NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5656 8.3601 120.5308 54.3940 41.5920 173.6662 3 A 4.6135 7.8899 129.0466 47.8360 21.5527 171.2593 4 P 3.9948 0.0000 0.0000 63.7055 31.3529 174.7912 5 R 3.5786 7.5460 123.0736 55.8712 26.3579 177.1423 6 L 4.2814 8.6160 121.6111 55.8376 42.0447 178.6560 7 T 4.2384 7.8633 108.6283 62.9015 69.5833 175.8004 8 G 3.7377 7.8359 107.4982 43.4742 0.0000 170.7417 9 A 3.4865 8.5601 124.9387 51.8002 17.4051 176.4782 10 D 4.1930 9.1816 123.3395 56.9942 42.1137 179.3809 11 R 3.5183 8.5458 121.0752 58.2636 25.7087 172.3575 12 P 3.8959 0.0000 0.0000 61.7202 33.3096 177.6746 13 M 3.2283 8.7937 119.3418 55.7687 30.1101 177.5190 14 S 4.0638 7.7819 113.9227 62.1827 62.5031 171.9472 15 E 4.4646 7.3321 117.8797 54.6513 30.7316 175.6207 16 V 4.3951 7.9001 126.6692 60.7451 34.4613 174.4023 17 A 4.2480 8.4847 128.6165 51.2595 19.5084 176.6418 18 A 4.4799 8.3324 125.7176 49.8021 19.7071 175.4971 19 P 4.4130 0.0000 0.0000 62.1906 32.0796 174.5708 20 P 4.4777 0.0000 0.0000 61.9131 32.1386 176.1124 21 L 3.8344 8.4282 119.2887 55.1026 42.0256 175.7127 22 P 4.5806 0.0000 0.0000 61.9905 32.7074 175.1337 23 E 4.6172 8.3090 118.5979 55.0641 31.6283 175.7395 24 T 4.2980 8.5369 119.1527 64.1860 69.6090 173.9473 25 I 4.2492 8.4744 126.0509 60.6952 37.1811 176.0232 26 T 4.1844 8.5327 124.0391 63.7075 69.3044 174.7876 27 D 4.4039 7.9248 121.5715 53.5633 38.9470 178.3424 28 D 4.8404 8.5767 127.9890 53.7780 39.9695 176.9028 29 R 4.3959 8.7222 120.4338 54.5404 30.7355 177.2973 30 R 4.0388 8.4757 122.3819 56.6406 30.7916 176.7447 31 V 3.8053 8.3657 119.9398 63.2741 32.4029 176.9104 32 G 3.8025 8.3917 107.3351 46.3325 0.0000 172.7641 33 R 4.5602 8.1231 123.3400 54.7440 32.8643 175.1178 34 N 4.8889 8.3932 114.3893 54.2246 40.2383 175.0181 35 Y 4.9502 6.8838 113.2659 54.0350 41.4237 173.3578 36 P 4.3654 0.0000 0.0000 63.6702 31.7976 175.9484 37 E 3.6830 8.7464 115.3738 57.4991 27.2497 174.7307 38 Q 4.1196 7.6912 120.4506 53.4845 28.6403 173.5780 39 P 4.2186 0.0000 0.0000 62.5526 31.2655 174.5100 40 P 4.2731 0.0000 0.0000 62.6889 31.8930 176.0046 41 V 4.0908 7.9312 120.4773 61.7891 32.4521 175.8385 42 I 3.9038 8.5251 127.6873 60.2433 36.6714 175.0736 43 P 4.5231 0.0000 0.0000 63.6283 31.7551 174.8864 44 H 5.0299 7.3210 113.8709 53.5837 31.4025 172.7488 45 S 4.4224 8.4089 113.3272 58.2865 63.3391 172.9944 46 I 3.8768 7.8456 121.5428 63.6646 40.1694 181.1488 47 E 3.1546 8.3022 113.8847 57.1081 29.8987 176.6687 48 G 3.7879 8.7592 120.2714 47.6271 0.0000 173.6804 49 Y 4.5171 8.2019 119.5805 58.2601 38.4281 175.2020 50 Q 4.6776 8.8365 125.1569 54.3582 31.8344 174.0826 51 L 4.9832 8.5956 125.3755 53.3301 43.5732 175.3676 52 S 4.8132 9.4299 119.5360 57.0217 66.0115 174.9169 53 V 3.8848 8.6343 118.7164 65.5963 31.3134 176.6515 54 N 4.7679 7.5579 115.5232 53.5913 39.8108 174.5503 55 A 4.6184 7.8436 119.4984 51.0140 22.3040 175.0295 56 N 4.8052 8.2232 117.9417 50.5720 40.1082 174.2745 57 R 3.8481 8.8388 126.5560 59.6116 29.9838 177.7862 58 C 4.0807 7.8513 115.7122 62.6539 28.0189 175.3208 59 L 4.3686 7.8780 117.2240 56.0995 41.1434 178.4205 60 E 4.1542 7.8501 119.3041 58.1670 29.6021 176.9929 61 C 4.5794 7.9408 114.1306 59.9379 30.5645 173.5395 62 H 4.8369 8.2188 117.7111 54.0245 27.6758 174.1766 63 R 4.8149 7.9156 119.0276 55.0854 33.5406 173.6744 64 R 4.6645 8.7988 119.5966 55.0827 32.9476 176.3829 65 Q 4.6341 8.3230 120.9174 53.8157 31.6157 171.3688 66 Y 4.4948 8.5314 116.3043 58.1350 38.0609 178.1741 67 S 3.8305 10.1906 118.3134 60.1576 62.5402 173.6233 68 G 4.0320 8.5173 114.6795 46.5574 0.0000 174.5116 69 L 4.3508 8.0762 119.0931 53.8533 42.6779 176.1705 70 V 4.2195 8.1331 119.4026 61.0925 33.2607 174.5783 71 A 4.6586 8.1148 128.1454 49.9002 22.4267 174.7128 72 A 4.1466 8.3363 122.9125 50.8916 18.9909 176.1767 73 P 4.3060 0.0000 0.0000 63.3150 31.7687 176.1557 74 M 4.6988 8.1974 119.7735 54.9210 33.3444 175.6017 75 I 4.5604 7.2132 111.1189 59.2299 40.6626 174.5727 76 S 4.3478 8.3197 117.0622 57.8928 63.9580 175.1598 77 I 3.1515 8.0612 122.7979 63.0110 36.7449 178.0833 78 T 3.9376 7.7769 111.0732 64.4506 69.0364 175.3019 79 H 4.7796 8.7491 118.8005 56.4616 28.8813 176.0028 80 F 4.8651 8.5517 119.1268 57.8692 40.5550 175.7313 81 Q 5.5959 8.1852 118.1249 55.0339 29.5737 175.6781 82 D 4.8232 8.5460 122.6633 51.4542 42.3357 175.4639 83 R 4.0229 8.3887 118.5264 58.6023 30.1380 176.0967 84 E 4.0037 8.8559 122.7063 55.3530 26.8836 176.0277 85 G 3.9693 8.4054 106.1072 45.8072 0.0000 174.3985 86 Q 4.1174 7.8306 119.1389 56.3747 30.1231 175.4834 87 M 4.7878 8.4630 122.7056 54.0131 32.8508 175.5905 88 L 4.3096 8.7519 126.7635 53.9907 43.5211 177.1918 89 A 4.3238 8.2116 120.6327 51.7280 18.4426 176.7058 90 D 3.3700 6.9040 118.0418 54.5140 44.8102 176.2535 91 V 3.5489 7.3852 121.4711 63.4682 31.6685 175.8875 92 S 4.5381 8.5562 121.6501 56.7783 64.3309 172.6107 93 P 4.3700 0.0000 0.0000 65.4262 31.3665 177.1618 94 R 4.4443 7.1488 114.3186 57.2254 30.0577 176.5407 95 R 4.3108 8.9835 118.9459 56.5177 28.4003 176.7221 96 Y 4.1048 7.7391 118.1847 60.6681 39.0019 177.2947 97 F 4.1699 8.2842 124.3450 56.7878 38.3129 176.1724 98 C 4.2774 8.6308 124.4980 62.9844 28.1943 176.7037 99 T 4.1216 8.1302 107.4923 64.0366 68.2939 174.5130 100 A 4.1995 7.6337 123.7101 54.3751 18.7606 177.8736 101 C 4.5641 8.6969 112.2783 60.9594 30.1953 174.2003 102 H 4.7425 7.9711 116.3216 54.5699 29.4932 174.4263 103 V 4.5925 8.1808 124.0264 60.4337 34.6314 173.3306 104 P 5.1240 0.0000 0.0000 61.5699 33.3500 174.4934 105 Q 4.7690 8.3710 116.7850 54.5356 33.4224 174.4080 106 T 4.8750 8.3281 110.6448 59.7702 72.2794 173.3925 107 N 4.7380 8.5369 120.3880 52.6549 38.3914 173.8464 108 A 4.6314 8.1126 127.5018 50.2867 22.3566 175.2809 109 Q 4.3163 8.7646 121.9012 54.0251 29.9445 174.3410 110 P 4.3022 0.0000 0.0000 62.9319 31.7802 177.3097 111 L 4.2206 8.4804 122.0326 56.5620 41.9626 177.2596 112 V 4.3890 6.9755 116.0778 61.6586 34.7887 173.1563 113 T 4.0739 8.4300 116.8900 61.4576 69.7551 173.2527 114 N 4.9062 8.5464 121.6844 52.1552 40.1055 174.4024 115 E 4.3615 8.6417 127.2150 56.7568 30.2564 176.7043 116 F 4.4864 8.4078 121.7870 58.5335 40.5402 174.0728 117 R 4.7733 7.7201 124.0163 54.1636 32.4100 175.5096 118 D 4.3087 8.2734 121.7899 54.2951 42.0776 177.1815 119 M 4.0082 8.8805 124.3261 58.0857 32.2508 176.9193 120 L 4.4418 7.7049 117.1098 54.4646 43.4170 176.4013 121 T 3.2962 8.3681 112.1971 61.8372 66.7404 171.9979 122 L 4.4867 7.5970 128.8857 54.7868 42.3031 177.2453 123 M 4.4756 10.6600 118.5774 53.3597 34.7008 174.0972 124 P 4.7088 0.0000 0.0000 62.9119 31.9450 175.9563 125 A 4.2124 8.4118 126.8283 52.7492 19.0687 177.2581 126 S 4.5135 8.4972 115.1571 57.2745 65.8486 172.8282 127 N 4.5149 9.0813 124.3723 55.2931 39.8799 175.3969 *128 E 4.1515 7.9957 116.5432 56.0892 30.5139 177.2726 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 D 8.36 4.57 0.00 2.68 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 3 A 7.89 4.61 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 3.99 0.00 2.23 2.28 0.00 3.72 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 2.04 0.00 5 R 7.55 3.58 0.00 1.90 2.04 0.00 3.31 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 6 L 8.62 4.28 0.00 1.63 1.74 0.92 1.02 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 7 T 7.86 4.24 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 8 G 7.84 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 9 A 8.56 3.49 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 10 D 9.18 4.19 0.00 2.65 2.59 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 11 R 8.55 3.52 0.00 1.93 1.99 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.90 0.00 2.23 2.14 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 13 M 8.79 3.23 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 14 S 7.78 4.06 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 15 E 7.33 4.46 0.00 2.06 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 2.08 2.04 0.00 16 V 7.90 4.40 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.48 4.25 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.33 4.48 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 19 P 0.00 4.41 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 P 0.00 4.48 0.00 2.17 2.04 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 21 L 8.43 3.83 0.00 1.65 1.69 0.92 1.04 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 22 P 0.00 4.58 0.00 2.03 2.10 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 23 E 8.31 4.62 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 24 T 8.54 4.30 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 I 8.47 4.25 1.93 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 1.22 0.67 0.91 0.00 0.00 26 T 8.53 4.18 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 27 D 7.92 4.40 0.00 2.82 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 28 D 8.58 4.84 0.00 2.70 2.77 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 29 R 8.72 4.40 0.00 1.86 1.87 0.00 3.17 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 R 8.48 4.04 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 31 V 8.37 3.81 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 0.78 0.00 0.00 0.92 0.00 0.00 32 G 8.39 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.12 4.56 0.00 1.64 1.67 0.00 3.18 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 34 N 8.39 4.89 0.00 2.98 3.14 0.00 0.00 6.58 7.46 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 35 Y 6.88 4.95 0.00 3.05 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 36 P 0.00 4.37 0.00 2.27 2.12 0.00 3.94 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 2.20 2.18 0.00 37 E 8.75 3.68 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 38 Q 7.69 4.12 0.00 0.93 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 39 P 0.00 4.22 0.00 2.31 2.05 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 40 P 0.00 4.27 0.00 1.98 2.00 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 41 V 7.93 4.09 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 0.81 0.00 0.00 0.91 0.00 0.00 42 I 8.53 3.90 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.96 0.82 0.00 0.00 43 P 0.00 4.52 0.00 2.16 2.21 0.00 3.49 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 44 H 7.32 5.03 0.00 3.20 3.62 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.41 4.42 0.00 3.78 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.85 3.88 1.81 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 1.47 0.50 0.91 0.00 0.00 47 E 8.30 3.15 0.00 1.83 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 2.16 2.17 0.00 48 G 8.76 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.20 4.52 0.00 2.83 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 50 Q 8.84 4.68 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 51 L 8.60 4.98 0.00 1.60 1.32 0.92 0.50 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 52 S 9.43 4.81 0.00 4.01 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 53 V 8.63 3.88 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 0.84 0.00 0.00 1.01 0.00 0.00 54 N 7.56 4.77 0.00 2.97 2.86 0.00 0.00 6.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.84 4.62 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 56 N 8.22 4.81 0.00 2.08 2.49 0.00 0.00 6.94 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 57 R 8.84 3.85 0.00 1.80 1.71 0.00 3.08 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.84 0.00 58 C 7.85 4.08 0.00 2.95 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 59 L 7.88 4.37 0.00 1.56 1.69 0.90 0.88 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 60 E 7.85 4.15 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 61 C 7.94 4.58 0.00 2.82 2.79 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 0.00 0.00 0.00 0.00 62 H 8.22 4.84 0.00 3.13 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.92 4.81 0.00 1.88 2.03 0.00 3.04 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 64 R 8.80 4.66 0.00 1.88 1.50 0.00 2.91 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.62 0.00 65 Q 8.32 4.63 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.21 1.93 0.00 66 Y 8.53 4.49 0.00 3.07 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 67 S 10.19 3.83 0.00 4.09 4.38 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 68 G 8.52 4.03 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 0.00 0.00 0.00 69 L 8.08 4.35 0.00 1.59 1.59 0.93 1.02 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 70 V 8.13 4.22 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 0.79 0.00 0.00 0.92 0.00 0.00 71 A 8.11 4.66 1.14 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 0.00 0.00 72 A 8.34 4.15 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 73 P 0.00 4.31 0.00 2.13 1.99 0.00 3.66 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 1.94 1.94 0.00 74 M 8.20 4.70 0.00 1.85 2.31 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 75 I 7.21 4.56 1.87 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.47 0.83 0.00 0.00 76 S 8.32 4.35 0.00 4.03 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.06 3.15 1.65 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.80 0.00 0.00 78 T 7.78 3.94 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 1.23 0.00 0.00 79 H 8.75 4.78 0.00 3.55 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.55 4.87 0.00 3.09 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.19 5.60 0.00 2.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 82 D 8.55 4.82 0.00 2.73 2.82 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 83 R 8.39 4.02 0.00 1.80 1.91 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 84 E 8.86 4.00 0.00 2.10 2.32 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 2.17 2.33 0.00 85 G 8.41 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.83 4.12 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 87 M 8.46 4.79 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.73 0.00 88 L 8.75 4.31 0.00 1.82 1.53 0.97 0.54 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 89 A 8.21 4.32 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 90 D 6.90 3.37 0.00 2.40 2.29 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 91 V 7.39 3.55 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 0.99 0.00 0.00 1.05 0.00 0.00 92 S 8.56 4.54 0.00 4.03 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 93 P 0.00 4.37 0.00 2.18 2.06 0.00 3.58 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 2.07 2.02 0.00 94 R 7.15 4.44 0.00 2.13 1.97 0.00 3.08 0.00 0.00 3.42 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 95 R 8.98 4.31 0.00 2.23 2.53 0.00 3.29 0.00 0.00 3.11 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 96 Y 7.74 4.10 0.00 2.98 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 97 F 8.28 4.17 0.00 3.31 3.10 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 98 C 8.63 4.28 0.00 3.02 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 99 T 8.13 4.12 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 1.27 0.00 0.00 100 A 7.63 4.20 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 0.00 101 C 8.70 4.56 0.00 2.74 2.82 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 0.00 102 H 7.97 4.74 0.00 3.16 3.21 0.00 5.64 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 0.00 103 V 8.18 4.59 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 0.99 0.00 0.00 0.94 0.00 0.00 104 P 0.00 5.12 0.00 2.10 2.05 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 105 Q 8.37 4.77 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 106 T 8.33 4.88 4.35 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 1.20 0.00 0.00 107 N 8.54 4.74 0.00 2.78 2.80 0.00 0.00 6.91 7.37 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 0.00 108 A 8.11 4.63 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 0.00 109 Q 8.76 4.32 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 110 P 0.00 4.30 0.00 2.18 2.00 0.00 3.60 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 111 L 8.48 4.22 0.00 1.64 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.98 4.39 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.43 4.07 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 114 N 8.55 4.91 0.00 2.75 2.78 0.00 0.00 7.06 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 0.00 115 E 8.64 4.36 0.00 2.03 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 2.32 0.00 116 F 8.41 4.49 0.00 3.27 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 0.00 117 R 7.72 4.77 0.00 1.48 1.52 0.00 3.55 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 118 D 8.27 4.31 0.00 2.75 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 0.00 119 M 8.88 4.01 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.68 0.00 120 L 7.70 4.44 0.00 1.63 1.58 0.99 0.82 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 0.00 121 T 8.37 3.30 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 1.20 0.00 0.00 122 L 7.60 4.49 0.00 1.61 1.68 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.66 4.48 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 124 P 0.00 4.71 0.00 1.97 2.01 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 125 A 8.41 4.21 1.47 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 0.00 0.00 0.00 126 S 8.50 4.51 0.00 3.94 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 0.00 127 N 9.08 4.51 0.00 2.73 3.07 0.00 0.00 6.99 7.66 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 *128 E 8.00 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.