NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3444 8.1127 119.0745 55.5047 31.4506 175.8549 9 L 3.8259 8.2886 118.6896 58.8085 41.9893 177.1744 10 D 4.9602 8.9381 117.6814 56.1937 41.8349 175.9081 11 D 4.6986 7.9308 118.0020 54.8226 41.8220 177.1492 12 Q 4.2755 8.0263 120.5208 55.1583 29.9977 176.6128 13 I 3.8222 8.5830 124.9562 64.0446 38.0195 178.1918 14 G 3.6346 8.0820 106.2162 47.6707 0.0000 175.2865 15 F 4.4316 8.2407 122.8671 61.1145 39.4522 176.6698 16 I 3.4398 7.6916 119.3429 64.5993 36.9657 178.1018 17 L 3.9317 8.2242 119.6623 58.0262 41.4468 179.7058 18 R 3.9096 8.1725 118.4613 59.4905 29.9630 178.6547 19 Q 3.8344 7.9573 117.5808 58.9452 28.8531 178.4153 20 A 4.0053 8.1664 121.9653 55.2049 18.1910 179.5800 21 N 4.3451 8.1222 115.0580 56.6902 38.8267 177.6855 22 Q 4.0138 8.3319 119.6837 58.8521 28.7635 178.9473 23 R 3.8889 8.2042 119.8610 59.5630 30.1734 177.9274 24 Y 3.9661 8.0400 118.8901 60.6615 38.6989 177.8305 25 A 4.1067 8.5672 121.8247 55.1749 18.1122 179.3835 26 A 3.9842 7.8791 118.6596 54.8046 18.5580 179.8591 27 L 3.8787 7.9068 117.8481 57.4923 41.7899 179.2618 28 F 3.5178 8.3790 120.6951 61.2239 39.1579 177.1410 29 A 4.0758 8.1459 119.0568 55.0194 18.1812 178.7687 30 N 4.5707 7.7675 113.6960 54.6532 38.9814 176.7461 31 G 3.8179 7.5637 104.2410 44.4602 0.0000 174.4286 32 I 3.4571 7.3345 120.8419 60.8348 37.8626 177.2511 33 G 3.8704 7.8475 105.2146 45.7442 0.0000 173.2606 34 N 4.6864 7.7809 115.5089 52.0615 37.8824 175.9728 35 G 3.9927 8.2444 107.3644 45.5251 0.0000 173.8461 36 L 4.5177 7.9980 120.3495 54.3518 42.5287 177.6772 37 T 4.3198 9.1932 114.3766 60.7553 70.9530 173.9502 38 P 3.3321 0.0000 0.0000 65.5452 31.1352 178.7690 39 T 4.0835 7.7388 107.6556 64.1027 69.1736 176.9629 40 Q 4.0170 7.7176 120.4988 58.4743 28.7336 178.4488 41 W 4.3633 8.5646 129.1942 60.4883 30.7716 177.6523 42 A 3.8286 8.2748 120.5614 55.1815 17.8163 179.3994 43 A 3.8411 8.0643 119.0538 55.1545 18.2576 179.3930 44 L 3.7606 7.6343 117.4368 58.3113 42.3950 178.9954 45 V 3.3014 7.5069 118.1783 65.8725 31.4047 177.5358 46 R 3.7763 7.9080 118.4346 59.8053 29.7921 178.3106 47 L 4.2308 7.9636 118.3754 57.7981 41.2982 179.8675 48 G 3.5816 7.6961 105.0018 47.3603 0.0000 175.6451 49 E 4.1064 7.8170 119.9275 59.5312 29.9431 178.7802 50 T 4.1473 8.3250 107.3374 63.3146 69.7569 176.8257 51 G 3.6509 8.0434 110.5660 45.6297 0.0000 171.3698 52 P 4.5718 0.0000 0.0000 63.1805 31.9205 175.7980 53 C 4.7658 9.2360 124.3680 57.0021 35.6885 171.3817 54 P 4.5092 0.0000 0.0000 62.9171 31.9747 177.0467 55 Q 3.9164 8.9627 124.1967 59.7072 29.1605 178.7400 56 N 4.4446 8.0765 116.6535 55.9669 38.6962 177.1005 57 Q 4.0056 8.0299 120.7777 58.7026 29.0458 177.6907 58 L 4.0245 7.9865 121.8803 57.9191 41.9172 179.0455 59 G 3.6578 7.9279 105.2386 48.0759 0.0000 175.8900 60 R 3.9053 7.6983 119.0396 58.7313 30.2103 178.8023 61 L 4.2399 7.9029 117.9568 56.4929 41.5801 177.8716 62 T 4.3156 7.1573 107.6819 60.2220 68.8517 173.6487 63 A 3.3905 7.3005 123.7605 53.0931 15.7059 177.2524 *65 D 4.4182 7.8475 119.8176 53.0289 42.1170 175.9641 66 A 3.9403 8.4085 119.8750 55.4857 18.1296 179.6669 67 A 3.9254 7.9501 118.4296 55.5582 18.6309 179.6094 68 T 3.7993 8.7443 114.5470 67.1306 68.5377 176.9321 69 I 3.7328 8.0204 121.6380 64.0556 37.0866 178.3781 70 K 4.0995 8.2116 120.7657 59.4636 32.0955 178.9140 71 G 3.6256 8.1726 105.8058 48.1403 0.0000 176.1144 72 V 3.7004 7.8742 115.4943 63.8160 31.4817 178.8439 73 V 3.6200 8.0491 118.2487 66.1589 31.3107 178.0142 74 E 4.0278 8.2366 118.2269 59.3024 28.7176 179.5503 75 R 3.9923 7.8711 117.8899 59.0009 30.1812 178.8712 76 L 4.0637 8.5819 119.2579 57.7000 41.5410 179.0590 77 D 4.2918 8.4077 118.3390 57.3753 41.0456 178.2001 78 K 3.9762 8.0167 118.5576 59.0906 32.1628 177.7831 79 R 4.4464 7.4652 114.6957 55.2089 30.4686 176.4249 80 G 3.8711 8.3210 107.2950 46.7817 0.0000 174.4240 81 L 4.8523 8.1308 119.7191 53.9920 43.8912 176.2940 82 I 5.1552 7.7611 111.2546 58.9929 40.9766 174.7543 83 Q 4.6370 9.4307 120.0054 54.8437 32.0282 173.8738 84 R 5.2039 8.5188 120.1193 55.0898 32.7074 175.3673 85 S 4.7108 8.5462 114.7835 56.5898 66.4480 173.1976 86 A 4.4662 8.5645 127.3224 51.8393 19.1782 176.7938 87 D 4.3965 9.4230 123.1101 53.8119 41.5614 175.6810 88 P 4.2850 0.0000 0.0000 65.4967 31.4495 176.6967 89 D 4.5937 8.3340 116.8498 53.6227 41.1442 176.0648 90 D 4.6099 7.6475 115.7285 53.4190 43.4158 176.5893 91 G 3.7364 8.7454 115.2844 47.8566 0.0000 172.9735 92 R 4.0045 8.0972 118.2046 58.6294 30.6034 176.7729 93 R 4.3688 8.2126 119.1422 55.4501 31.5052 175.2512 94 L 5.1272 8.4768 125.6477 53.1156 44.0242 175.5517 95 L 4.8255 8.9950 123.7558 52.9625 44.3028 175.9953 96 V 4.3270 8.6782 123.9124 62.8615 32.9941 174.7235 97 S 4.9108 8.7307 120.2492 56.6190 66.3273 173.1479 98 L 4.5558 8.4036 124.0305 54.8646 42.2481 177.4529 99 S 4.4177 9.0190 119.3286 57.6372 63.8482 173.5630 100 P 4.2467 0.0000 0.0000 66.4003 30.8073 178.5233 101 A 4.0798 8.0525 119.9567 54.8602 18.4320 179.7070 102 G 3.5783 7.9582 103.8211 47.8638 0.0000 175.7911 103 R 3.9050 8.6643 121.2294 59.1105 30.0809 178.5470 104 A 4.0273 8.2881 120.8728 55.1412 18.1770 179.2763 105 E 4.0030 7.9809 116.5764 59.0367 30.0616 178.6214 106 L 4.2178 7.9611 120.4933 58.2379 42.1054 178.5309 107 E 4.0116 8.0835 117.7779 59.7242 29.2754 179.5261 108 A 4.2662 8.0703 119.3424 54.2817 18.7629 178.8692 109 G 3.8716 7.9417 101.6604 44.8140 0.0000 175.7116 110 L 4.3294 7.7947 120.9485 57.7858 41.7283 179.0208 111 A 4.0047 8.0919 120.0224 55.2220 18.2475 179.4074 112 A 3.7796 7.8468 118.4692 55.1847 18.5006 179.6073 113 A 3.7314 7.7808 119.2661 55.1562 18.4205 180.0436 114 R 3.9496 8.1607 116.7456 59.4397 30.1750 178.9254 115 E 3.9372 8.0925 119.1013 59.0494 29.5898 178.6797 116 I 3.5530 7.9089 120.3018 64.5372 37.0790 178.0737 117 N 4.5461 8.2582 117.2709 56.4565 38.2243 177.7769 118 R 4.0139 7.8396 116.1800 59.2065 29.8673 178.6640 119 Q 4.0874 8.1179 118.5093 58.7813 28.5249 178.2135 120 A 4.0932 7.9231 120.4819 54.9202 18.6911 178.7684 121 L 4.4671 7.6866 114.1746 54.6997 41.9162 178.3110 122 A 3.9961 7.6316 121.9872 54.7991 18.3594 177.3673 123 P 4.2969 0.0000 0.0000 64.5648 31.7155 176.2264 124 L 4.8244 7.5310 118.3205 52.5680 43.5007 177.2325 125 S 4.3386 8.5183 117.7585 58.3196 64.8311 175.6912 126 L 3.9949 8.4816 122.8101 58.0097 41.3243 180.0271 127 Q 4.0095 7.9725 117.7100 59.0933 28.7467 178.3415 128 E 4.0582 7.9106 118.5858 59.2602 29.3136 179.4906 129 Q 4.0019 8.2071 118.5932 58.7864 28.6466 178.5280 130 E 3.9398 7.9639 119.7250 59.6607 29.5274 179.1487 131 T 3.8605 7.7553 115.7852 66.7413 68.5846 176.1723 132 L 3.9196 8.1591 121.9957 58.3711 42.0394 179.0216 133 R 4.0749 8.3785 118.4762 59.3141 29.7348 179.2758 134 G 3.5235 8.1698 104.6520 47.7198 0.0000 175.2519 135 L 4.1430 8.2542 122.7544 57.3961 41.7458 179.6596 136 L 3.9412 8.4230 120.0940 58.0854 41.7468 178.8283 137 A 4.0310 7.8784 120.4684 54.7502 18.0737 179.3252 138 R 4.0890 7.6862 115.2652 57.8215 30.2314 177.2175 139 L 4.5586 7.4170 117.6245 54.2313 42.0716 176.5949 140 I 3.8511 7.2958 125.7167 61.8319 36.9590 175.7733 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 8 R 8.11 4.34 0.00 1.75 1.89 0.00 3.23 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 9 L 8.29 3.83 0.00 1.64 1.53 0.65 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.94 4.96 0.00 2.80 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 11 D 7.93 4.70 0.00 2.86 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 12 Q 8.03 4.28 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 13 I 8.58 3.82 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 1.58 1.47 0.93 0.00 0.00 14 G 8.08 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 0.00 0.00 0.00 15 F 8.24 4.43 0.00 3.03 3.25 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 16 I 7.69 3.44 2.01 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 1.61 0.91 0.87 0.00 0.00 17 L 8.22 3.93 0.00 1.91 1.72 0.92 0.70 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 18 R 8.17 3.91 0.00 1.92 2.12 0.00 3.15 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 1.66 1.70 0.00 19 Q 7.96 3.83 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.08 1.89 0.00 20 A 8.17 4.01 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 21 N 8.12 4.35 0.00 3.04 2.89 0.00 0.00 6.94 8.30 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 22 Q 8.33 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 23 R 8.20 3.89 0.00 1.88 2.10 0.00 3.09 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 1.65 1.64 0.00 24 Y 8.04 3.97 0.00 3.22 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 25 A 8.57 4.11 1.45 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 26 A 7.88 3.98 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 27 L 7.91 3.88 0.00 1.59 1.54 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.38 3.52 0.00 2.58 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 29 A 8.15 4.08 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 30 N 7.77 4.57 0.00 2.71 2.81 0.00 0.00 6.80 7.32 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 31 G 7.56 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 32 I 7.33 3.46 0.62 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.16 0.70 0.00 0.00 33 G 7.85 3.87 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 0.00 0.00 0.00 34 N 7.78 4.69 0.00 2.81 2.88 0.00 0.00 7.02 6.81 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 35 G 8.24 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 0.00 0.00 0.00 36 L 8.00 4.52 0.00 1.98 1.84 1.31 0.86 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 37 T 9.19 4.32 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 1.25 0.00 0.00 38 P 0.00 3.33 0.00 1.99 1.74 0.00 3.48 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.43 0.00 39 T 7.74 4.08 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 1.18 0.00 0.00 40 Q 7.72 4.02 0.00 2.54 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 41 W 8.56 4.36 0.00 3.75 3.40 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 42 A 8.27 3.83 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 43 A 8.06 3.84 1.36 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 44 L 7.63 3.76 0.00 1.75 1.58 0.93 0.87 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 45 V 7.51 3.30 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 0.76 0.00 0.00 -0.16 0.00 0.00 46 R 7.91 3.78 0.00 1.96 2.00 0.00 3.17 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 1.59 1.70 0.00 47 L 7.96 4.23 0.00 1.83 1.67 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.70 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.82 4.11 0.00 2.07 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 0.00 2.27 2.47 0.00 50 T 8.32 4.15 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 1.21 0.00 0.00 51 G 8.04 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 52 P 0.00 4.57 0.00 1.94 2.01 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 53 C 9.24 4.77 0.00 3.09 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 54 P 0.00 4.51 0.00 2.10 1.95 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.08 0.00 55 Q 8.96 3.92 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 56 N 8.08 4.44 0.00 2.77 2.84 0.00 0.00 6.74 7.31 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 57 Q 8.03 4.01 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 58 L 7.99 4.02 0.00 1.80 1.88 0.88 1.04 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 59 G 7.93 3.66 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 0.00 0.00 0.00 60 R 7.70 3.91 0.00 1.83 1.99 0.00 3.16 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.93 0.00 61 L 7.90 4.24 0.00 1.82 1.71 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.16 4.32 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 1.22 0.00 0.00 63 A 7.30 3.39 1.34 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 0.00 0.00 *65 D 7.85 4.42 0.00 2.98 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 66 A 8.41 3.94 1.34 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 0.00 0.00 67 A 7.95 3.93 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 68 T 8.74 3.80 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 69 I 8.02 3.73 2.02 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 1.40 0.95 0.95 0.00 0.00 70 K 8.21 4.10 0.00 2.05 1.98 0.00 1.66 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.61 7.81 71 G 8.17 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 0.00 0.00 0.00 72 V 7.87 3.70 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 0.80 0.00 0.00 0.94 0.00 0.00 73 V 8.05 3.62 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 1.11 0.00 0.00 0.98 0.00 0.00 74 E 8.24 4.03 0.00 2.25 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 2.52 0.00 75 R 7.87 3.99 0.00 2.06 2.00 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 76 L 8.58 4.06 0.00 1.98 1.73 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.41 4.29 0.00 2.96 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 78 K 8.02 3.98 0.00 1.96 2.00 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 79 R 7.47 4.45 0.00 2.02 1.98 0.00 3.32 0.00 0.00 3.38 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 80 G 8.32 3.87 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 0.00 0.00 0.00 81 L 8.13 4.85 0.00 1.72 1.70 1.05 0.68 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 82 I 7.76 5.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.55 0.91 0.00 0.00 83 Q 9.43 4.64 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 84 R 8.52 5.20 0.00 1.70 1.87 0.00 3.21 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 85 S 8.55 4.71 0.00 3.89 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 86 A 8.56 4.47 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 87 D 9.42 4.40 0.00 2.83 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 88 P 0.00 4.29 0.00 2.21 2.17 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 89 D 8.33 4.59 0.00 2.82 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 90 D 7.65 4.61 0.00 2.72 2.50 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 91 G 8.75 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 92 R 8.10 4.00 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 93 R 8.21 4.37 0.00 1.88 1.92 0.00 3.05 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 94 L 8.48 5.13 0.00 1.53 1.56 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.99 4.83 0.00 1.49 1.54 0.94 0.69 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 96 V 8.68 4.33 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 97 S 8.73 4.91 0.00 3.90 3.70 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 98 L 8.40 4.56 0.00 1.53 1.58 0.92 0.84 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 99 S 9.02 4.42 0.00 3.88 3.87 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 0.00 100 P 0.00 4.25 0.00 2.26 2.33 0.00 3.70 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 2.05 0.00 101 A 8.05 4.08 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 0.00 102 G 7.96 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.66 3.91 0.00 1.91 2.20 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 104 A 8.29 4.03 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 0.00 105 E 7.98 4.00 0.00 2.22 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 2.50 2.42 0.00 106 L 7.96 4.22 0.00 1.89 1.84 0.51 0.84 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 0.00 107 E 8.08 4.01 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 2.57 2.51 0.00 108 A 8.07 4.27 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 0.00 109 G 7.94 3.87 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 0.00 0.00 0.00 110 L 7.79 4.33 0.00 1.99 1.85 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.09 4.00 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 0.00 112 A 7.85 3.78 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 0.00 113 A 7.78 3.73 1.45 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 0.00 114 R 8.16 3.95 0.00 2.08 2.02 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 115 E 8.09 3.94 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 116 I 7.91 3.55 1.96 0.00 0.00 0.53 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 0.08 0.61 0.00 0.00 117 N 8.26 4.55 0.00 3.01 2.97 0.00 0.00 6.84 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 0.00 118 R 7.84 4.01 0.00 1.99 2.08 0.00 3.07 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 119 Q 8.12 4.09 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 120 A 7.92 4.09 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 0.00 121 L 7.69 4.47 0.00 1.69 1.71 0.96 1.17 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 0.00 122 A 7.63 4.00 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 0.00 123 P 0.00 4.30 0.00 2.05 2.14 0.00 3.70 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 2.03 2.12 0.00 124 L 7.53 4.82 0.00 1.82 1.58 0.92 0.75 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 0.00 125 S 8.52 4.34 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 3.99 0.00 1.71 1.77 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.97 4.01 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 128 E 7.91 4.06 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 129 Q 8.21 4.00 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 130 E 7.96 3.94 0.00 2.10 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 2.49 2.50 0.00 131 T 7.76 3.86 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 1.21 0.00 0.00 132 L 8.16 3.92 0.00 1.80 1.79 0.92 1.18 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 0.00 133 R 8.38 4.07 0.00 2.08 1.98 0.00 3.19 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 134 G 8.17 3.52 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 0.00 135 L 8.25 4.14 0.00 1.82 1.74 0.92 0.41 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 0.00 136 L 8.42 3.94 0.00 1.98 1.65 0.89 0.96 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 0.00 137 A 7.88 4.03 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 0.00 138 R 7.69 4.09 0.00 1.80 1.99 0.00 3.14 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 139 L 7.42 4.56 0.00 1.72 1.67 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.30 3.85 2.00 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 1.27 0.72 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.