NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.1902 8.1749 115.2434 61.9899 67.4677 170.8793 6 L 4.4175 8.1964 122.9145 50.6780 42.4493 175.5818 7 D 4.7923 8.5966 124.6768 51.3435 43.9341 176.2719 8 K 3.7930 8.5603 119.0387 60.4254 31.7377 178.3585 9 T 3.8987 7.9152 115.0446 66.6935 68.1597 176.3699 10 D 4.3781 8.7447 121.1807 57.4309 40.7761 179.0680 11 I 3.6989 7.8496 120.1455 64.1875 37.0623 178.2426 12 K 4.1023 7.8504 121.7178 58.9741 31.9503 178.4477 13 I 3.7018 7.8422 119.9987 64.6212 37.1160 178.2428 14 L 3.9874 7.8634 119.3248 58.0683 41.4307 179.6560 15 Q 4.0262 8.4720 118.3094 58.8947 28.6071 179.2669 16 V 3.5905 8.1610 119.5502 66.1149 31.7419 178.2487 17 L 4.3054 8.1991 118.7564 57.7590 41.1717 179.4687 18 Q 4.1327 8.0286 117.6025 58.9168 28.6799 178.1842 19 E 4.3881 7.6647 118.0621 57.5953 30.6456 176.8149 20 N 4.9803 8.2301 116.1263 50.9597 39.2735 175.0546 21 G 3.9298 8.3950 109.4691 47.4017 0.0000 171.7003 22 R 4.4978 7.6356 119.5112 55.7254 30.5941 175.3450 23 L 4.2217 7.3515 115.6110 53.7187 42.4777 178.0958 24 T 4.0233 8.2537 113.5746 61.6274 70.8301 175.0060 25 N 4.3873 8.7030 120.5474 56.7152 39.0033 177.2163 26 V 3.5374 7.7825 119.3033 66.3073 31.5663 177.8050 27 E 3.9922 8.0929 117.8523 59.0159 29.2533 178.9873 28 L 3.9391 8.5233 121.0392 58.3463 42.2211 179.2475 29 S 4.1259 8.5095 114.4281 61.3217 62.8985 176.0469 30 E 3.8836 8.1097 122.6160 59.3538 29.2550 179.1608 31 R 4.0579 8.0916 116.6308 58.4068 30.1091 178.3943 32 V 4.1199 7.7356 109.8405 59.5455 32.6040 175.6853 33 A 3.8070 7.6602 120.1164 53.5640 16.4554 177.3870 34 L 4.8963 8.1143 118.9483 52.5286 45.9508 178.4014 35 S 4.3392 8.3328 116.7773 57.8291 64.7977 173.8603 36 P 4.2257 0.0000 0.0000 65.9141 31.1503 179.1133 37 S 4.0488 7.9483 111.1661 61.0105 62.5271 173.9874 38 P 4.2529 0.0000 0.0000 65.8559 31.0132 178.0580 39 C 4.1099 8.0558 117.2922 62.4731 31.5003 175.4637 40 L 3.9717 8.1465 122.0060 57.7937 41.6121 178.8866 41 R 3.8361 8.0672 118.8305 59.4630 30.0456 178.5264 42 R 3.9194 7.9731 117.7382 59.2368 30.0775 178.7395 43 L 3.9386 8.0278 119.8576 58.1121 42.1499 178.7204 44 K 3.9016 8.0267 119.4863 59.8090 32.0061 178.6369 45 Q 4.0239 8.2302 118.0808 59.0185 28.7460 178.7284 46 L 3.9878 8.1575 120.0788 57.8277 41.7328 179.5804 47 E 3.9863 8.6570 118.9424 59.5895 29.2583 179.1335 48 D 4.3989 8.4800 117.8790 57.1163 40.9447 178.2248 49 A 4.2253 8.1132 120.0563 53.0324 18.5349 178.4322 50 G 3.9040 7.6400 104.8010 45.4850 0.0000 174.8412 51 I 3.6666 7.5076 120.8921 63.9649 37.1145 176.8651 52 V 3.8076 7.5496 121.8745 61.8588 30.8012 175.3236 53 R 4.1832 8.1990 124.6121 57.7954 30.3238 176.4061 54 Q 4.4056 7.1812 115.4327 55.4044 31.6159 172.0921 55 Y 4.7224 8.4644 120.7629 56.2891 40.0826 175.2696 56 A 4.6155 8.2777 124.9054 50.3624 22.3226 175.5592 57 A 4.1614 8.6304 125.6773 51.6320 19.1241 176.8346 58 L 4.4981 8.4032 123.6715 53.1466 42.6140 176.5145 59 L 4.3619 8.1315 123.7467 53.4473 42.9555 176.2970 60 S 4.4565 8.2170 115.1513 56.7658 62.8654 172.7700 61 P 4.1051 0.0000 0.0000 65.8666 31.0746 178.1847 62 E 3.9959 8.2888 116.8951 59.6639 29.1835 179.5628 63 S 4.2428 7.8359 112.3739 60.6143 62.9500 175.9022 64 V 4.2621 7.0151 113.6129 60.3942 32.2917 175.3976 65 N 4.2851 7.8768 114.1752 54.5771 36.6914 174.5093 66 L 5.1148 7.9106 120.1236 53.8492 39.1816 176.9072 67 G 3.8544 8.3515 106.8271 47.1155 0.0000 170.7502 68 L 4.8043 8.3624 123.9526 53.3742 44.4484 174.6699 69 Q 4.5519 8.7767 127.6994 54.0934 31.4682 173.6783 70 A 5.0279 8.8548 128.4807 50.1038 22.3608 175.0088 71 F 4.8801 9.1285 120.9584 56.0427 41.1920 174.8325 72 I 4.7714 9.0429 126.2693 59.7197 39.4119 175.2630 73 R 4.9828 9.4318 127.5523 55.0588 31.6080 175.4618 74 V 4.7117 9.1539 125.5566 61.2383 33.8118 174.2980 75 S 5.0668 9.0612 123.4635 57.0414 63.7647 172.7999 76 I 4.4844 8.9584 128.2864 59.7642 39.1290 175.5764 77 R 4.0074 8.8317 127.2231 56.0026 30.5284 177.9915 78 K 4.3091 8.2783 123.4456 54.8446 30.8552 175.7923 79 A 4.7387 7.2515 122.9730 49.6163 22.9372 175.8284 80 K 4.0835 8.3864 121.2255 57.8648 32.9533 177.2094 81 D 4.8470 9.0364 124.2562 54.9682 39.6559 176.2289 82 A 4.0450 7.8178 121.1409 55.4099 18.3014 179.8636 83 R 4.0180 8.0033 115.9254 59.2784 30.2518 178.8427 84 E 3.9088 8.1256 118.5612 59.4554 29.8717 178.1946 85 D 4.3938 8.5606 119.3470 57.4044 40.8477 178.7862 86 F 3.8028 8.4741 120.8563 61.0511 39.4191 176.7976 87 A 3.3966 7.8232 120.0545 55.0749 17.9398 179.1857 88 A 3.7481 7.9662 117.8663 55.5996 18.5716 179.8412 89 S 3.7542 7.6080 113.2684 61.4576 62.9005 176.9364 90 V 2.3426 6.5633 121.0930 65.6519 30.7942 178.2458 91 R 3.8299 7.2293 116.5532 58.1223 29.8974 178.0140 92 K 4.5676 7.4234 116.2834 55.0507 32.9637 176.4612 93 W 4.9263 7.4432 121.5009 54.4349 28.4984 175.2617 94 P 4.3712 0.0000 0.0000 64.7790 31.1997 177.7174 95 E 3.7044 8.0699 116.8690 57.6938 29.8690 176.1003 96 V 4.4000 7.4454 120.1003 61.4969 31.7630 175.0637 97 L 4.4514 8.7348 129.1687 56.9819 42.4622 177.6469 98 S 4.5611 7.7594 111.1382 56.9830 66.9038 173.0571 99 C 5.1496 7.7088 121.0215 58.3716 34.2981 172.8890 100 F 5.1253 9.3940 124.7337 55.4236 42.3072 174.2555 101 A 4.3166 9.0410 125.7390 51.9090 18.8225 176.6018 102 L 4.8641 8.2356 122.5246 53.0854 44.5715 176.8840 103 T 4.1969 8.5941 108.9892 62.7691 70.0045 175.8167 104 G 4.1033 7.6070 114.1115 44.9950 0.0000 173.7008 105 E 4.0154 8.7161 117.3403 58.9076 30.1462 177.2614 106 T 4.2401 7.7031 116.6954 62.8665 69.1839 173.9941 107 D 4.4194 8.9089 127.0593 57.0656 42.1017 176.0766 108 Y 5.3267 8.2022 115.2188 56.0886 42.3644 173.9869 109 L 5.2378 9.2646 126.1422 53.5691 44.3937 174.8540 110 L 5.3022 9.3701 126.6216 53.0816 44.7448 175.0662 111 Q 4.7718 8.8603 123.6935 54.2235 31.4236 174.1648 112 A 5.1197 8.7270 126.8267 50.5621 23.3380 174.4373 113 F 5.1296 8.3691 117.3495 55.8622 42.4659 174.8014 114 F 4.9513 9.2629 119.9576 56.3368 43.5266 176.0605 115 T 4.7282 9.2071 110.4800 64.2334 70.8557 174.2708 116 D 4.4251 8.2699 124.3350 53.1953 45.8084 176.2155 *118 N 4.5581 9.5320 116.2513 53.3257 41.3247 174.9867 119 A 4.0983 8.1942 119.3080 55.0273 18.3350 179.2120 120 F 2.8348 8.1574 119.1970 61.2100 39.3308 177.1920 121 S 4.0216 8.1634 112.1069 61.7111 62.1986 175.3895 122 H 4.1339 8.2398 120.8483 59.0966 29.4856 176.8959 123 F 3.9099 8.0793 122.3680 61.2039 39.2392 177.2076 124 V 2.9007 7.3929 117.8451 65.8245 31.1032 178.0436 125 L 3.8652 7.6471 117.3094 57.4036 41.6521 177.9238 126 D 4.6533 7.6606 115.4621 54.7245 41.0847 176.4459 127 T 4.1196 7.0668 113.2611 64.9392 70.6162 175.5428 128 L 3.5266 6.6753 123.3058 57.8193 42.3787 179.1654 129 L 3.9957 8.1208 120.2036 57.3710 41.7559 178.8004 130 S 4.2762 7.1554 108.6064 59.6174 63.7060 174.0910 131 H 4.3318 8.2174 123.5350 56.1358 29.9559 175.6624 132 H 4.2314 8.9701 122.6693 58.3089 28.5736 176.1748 133 G 3.8329 8.0860 106.0727 46.9354 0.0000 173.2121 134 V 4.2734 7.6883 121.5800 61.8842 31.8866 175.4233 135 Q 4.2013 8.9180 130.2774 58.7150 29.6343 174.8756 136 D 4.7560 7.7738 115.6411 53.6642 44.9302 173.2374 137 A 5.3362 8.2451 121.9758 50.6979 22.3152 175.5801 138 Q 4.7217 9.0704 117.7143 54.7003 32.4141 174.2341 139 S 5.2239 8.7043 115.4594 57.0522 67.1308 173.1954 140 S 4.7314 8.6130 117.0280 56.8102 66.9260 173.0695 141 F 5.2902 8.4067 118.5223 55.5463 43.0230 174.8245 142 V 3.8252 8.5423 121.9546 63.0829 31.1202 176.0562 143 L 4.3123 8.7303 128.2482 56.8412 42.3299 177.3704 144 K 4.3641 7.5187 116.5230 55.2217 34.9814 173.9288 145 E 4.3355 8.8394 127.5939 55.6919 30.1080 175.7980 146 I 4.1470 8.3682 127.1827 63.1287 38.1494 176.1611 147 K 4.4545 7.6327 117.8306 55.7645 34.7384 174.5804 148 H 4.5800 8.4470 124.5330 56.0363 31.0416 172.3144 149 T 4.6167 8.1749 120.7811 60.4763 70.4172 173.4470 150 T 4.3035 8.2750 113.6379 61.6687 69.4670 174.7232 151 S 4.5865 7.8624 120.0186 57.7637 63.3021 174.2139 152 L 4.2703 8.6824 126.5542 53.4937 42.1235 175.3887 153 P 4.4947 0.0000 0.0000 62.9476 32.1318 176.1758 154 L 4.6729 8.2544 117.9930 54.2759 43.8985 178.1555 155 N 4.3420 8.2881 117.0024 56.3906 38.6657 176.6551 156 H 4.1730 8.2730 112.5259 58.3839 28.4722 176.4756 157 L 4.0797 7.4684 119.0371 56.6042 41.7756 176.9229 158 L 4.2123 7.7172 123.1505 54.8229 41.6136 176.3598 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 5 T 8.17 4.19 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 1.21 0.00 0.00 6 L 8.20 4.42 0.00 1.74 1.60 0.92 0.83 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 7 D 8.60 4.79 0.00 2.93 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 8 K 8.56 3.79 0.00 1.83 1.88 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.57 7.81 9 T 7.92 3.90 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 1.21 0.00 0.00 10 D 8.74 4.38 0.00 2.88 2.72 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 11 I 7.85 3.70 2.01 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 1.62 0.87 0.89 0.00 0.00 12 K 7.85 4.10 0.00 1.98 1.97 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.40 7.81 13 I 7.84 3.70 2.07 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 1.53 0.58 0.94 0.00 0.00 14 L 7.86 3.99 0.00 1.90 1.72 0.91 1.00 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 15 Q 8.47 4.03 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 16 V 8.16 3.59 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 1.05 0.00 0.00 0.98 0.00 0.00 17 L 8.20 4.31 0.00 1.86 1.85 1.06 0.99 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 18 Q 8.03 4.13 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 19 E 7.66 4.39 0.00 2.22 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 2.54 2.49 0.00 20 N 8.23 4.98 0.00 2.72 2.69 0.00 0.00 6.82 7.70 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 21 G 8.39 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.64 4.50 0.00 1.73 1.86 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 23 L 7.35 4.22 0.00 1.71 1.57 0.93 0.81 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 24 T 8.25 4.02 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 25 N 8.70 4.39 0.00 2.84 2.85 0.00 0.00 6.64 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 26 V 7.78 3.54 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.09 3.99 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 28 L 8.52 3.94 0.00 1.77 1.81 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.51 4.13 0.00 4.30 4.14 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 30 E 8.11 3.88 0.00 2.16 2.21 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 2.31 2.35 0.00 31 R 8.09 4.06 0.00 1.93 1.98 0.00 3.20 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 32 V 7.74 4.12 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 0.78 0.00 0.00 1.02 0.00 0.00 33 A 7.66 3.81 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 34 L 8.11 4.90 0.00 1.55 1.53 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.33 4.34 0.00 3.86 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 36 P 0.00 4.23 0.00 2.15 2.10 0.00 3.59 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 2.11 2.15 0.00 37 S 7.95 4.05 0.00 3.88 3.85 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 38 P 0.00 4.25 0.00 2.19 2.10 0.00 3.70 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 2.12 2.15 0.00 39 C 8.06 4.11 0.00 3.10 3.11 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 40 L 8.15 3.97 0.00 1.96 1.65 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.07 3.84 0.00 2.03 2.10 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 R 7.97 3.92 0.00 2.08 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 43 L 8.03 3.94 0.00 1.79 1.69 1.04 0.48 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 44 K 8.03 3.90 0.00 2.02 2.03 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.39 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.55 7.81 45 Q 8.23 4.02 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 46 L 8.16 3.99 0.00 1.90 1.73 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.66 3.99 0.00 2.19 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 2.41 2.58 0.00 48 D 8.48 4.40 0.00 2.70 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 49 A 8.11 4.23 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 50 G 7.64 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 0.00 0.00 0.00 51 I 7.51 3.67 1.98 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 1.18 0.57 0.90 0.00 0.00 52 V 7.55 3.81 1.98 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 0.25 0.00 0.00 0.89 0.00 0.00 53 R 8.20 4.18 0.00 1.91 1.99 0.00 3.10 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 54 Q 7.18 4.41 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 55 Y 8.46 4.72 0.00 3.01 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 56 A 8.28 4.62 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 57 A 8.63 4.16 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 58 L 8.40 4.50 0.00 1.63 1.62 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.13 4.36 0.00 1.54 1.52 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.22 4.46 0.00 3.84 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 61 P 0.00 4.11 0.00 2.34 1.79 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.88 0.00 62 E 8.29 4.00 0.00 2.07 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 2.44 2.49 0.00 63 S 7.84 4.24 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 64 V 7.02 4.26 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 0.75 0.00 0.00 0.92 0.00 0.00 65 N 7.88 4.29 0.00 3.02 2.91 0.00 0.00 6.97 6.85 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 66 L 7.91 5.11 0.00 1.63 1.83 0.75 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.35 3.85 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 0.00 68 L 8.36 4.80 0.00 1.82 1.88 0.65 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.78 4.55 0.00 1.69 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.93 1.16 0.00 70 A 8.85 5.03 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 71 F 9.13 4.88 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.04 4.77 2.08 0.00 0.00 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 1.54 0.82 1.07 0.00 0.00 73 R 9.43 4.98 0.00 1.89 1.93 0.00 3.12 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 74 V 9.15 4.71 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 0.57 0.00 0.00 1.08 0.00 0.00 75 S 9.06 5.07 0.00 3.90 3.77 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 0.00 0.00 0.00 76 I 8.96 4.48 2.06 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 1.03 0.00 0.00 77 R 8.83 4.01 0.00 1.75 1.86 0.00 3.40 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 78 K 8.28 4.31 0.00 1.73 1.78 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.49 7.81 79 A 7.25 4.74 1.22 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 0.00 0.00 80 K 8.39 4.08 0.00 1.74 1.75 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 81 D 9.04 4.85 0.00 2.98 3.11 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 82 A 7.82 4.05 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 83 R 8.00 4.02 0.00 1.97 2.17 0.00 3.21 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.81 0.00 84 E 8.13 3.91 0.00 2.10 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 0.00 2.38 2.45 0.00 85 D 8.56 4.39 0.00 2.97 2.86 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 86 F 8.47 3.80 0.00 2.97 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 87 A 7.82 3.40 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 88 A 7.97 3.75 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 89 S 7.61 3.75 0.00 3.29 3.35 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 90 V 6.56 2.34 1.40 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 0.77 0.00 0.00 -0.73 0.00 0.00 91 R 7.23 3.83 0.00 1.79 1.83 0.00 3.08 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 92 K 7.42 4.57 0.00 1.65 1.83 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.34 7.81 93 W 7.44 4.93 0.00 3.48 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 94 P 0.00 4.37 0.00 2.15 2.18 0.00 3.88 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 95 E 8.07 3.70 0.00 1.36 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 1.73 1.47 0.00 96 V 7.45 4.40 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 0.86 0.00 0.00 1.18 0.00 0.00 97 L 8.73 4.45 0.00 1.71 1.73 1.02 1.14 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 98 S 7.76 4.56 0.00 3.51 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 99 C 7.71 5.15 0.00 2.85 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 0.00 100 F 9.39 5.13 0.00 3.07 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 0.00 101 A 9.04 4.32 1.11 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 0.00 102 L 8.24 4.86 0.00 1.72 1.58 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.59 4.20 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 0.00 104 G 7.61 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 0.00 105 E 8.72 4.02 0.00 2.08 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 0.00 2.27 2.33 0.00 106 T 7.70 4.24 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 1.28 0.00 0.00 107 D 8.91 4.42 0.00 2.86 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.20 5.33 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.26 5.24 0.00 1.92 1.79 1.18 0.99 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 0.00 110 L 9.37 5.30 0.00 1.95 1.69 1.25 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.86 4.77 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 1.69 1.16 0.00 112 A 8.73 5.12 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 0.00 113 F 8.37 5.13 0.00 2.65 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 9.26 4.95 0.00 3.08 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 0.00 115 T 9.21 4.73 4.30 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 1.32 0.00 0.00 116 D 8.27 4.43 0.00 2.88 2.35 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 *118 N 9.53 4.56 0.00 2.79 2.92 0.00 0.00 6.78 8.17 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 0.00 119 A 8.19 4.10 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 0.00 0.00 0.00 0.00 0.00 120 F 8.16 2.83 0.00 2.74 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.16 4.02 0.00 3.99 4.04 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 0.00 122 H 8.24 4.13 0.00 3.28 3.48 0.00 5.84 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 0.00 123 F 8.08 3.91 0.00 3.17 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 0.00 124 V 7.39 2.90 1.69 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 0.80 0.00 0.00 0.11 0.00 0.00 125 L 7.65 3.87 0.00 1.63 1.64 0.90 1.13 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 0.00 126 D 7.66 4.65 0.00 2.63 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 0.00 127 T 7.07 4.12 3.57 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 0.27 0.00 0.00 128 L 6.68 3.53 0.00 0.56 1.13 1.16 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 0.00 129 L 8.12 4.00 0.00 1.58 1.65 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.16 4.28 0.00 3.95 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 0.00 131 H 8.22 4.33 0.00 3.64 3.45 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.97 4.23 0.00 3.31 3.41 0.00 5.57 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.09 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 0.00 134 V 7.69 4.27 2.27 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 0.69 0.00 0.00 0.80 0.00 0.00 135 Q 8.92 4.20 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.41 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 136 D 7.77 4.76 0.00 2.71 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 0.00 137 A 8.25 5.34 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 0.00 138 Q 9.07 4.72 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 139 S 8.70 5.22 0.00 3.56 3.29 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 0.00 140 S 8.61 4.73 0.00 3.64 3.63 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 0.00 141 F 8.41 5.29 0.00 2.81 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 0.00 142 V 8.54 3.83 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 0.84 0.00 0.00 1.13 0.00 0.00 143 L 8.73 4.31 0.00 1.69 1.72 0.93 0.89 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 0.00 144 K 7.52 4.36 0.00 1.69 1.65 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 145 E 8.84 4.34 0.00 2.04 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 2.40 2.41 0.00 146 I 8.37 4.15 1.89 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 1.31 0.97 0.92 0.00 0.00 147 K 7.63 4.45 0.00 1.70 1.66 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 148 H 8.45 4.58 0.00 3.18 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.17 4.62 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 0.00 150 T 8.27 4.30 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 1.20 0.00 0.00 151 S 7.86 4.59 0.00 3.90 3.85 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 0.00 152 L 8.68 4.27 0.00 1.65 1.61 0.93 0.93 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 0.00 153 P 0.00 4.49 0.00 2.22 2.07 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 154 L 8.25 4.67 0.00 1.66 1.62 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.29 4.34 0.00 2.80 2.88 0.00 0.00 6.86 8.16 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 0.00 156 H 8.27 4.17 0.00 3.27 3.45 0.00 5.53 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 0.00 157 L 7.47 4.08 0.00 1.68 1.72 0.87 0.75 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 0.00 158 L 7.72 4.21 0.00 1.75 1.56 0.91 0.66 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 * Residues marked with a * may have inaccurate shift predictions.