NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.6285 8.3149 120.0860 56.4197 33.5833 174.6867 6 I 4.5035 9.0573 125.5024 58.5082 41.6380 169.2482 7 V 4.9279 9.0169 124.8716 60.5795 33.9099 173.7574 8 L 5.0059 8.6317 128.2668 53.2530 44.1375 175.9456 9 K 4.3918 8.9120 125.0589 54.7656 32.1400 176.4258 10 S 4.6227 8.4911 120.4174 58.1760 63.0955 174.9452 11 S 4.2999 8.7601 115.5043 60.0959 62.4051 173.5673 12 D 4.9067 7.3140 120.1144 53.9026 39.1337 177.2452 13 G 3.9545 8.2551 104.0648 47.4548 0.0000 171.8832 14 E 4.7145 7.8274 121.6241 55.1506 32.4560 173.9526 15 S 4.4949 8.5366 119.4667 58.9282 64.1854 173.6942 16 F 4.5857 8.6603 119.8616 55.5558 42.4356 173.7992 17 E 4.4447 8.9565 125.9327 56.0731 29.9901 176.0573 18 V 4.6725 8.5557 119.5965 59.5216 36.6102 175.7355 19 E 4.4218 8.6424 122.4380 55.6040 29.7128 176.8532 20 E 3.9927 8.1844 119.4487 59.4857 29.3078 177.3766 21 A 4.2867 7.5682 120.4675 53.0133 18.6429 178.8441 22 V 3.7255 7.5633 117.7406 65.5593 31.7756 177.1410 23 A 4.2969 7.4714 116.2587 53.1608 17.3800 178.3132 24 L 4.3129 7.6503 116.7826 55.5334 42.0269 178.2498 25 E 4.3979 7.7114 117.5405 57.6637 29.5870 176.5842 26 S 4.4898 7.3422 114.1036 56.7447 62.2086 174.2341 27 Q 4.2966 8.5934 124.8490 57.4244 28.1718 178.2955 28 T 4.2449 7.7803 116.6980 64.8747 69.3723 176.8051 29 I 4.0660 7.4333 120.7665 62.5786 38.3850 177.8909 30 A 3.9426 8.4564 124.1823 55.7193 18.1881 178.8392 31 H 4.5363 7.7205 107.8687 56.8984 28.3303 175.5659 32 M 4.8429 7.8768 118.5872 55.3681 32.5508 176.7656 33 V 4.2001 7.5045 108.8264 61.5479 31.9855 176.9327 34 E 4.1495 7.5231 120.2491 58.8067 30.1745 177.5740 35 D 4.5882 7.7120 120.8566 52.7968 39.4805 176.1221 36 D 4.6322 7.8231 120.1700 54.4112 38.4151 175.7841 37 C 4.5013 8.4505 121.7797 59.9549 28.5601 175.9007 38 V 3.7717 7.6268 120.6402 64.7059 31.2247 177.2630 39 D 4.3377 7.4991 118.1442 58.4020 40.7439 177.3113 40 N 4.6853 8.1190 113.4623 52.7592 38.6947 173.5423 41 G 4.0598 7.8091 110.9558 44.7124 0.0000 174.4869 42 V 3.7794 8.1552 122.0671 61.0491 32.3453 173.4110 43 P 4.8980 0.0000 0.0000 61.7365 32.4965 176.8456 44 L 4.8472 8.6608 124.3432 53.3542 40.7652 174.9296 45 P 4.5398 0.0000 0.0000 64.0137 31.3325 176.5252 46 N 4.7029 7.9641 114.0626 52.4801 39.1772 174.2144 47 V 4.2078 7.3492 118.7670 60.4706 33.6329 174.9695 48 T 4.1740 8.3700 121.3589 62.5726 69.2214 174.3915 49 S 4.2442 8.6888 120.8856 60.6488 62.0558 176.3613 50 K 4.0392 8.0911 122.0964 59.2908 31.9327 178.7747 51 I 3.7753 7.6164 119.6407 64.3194 37.4364 177.5647 52 L 3.8260 8.0394 121.0058 58.2586 41.5633 178.9419 53 A 3.9707 7.8539 120.2297 55.3468 17.9321 179.9167 54 K 4.2380 7.7678 115.6287 59.2568 32.0098 180.0135 55 V 3.7714 7.9247 118.9844 66.1924 31.5516 178.1311 56 I 3.7609 7.7210 119.5175 64.3793 36.5659 178.0184 57 E 4.1016 8.2131 119.9384 59.2333 29.3835 178.3914 58 Y 4.0268 7.6727 118.7676 60.8613 38.8988 177.3792 59 C 3.8533 8.1382 117.6082 62.5922 28.1934 175.6908 60 K 3.7199 8.4848 121.4942 59.9977 31.4466 178.5535 61 R 3.6348 7.1867 116.7571 59.5095 29.7725 177.8873 62 H 4.0725 7.9121 116.1755 58.4469 28.7082 177.6147 63 V 3.6237 7.9728 120.5400 65.7540 31.3959 177.0896 64 E 4.5185 7.6065 116.4393 56.5607 28.7097 177.0197 65 A 4.4240 7.2800 118.4344 51.7948 19.9080 178.6609 66 A 4.0624 7.3778 118.8866 55.3367 19.2238 180.5874 67 A 4.2733 7.4521 119.4768 51.7968 17.2889 177.8178 *80 D 4.6152 8.6098 111.9124 54.8265 43.1061 177.3151 81 D 4.4638 8.0734 118.9500 57.1883 41.6751 177.0362 82 D 4.7137 7.9479 116.3086 54.7770 41.1502 178.3471 83 L 4.0856 7.6783 120.6951 57.8094 42.1124 179.0286 84 K 4.3233 7.6377 118.0548 58.8939 31.9005 179.0940 85 A 4.0471 7.4111 121.9307 54.7627 18.5853 179.2092 86 W 4.2446 8.2053 125.8947 60.6901 30.4127 177.8905 87 D 4.3501 8.9509 118.7968 57.5641 40.1693 178.4898 88 A 3.9880 7.6174 119.1804 55.4877 18.5899 178.8466 89 D 4.3245 7.9834 116.1992 57.1288 41.0961 178.2206 90 F 3.8764 7.9818 120.8229 61.0574 39.2826 176.4436 91 M 3.9364 7.3412 116.4878 56.0958 33.3016 177.0534 92 K 4.1622 7.2472 119.5704 56.5608 29.8256 174.7310 93 I 4.5212 6.8409 113.6600 57.8303 41.5243 175.8991 94 D 4.5242 8.0254 120.2620 52.6573 41.4788 176.9301 95 Q 3.3298 8.2170 118.0670 58.9782 28.5517 178.8284 96 A 3.9145 7.8006 121.0278 55.5751 18.3384 179.8372 97 T 3.7661 7.5433 113.6333 66.6650 68.6556 176.3372 98 L 3.7734 7.4850 122.2129 58.4459 41.9110 179.2724 99 F 4.5595 7.9370 117.3548 60.8733 38.5981 177.5900 100 E 4.1009 8.0610 117.9241 58.9461 29.0441 179.6815 101 L 4.0225 7.7126 119.0858 57.7412 41.8484 179.0390 102 I 3.7300 7.4852 119.6995 64.7009 37.0122 178.4144 103 L 4.0282 8.1002 119.2135 57.6744 41.2667 179.5914 104 A 4.1425 7.7323 119.9513 54.9876 18.6737 179.4826 105 A 3.9583 8.8441 119.7319 54.8926 18.1602 178.7178 106 N 4.5584 8.1196 113.8981 55.3467 39.3473 175.9875 107 Y 4.3932 7.6528 120.1028 61.3734 39.4776 175.6120 108 L 4.3101 8.2930 124.5680 53.8007 42.2388 177.7375 109 N 4.9453 8.3056 114.6554 53.6448 39.3575 177.0800 110 I 4.2606 7.7370 121.7275 59.6592 36.9097 176.9752 111 K 4.0023 8.3785 126.7604 59.2478 32.0296 177.6822 112 N 4.5115 8.1347 115.9681 55.4178 37.6518 176.3402 113 L 4.0043 8.0130 122.2184 56.6561 42.2850 178.1242 114 L 4.1765 7.5401 121.3166 57.1515 42.3635 177.7577 115 D 4.5858 8.0004 116.4603 55.7703 40.8546 176.9974 116 L 4.5473 7.6349 119.9781 56.8983 43.1506 177.9930 117 T 3.8540 7.8586 109.7812 65.0145 68.6415 176.2481 118 C 4.1715 7.9965 119.4275 62.5477 28.0540 175.8657 119 Q 4.1780 8.0798 118.7634 58.9360 28.6272 178.0786 120 T 4.1075 7.5846 117.1498 66.6722 68.6954 177.0172 121 V 3.7414 7.6762 120.1192 65.9901 31.5770 177.9336 122 A 4.0968 8.5829 120.9316 55.1237 17.9396 179.1776 123 D 4.4600 7.6456 116.5311 57.2796 41.0066 178.4734 124 M 4.2475 7.8393 118.6117 57.7961 32.0800 178.2272 125 I 4.3737 7.7288 119.5521 62.8729 38.1612 174.1326 126 K 4.2423 7.6639 121.5886 58.6817 31.8738 174.8746 127 G 3.6475 8.6059 114.9479 45.5463 0.0000 172.7576 128 K 4.4653 8.2599 119.1913 55.5657 32.9504 177.0498 129 T 4.4526 8.1646 111.3046 60.1746 71.6200 173.8393 130 P 4.2737 0.0000 0.0000 65.7035 31.1650 178.6432 131 E 3.9541 8.0941 117.5784 59.4782 29.5381 178.2826 132 E 3.9877 8.0233 118.1642 59.9856 29.2250 179.2742 133 I 4.0743 7.8384 119.7533 64.0824 37.6415 178.1485 134 R 4.1972 8.1514 116.9076 59.2093 29.2868 178.4178 135 T 4.0161 8.2274 118.2275 66.4548 68.3044 176.2571 136 T 4.4855 8.0002 111.7855 61.6949 70.1827 175.4832 137 F 4.5930 8.6554 117.2473 58.2043 45.3184 173.8524 138 N 4.1800 8.1496 118.1299 54.4205 36.4356 172.3939 139 I 4.4619 8.4375 118.7250 58.6720 40.1727 176.0059 140 K 4.0601 8.6120 125.3909 55.9826 32.7549 176.3355 141 N 4.2127 8.8178 123.6219 53.9236 39.0555 173.7997 142 D 4.8824 8.1535 124.3861 52.8755 40.0501 175.3673 143 F 4.8674 8.1833 119.5728 57.5309 39.5776 175.9187 144 T 4.0939 8.5740 116.4582 60.9717 69.3704 173.8148 145 P 4.3435 0.0000 0.0000 65.2639 31.1851 178.9363 146 E 3.9407 7.6871 118.2369 59.1845 29.4233 178.8361 147 E 3.8335 8.1850 118.5551 59.5190 29.5955 178.8290 148 E 3.2669 8.0253 118.6339 59.2175 29.4966 178.5058 149 E 3.7273 7.8526 118.9641 59.1436 29.7200 178.2771 150 E 3.8202 8.1519 119.5405 59.2473 29.5708 179.0605 151 V 3.4758 7.6056 118.2040 65.8017 31.6993 177.9846 152 R 3.6927 7.8221 118.5039 59.3312 29.8710 178.6111 153 R 2.8670 8.0168 118.0589 58.9954 29.9897 178.8237 154 E 3.6984 8.2469 118.5656 59.5286 29.2471 179.2536 155 N 4.3740 8.0768 115.3239 55.7407 38.6822 176.5505 156 Q 4.4911 7.6461 116.4942 55.8480 30.1650 176.9749 157 W 4.8123 7.9264 118.5805 57.3357 30.3606 176.2075 158 A 4.2692 7.7299 118.6164 53.0197 19.8732 177.5246 159 F 4.9210 8.9802 120.6021 56.2914 38.6076 175.9040 160 E 4.7493 8.8141 124.6358 55.5347 29.9976 176.4813 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 K 8.31 4.63 0.00 1.67 1.96 0.00 1.66 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.06 4.50 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 1.12 1.25 0.93 0.00 0.00 7 V 9.02 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 1.42 0.00 0.00 0.96 0.00 0.00 8 L 8.63 5.01 0.00 1.67 1.59 0.90 0.93 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 9 K 8.91 4.39 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.49 4.62 0.00 4.04 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.76 4.30 0.00 3.96 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 12 D 7.31 4.91 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.26 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 0.00 0.00 0.00 14 E 7.83 4.71 0.00 2.03 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 2.34 2.51 0.00 15 S 8.54 4.49 0.00 3.74 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 16 F 8.66 4.59 0.00 3.18 2.95 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 17 E 8.96 4.44 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 18 V 8.56 4.67 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 0.76 0.00 0.00 1.04 0.00 0.00 19 E 8.64 4.42 0.00 1.93 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 2.30 2.35 0.00 20 E 8.18 3.99 0.00 2.07 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 2.37 2.43 0.00 21 A 7.57 4.29 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 22 V 7.56 3.73 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 1.05 0.00 0.00 0.90 0.00 0.00 23 A 7.47 4.30 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 24 L 7.65 4.31 0.00 1.69 1.70 0.91 0.95 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 25 E 7.71 4.40 0.00 2.09 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 2.48 2.43 0.00 26 S 7.34 4.49 0.00 3.96 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 27 Q 8.59 4.30 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.37 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 28 T 7.78 4.24 4.12 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 1.00 0.00 0.00 29 I 7.43 4.07 2.05 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 1.30 0.84 0.90 0.00 0.00 30 A 8.46 3.94 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 31 H 7.72 4.54 0.00 3.35 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.88 4.84 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.50 4.20 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 0.82 0.00 0.00 0.99 0.00 0.00 34 E 7.52 4.15 0.00 1.96 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 2.29 2.22 0.00 35 D 7.71 4.59 0.00 2.77 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 36 D 7.82 4.63 0.00 2.78 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 37 C 8.45 4.50 0.00 3.01 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 38 V 7.63 3.77 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 1.00 0.00 0.00 0.96 0.00 0.00 39 D 7.50 4.34 0.00 2.73 2.73 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 40 N 8.12 4.69 0.00 2.72 2.84 0.00 0.00 6.91 7.65 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 41 G 7.81 4.06 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 0.00 0.00 0.00 42 V 8.16 3.78 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 0.84 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.90 0.00 2.00 2.06 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 44 L 8.66 4.85 0.00 2.06 1.91 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.54 0.00 2.08 2.13 0.00 3.74 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 2.07 2.15 0.00 46 N 7.96 4.70 0.00 1.50 2.01 0.00 0.00 6.58 7.27 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 47 V 7.35 4.21 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 1.05 0.00 0.00 1.15 0.00 0.00 48 T 8.37 4.17 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 1.26 0.00 0.00 49 S 8.69 4.24 0.00 4.50 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 50 K 8.09 4.04 0.00 1.90 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.56 7.81 51 I 7.62 3.78 2.00 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 1.52 0.88 0.92 0.00 0.00 52 L 8.04 3.83 0.00 1.64 1.63 0.68 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.85 3.97 1.61 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 54 K 7.77 4.24 0.00 2.06 2.09 0.00 1.63 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.68 1.54 7.81 55 V 7.92 3.77 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.01 0.00 0.00 56 I 7.72 3.76 1.93 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.96 0.00 0.00 57 E 8.21 4.10 0.00 2.17 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 0.00 2.63 2.53 0.00 58 Y 7.67 4.03 0.00 2.80 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 59 C 8.14 3.85 0.00 3.03 2.94 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 60 K 8.48 3.72 0.00 1.95 1.91 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 R 7.19 3.63 0.00 1.06 1.65 0.00 2.85 0.00 0.00 2.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 62 H 7.91 4.07 0.00 2.87 3.14 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.97 3.62 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 0.98 0.00 0.00 0.95 0.00 0.00 64 E 7.61 4.52 0.00 2.03 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 2.25 2.26 0.00 65 A 7.28 4.42 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 66 A 7.38 4.06 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 67 A 7.45 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *80 D 8.61 4.62 0.00 2.76 2.78 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 81 D 8.07 4.46 0.00 2.76 2.66 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 0.00 0.00 0.00 82 D 7.95 4.71 0.00 2.73 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 83 L 7.68 4.09 0.00 1.71 1.75 0.80 0.84 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 84 K 7.64 4.32 0.00 2.03 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 85 A 7.41 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 86 W 8.21 4.24 0.00 3.47 3.09 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 0.00 0.00 0.00 87 D 8.95 4.35 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 88 A 7.62 3.99 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 89 D 7.98 4.32 0.00 2.91 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 90 F 7.98 3.88 0.00 1.78 2.85 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 91 M 7.34 3.94 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 92 K 7.25 4.16 0.00 1.74 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.54 7.81 93 I 6.84 4.52 1.68 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.43 0.64 0.00 0.00 94 D 8.03 4.52 0.00 2.76 2.73 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 95 Q 8.22 3.33 0.00 1.84 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 96 A 7.80 3.91 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 97 T 7.54 3.77 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 1.07 0.00 0.00 98 L 7.48 3.77 0.00 1.50 1.38 0.83 0.83 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 99 F 7.94 4.56 0.00 3.08 2.95 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 0.00 100 E 8.06 4.10 0.00 2.06 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 2.51 2.52 0.00 101 L 7.71 4.02 0.00 1.86 1.68 0.75 0.54 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 0.00 102 I 7.49 3.73 2.07 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 1.56 1.23 0.93 0.00 0.00 103 L 8.10 4.03 0.00 1.87 1.73 0.93 0.56 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 0.00 104 A 7.73 4.14 1.46 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 0.00 0.00 105 A 8.84 3.96 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 0.00 106 N 8.12 4.56 0.00 2.82 2.89 0.00 0.00 7.15 6.82 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 0.00 107 Y 7.65 4.39 0.00 2.99 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 0.00 108 L 8.29 4.31 0.00 1.66 1.45 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.31 4.95 0.00 2.60 2.74 0.00 0.00 6.77 7.94 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 0.00 110 I 7.74 4.26 1.94 0.00 0.00 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 1.22 0.91 1.08 0.00 0.00 111 K 8.38 4.00 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.13 4.51 0.00 3.02 3.00 0.00 0.00 5.97 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 0.00 113 L 8.01 4.00 0.00 1.92 1.92 0.26 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.54 4.18 0.00 1.81 1.64 0.94 1.44 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 0.00 115 D 8.00 4.59 0.00 2.72 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 0.00 116 L 7.63 4.55 0.00 1.80 1.75 0.97 0.83 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 0.00 117 T 7.86 3.85 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 1.23 0.00 0.00 118 C 8.00 4.17 0.00 3.18 3.03 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 0.00 119 Q 8.08 4.18 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.08 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 120 T 7.58 4.11 4.47 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 0.00 0.00 0.00 1.19 0.00 0.00 121 V 7.68 3.74 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 1.33 0.00 0.00 1.19 0.00 0.00 122 A 8.58 4.10 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 0.00 123 D 7.65 4.46 0.00 2.85 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 0.00 124 M 7.84 4.25 0.00 2.10 2.51 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.53 0.00 125 I 7.73 4.37 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.98 0.94 0.00 0.00 126 K 7.66 4.24 0.00 1.77 1.85 0.00 1.88 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.62 7.81 127 G 8.61 3.65 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 0.00 0.00 0.00 128 K 8.26 4.47 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.49 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 129 T 8.16 4.45 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 1.28 0.00 0.00 130 P 0.00 4.27 0.00 2.21 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 131 E 8.09 3.95 0.00 2.10 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 2.39 2.47 0.00 132 E 8.02 3.99 0.00 2.26 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 0.00 2.35 2.40 0.00 133 I 7.84 4.07 2.05 0.00 0.00 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 1.89 0.78 1.00 0.00 0.00 134 R 8.15 4.20 0.00 2.26 2.17 0.00 2.91 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 135 T 8.23 4.02 4.42 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 1.21 0.00 0.00 136 T 8.00 4.49 4.09 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 0.00 0.00 1.22 0.00 0.00 137 F 8.66 4.59 0.00 3.21 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 0.00 138 N 8.15 4.18 0.00 2.82 2.85 0.00 0.00 6.83 7.94 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 0.00 139 I 8.44 4.46 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.89 0.85 0.00 0.00 140 K 8.61 4.06 0.00 1.84 1.83 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.82 4.21 0.00 2.71 2.79 0.00 0.00 7.02 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 0.00 142 D 8.15 4.88 0.00 2.70 2.58 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 0.00 143 F 8.18 4.87 0.00 3.25 2.87 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 0.00 0.00 0.00 144 T 8.57 4.09 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 1.30 0.00 0.00 145 P 0.00 4.34 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 146 E 7.69 3.94 0.00 2.04 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 2.38 0.00 147 E 8.18 3.83 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 148 E 8.03 3.27 0.00 1.91 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 2.27 2.17 0.00 149 E 7.85 3.73 0.00 2.24 1.94 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 2.14 2.21 0.00 150 E 8.15 3.82 0.00 2.15 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 2.25 2.28 0.00 151 V 7.61 3.48 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.73 0.00 0.00 152 R 7.82 3.69 0.00 1.84 1.80 0.00 3.02 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 153 R 8.02 2.87 0.00 1.81 1.57 0.00 2.67 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.50 0.00 154 E 8.25 3.70 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 155 N 8.08 4.37 0.00 2.82 2.85 0.00 0.00 6.98 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 0.00 156 Q 7.65 4.49 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 157 W 7.93 4.81 0.00 3.38 3.01 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 0.00 0.00 0.00 158 A 7.73 4.27 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.98 4.92 0.00 3.07 2.90 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 0.00 160 E 8.81 4.75 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 * Residues marked with a * may have inaccurate shift predictions.