0.00 1.55 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.41 7.81 116 T 7.67 4.31 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 1.19 0.00 0.00 117 Y 8.41 5.00 0.00 2.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.62 4.74 0.00 1.17 1.83 0.00 2.99 0.00 0.00 3.50 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.27 0.00 119 P 0.00 4.23 0.00 2.17 2.28 0.00 3.60 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 120 E 7.96 4.05 0.00 2.05 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 0.00 2.17 2.21 0.00 121 L 7.62 4.40 0.00 1.35 1.65 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 122 I 7.41 5.04 1.88 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.96 0.00 0.00 123 K 9.25 4.84 0.00 1.74 1.70 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.41 7.81 124 D 8.05 5.71 0.00 2.74 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 0.00 125 G 8.68 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 0.00 0.00 0.00 0.00 126 K 8.24 4.59 0.00 1.80 1.71 0.00 1.81 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.47 7.81 127 F 8.22 3.63 0.00 3.09 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 0.00 128 G 8.06 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 0.00 0.00 0.00 129 A 7.80 4.33 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 0.00 130 Y 8.41 4.57 0.00 2.78 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 0.00 131 M 8.50 4.84 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 132 Q 8.68 4.40 0.00 1.88 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 133 V 8.29 4.55 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 0.87 0.00 0.00 0.92 0.00 0.00 134 H 9.28 4.57 0.00 3.08 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.35 4.52 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 1.25 0.79 0.98 0.00 0.00 136 Q 8.76 4.32 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 137 N 8.38 4.85 0.00 2.79 2.75 0.00 0.00 7.19 8.47 0.00 0.00 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 D 9.65 4.31 0.00 2.79 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 0.00 139 G 8.68 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 0.00 140 P 0.00 4.52 0.00 2.21 2.08 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 141 V 9.20 4.54 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 1.10 0.00 0.00 1.20 0.00 0.00 142 T 8.55 5.16 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 1.20 0.00 0.00 143 I 9.06 4.56 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.84 0.85 0.00 0.00 144 E 8.79 4.95 0.00 1.82 1.87 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 2.24 2.31 0.00 145 L 9.00 4.92 0.00 1.56 1.55 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.46 4.61 0.00 1.92 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 0.00 2.19 2.50 0.00 147 S 9.67 4.34 0.00 4.03 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 0.00 148 P 0.00 4.11 0.00 2.11 2.09 0.00 4.14 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 149 A 7.90 4.22 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.