NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 W 4.7445 8.1327 123.2517 56.7534 30.6835 173.9306 4 K 5.2291 8.4509 122.9221 52.3453 34.6939 173.1673 *6 Q 4.2115 8.6149 122.7816 55.7696 30.7849 173.1468 7 A 5.1275 8.1954 124.7383 50.4707 22.9788 174.9611 8 T 5.0036 8.6605 114.9961 61.5687 72.9258 173.8502 9 V 4.3563 8.9859 127.2275 63.3210 32.0493 176.2666 10 T 4.5707 8.8255 117.6580 62.2419 70.7686 173.8851 11 E 4.7911 7.8567 119.8749 55.7012 34.4932 174.5408 12 I 4.4742 8.1419 121.9442 59.7723 40.4949 175.5389 13 G 3.8971 9.0124 115.7341 45.7757 0.0000 174.1100 14 K 4.1039 8.7459 120.7331 58.9955 32.6993 177.3749 15 H 4.9095 8.2645 115.4875 55.4690 29.5422 174.7009 16 A 4.3141 8.1106 124.4661 53.9618 18.2974 178.8485 17 I 4.4228 7.5956 115.5956 59.4327 39.7110 174.6651 18 D 4.5695 8.3942 124.1567 52.2998 43.1475 175.2023 19 D 4.4350 8.8649 127.1597 56.5133 41.3195 177.0533 20 S 4.3024 9.0383 112.9484 59.5594 63.4766 173.9009 21 E 4.4175 7.9162 118.6200 53.8462 29.8959 175.4076 22 K 4.0354 8.2985 124.7796 57.0112 32.3027 175.3775 *24 I 4.1947 8.0464 124.8123 60.9444 39.0373 174.8083 25 I 4.5433 8.3661 128.5999 60.9421 38.4081 175.1573 26 L 5.2644 9.0687 127.5698 53.6385 44.3421 175.3436 27 F 4.9465 8.2504 122.0128 57.6975 43.1309 174.7522 28 G 4.0002 8.4623 113.2244 43.8559 0.0000 173.8208 29 E 4.1306 8.7654 119.1103 58.4871 29.6609 177.8374 30 T 4.3344 7.9769 106.7694 62.0003 69.3157 174.6611 31 A 3.8697 7.6804 125.3444 52.4572 19.0588 178.2161 32 T 4.4418 7.8278 111.8897 60.1278 72.0250 175.6522 33 D 4.3398 8.5034 120.7933 58.2445 40.5481 179.5318 34 T 3.8351 7.8688 113.9951 66.1788 68.7026 175.6989 35 L 4.3141 7.6368 119.6622 56.3014 42.1762 178.9225 36 K 3.9776 7.8517 119.1303 59.1968 31.9125 179.0926 37 Q 3.9694 7.8310 117.1764 58.8151 28.1568 177.5227 38 H 4.7265 8.0487 113.5316 55.6636 29.6516 173.6146 39 A 4.8525 7.8895 121.0699 50.2218 23.7635 175.0214 40 V 4.3928 8.6980 119.4610 61.8160 32.9676 174.9362 41 I 4.9562 8.4095 129.8807 60.6789 38.4314 175.0190 42 Q 5.0825 9.3810 125.1972 54.4235 32.0816 174.6415 43 S 4.7352 9.1614 117.5120 57.3496 63.6194 172.2477 44 F 5.3763 8.6412 131.0287 55.3291 39.2318 173.3676 45 P 4.3124 0.0000 0.0000 64.5024 31.6941 177.2090 46 E 4.6852 7.9890 116.6504 55.4972 30.4159 177.8556 47 K 2.4800 6.8915 122.1193 59.3460 32.3228 178.6023 48 D 4.2737 7.6865 117.5280 55.4103 39.2718 176.8532 49 Q 4.2525 7.7353 117.9287 56.0007 29.5174 176.1572 50 V 3.6999 7.1099 118.8051 61.6272 31.6726 176.0893 51 T 4.4144 8.2305 120.7963 61.7335 70.5205 173.2429 52 L 4.6544 7.9957 126.2543 53.8214 43.2019 176.3659 53 A 4.6972 8.9032 123.1396 50.3987 22.5058 175.7588 54 E 4.3514 8.5373 119.1559 58.3283 29.9590 176.8177 55 G 4.0605 8.8304 110.6073 45.6847 0.0000 173.7047 56 D 4.7552 7.9455 118.8822 54.6050 42.5451 174.9898 57 H 5.1613 8.9513 116.0044 54.1612 33.5644 173.0779 58 L 4.9667 9.1053 119.0674 53.1505 45.5422 175.7355 59 K 4.8329 9.0483 126.7171 55.1161 33.8577 175.2665 60 I 4.5317 8.9844 130.5850 59.1427 38.5049 176.3179 61 G 3.7287 8.6071 119.9894 47.1686 0.0000 172.7343 62 D 4.8089 8.7464 122.3590 53.2795 39.7004 176.1584 63 T 4.4112 8.0037 116.3891 62.6052 72.1242 172.1725 64 N 5.1881 8.4962 125.1234 52.5110 40.3450 173.5189 65 Y 5.0490 9.3099 123.4451 56.5956 41.9798 174.5702 66 T 4.8172 8.7967 119.3703 62.0403 71.2935 173.9614 67 I 4.6091 8.9250 127.4733 61.4161 37.8206 176.4911 68 T 4.4187 8.8400 117.5696 61.6364 70.1423 174.7713 69 K 4.2973 7.3893 120.2857 55.7604 35.5420 173.3650 70 V 4.8891 8.5493 126.5620 60.7577 34.0426 175.4240 71 G 4.0860 9.3450 115.9796 46.0919 0.0000 174.6573 72 S 4.3508 9.0115 115.7585 59.9888 63.3157 174.8504 73 F 4.5865 8.6477 119.0377 56.8724 40.1820 176.8193 74 A 4.0083 8.3200 125.0424 55.3858 18.1059 179.9853 75 N 4.2808 8.0993 114.7882 56.5202 38.6919 177.7227 76 S 4.2051 7.9564 115.1560 61.4223 63.2691 176.1173 77 N 4.4055 8.3400 120.1759 55.7918 38.2380 177.5413 78 L 4.0257 8.1131 120.6780 58.0210 41.6176 179.4360 79 Q 3.9130 8.1441 116.9223 58.5229 28.5947 178.5860 80 S 4.4113 7.7639 113.3906 59.9556 63.0008 174.9034 81 I 4.3443 6.9055 111.2480 59.2643 38.1161 174.7806 82 A 4.0030 7.7951 122.1799 53.9211 16.5897 176.3921 83 H 5.1237 7.6075 118.6293 56.1641 31.6370 173.8823 84 S 4.5353 8.6080 117.4825 58.0375 66.7867 174.2511 85 T 4.7490 8.3486 121.4957 61.6635 69.8454 173.7107 86 L 4.2743 8.6485 128.1343 54.3315 42.5365 176.9373 87 I 4.1857 8.2235 125.6660 59.1065 39.3537 176.1564 88 F 4.7387 8.2966 130.5322 54.4917 36.2764 175.0635 89 A 4.0085 7.2705 120.2504 51.0151 22.1324 176.3848 90 D 4.5318 8.5611 119.4426 54.2846 41.5176 176.7599 91 A 3.6195 8.0176 124.6848 50.5281 18.5832 176.0330 92 P 4.4161 0.0000 0.0000 62.7484 31.9905 177.8597 93 T 3.8543 8.3516 110.3068 63.8311 69.3295 173.7843 94 D 4.6249 7.4145 119.6761 52.5406 41.2958 176.2164 95 E 3.9902 8.9479 127.5790 59.8251 29.5640 179.2950 96 D 4.4585 8.2296 116.0434 56.3573 40.9070 176.5013 97 D 4.7233 8.1228 118.0235 54.0792 41.7356 177.1043 98 V 3.7826 7.6324 120.2507 62.5320 32.2535 175.5117 99 I 4.0266 8.6658 128.2193 61.0293 37.6089 177.3259 100 R 4.0872 8.9573 125.1774 58.8860 30.2992 177.7689 101 N 5.1247 8.1811 113.3299 52.4703 37.8867 174.2708 102 G 4.0146 7.8416 106.3898 46.1113 0.0000 173.7923 103 V 4.8694 8.3596 121.4969 61.0040 34.6294 173.9863 104 Y 4.6065 9.2570 127.3337 57.3839 38.9967 174.9803 105 L 5.3610 8.6987 123.8405 53.3114 45.5437 175.8705 106 T 5.0409 8.6126 114.4426 59.6968 71.1060 171.8434 107 P 4.7139 0.0000 0.0000 63.4280 31.8513 175.5458 108 H 5.0085 8.6288 114.8040 56.1817 28.6298 175.1352 109 Q 4.2869 8.0415 121.6096 55.0014 29.6267 175.6609 110 L 3.2658 8.1609 125.4722 53.8224 42.3033 175.1718 111 P 4.5772 0.0000 0.0000 62.0741 32.4259 175.9740 112 K 4.2717 8.4112 119.3883 55.6412 32.1564 176.5014 113 I 4.5438 8.1785 125.0130 59.5703 39.8730 175.0503 114 T 4.6745 8.5840 113.6680 59.6899 72.0227 173.0460 115 I 3.9398 8.1358 122.8782 62.8343 37.1417 176.4836 116 G 4.1090 8.7710 114.0712 45.5325 0.0000 174.1661 117 T 4.1324 8.1313 117.7586 64.0387 69.5960 173.6607 118 T 4.9692 8.4911 115.2501 60.3712 72.1099 173.7785 119 I 4.4321 8.4526 123.7117 59.6661 40.0467 174.0568 120 D 4.8454 8.9344 128.7429 53.6113 42.4150 175.5980 121 Y 4.4033 8.7754 122.2785 57.1655 39.4754 174.7191 122 L 4.7705 8.7491 126.5337 53.0455 42.5300 177.2139 123 V 4.4218 8.4397 122.5111 62.0966 31.1076 175.3299 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 *3 W 8.13 4.74 0.00 2.21 2.23 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 4 K 8.45 5.23 0.00 1.79 1.75 0.00 1.62 0.00 0.00 2.35 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.50 7.81 *6 Q 8.61 4.21 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 7 A 8.20 5.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.66 5.00 4.28 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 1.23 0.00 0.00 9 V 8.99 4.36 2.23 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 1.02 0.00 0.00 1.01 0.00 0.00 10 T 8.83 4.57 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 1.25 0.00 0.00 11 E 7.86 4.79 0.00 1.93 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 2.31 2.34 0.00 12 I 8.14 4.47 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 1.29 0.49 0.91 0.00 0.00 13 G 9.01 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 14 K 8.75 4.10 0.00 1.72 1.86 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 0.97 7.81 15 H 8.26 4.91 0.00 3.21 3.31 0.00 5.67 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 16 A 8.11 4.31 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 17 I 7.60 4.42 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.86 0.00 0.00 18 D 8.39 4.57 0.00 2.61 2.47 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 19 D 8.86 4.43 0.00 2.62 2.67 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 20 S 9.04 4.30 0.00 3.99 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 21 E 7.92 4.42 0.00 2.08 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 2.20 2.38 0.00 22 K 8.30 4.04 0.00 1.79 2.10 0.00 1.90 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.48 7.81 *24 I 8.05 4.19 2.06 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.76 0.96 0.00 0.00 25 I 8.37 4.54 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.76 1.12 0.00 0.00 26 L 9.07 5.26 0.00 1.64 1.66 0.99 0.73 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 27 F 8.25 4.95 0.00 3.23 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 28 G 8.46 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 0.00 0.00 0.00 29 E 8.77 4.13 0.00 2.00 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 2.33 2.35 0.00 30 T 7.98 4.33 4.33 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 1.26 0.00 0.00 31 A 7.68 3.87 1.02 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 0.00 0.00 32 T 7.83 4.44 4.20 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 1.18 0.00 0.00 33 D 8.50 4.34 0.00 2.67 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 34 T 7.87 3.84 4.20 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 1.20 0.00 0.00 35 L 7.64 4.31 0.00 1.42 1.32 0.57 0.65 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 36 K 7.85 3.98 0.00 1.92 1.82 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.42 1.53 7.81 37 Q 7.83 3.97 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.68 0.00 0.00 0.00 0.00 0.00 2.35 1.90 0.00 38 H 8.05 4.73 0.00 3.32 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.89 4.85 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 40 V 8.70 4.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.96 0.00 0.00 41 I 8.41 4.96 1.92 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 1.32 0.86 1.09 0.00 0.00 42 Q 9.38 5.08 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 43 S 9.16 4.74 0.00 3.95 3.86 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 44 F 8.64 5.38 0.00 3.06 2.71 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 0.00 0.00 0.00 0.00 45 P 0.00 4.31 0.00 2.15 2.15 0.00 4.05 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 46 E 7.99 4.69 0.00 2.01 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 2.29 2.31 0.00 47 K 6.89 2.48 0.00 1.47 1.05 0.00 1.28 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.10 1.27 7.81 48 D 7.69 4.27 0.00 2.70 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 49 Q 7.74 4.25 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 50 V 7.11 3.70 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 0.61 0.00 0.00 0.96 0.00 0.00 51 T 8.23 4.41 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 52 L 8.00 4.65 0.00 1.54 1.65 1.09 0.88 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 53 A 8.90 4.70 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 54 E 8.54 4.35 0.00 1.97 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 2.32 2.32 0.00 55 G 8.83 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 56 D 7.95 4.76 0.00 2.78 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 57 H 8.95 5.16 0.00 3.07 3.28 0.00 5.56 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.11 4.97 0.00 1.50 1.39 0.70 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 59 K 9.05 4.83 0.00 1.82 1.81 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.40 7.81 60 I 8.98 4.53 2.12 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 1.09 0.57 0.93 0.00 0.00 61 G 8.61 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 0.00 0.00 0.00 62 D 8.75 4.81 0.00 2.78 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 63 T 8.00 4.41 4.28 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 0.68 0.00 0.00 64 N 8.50 5.19 0.00 2.67 2.63 0.00 0.00 6.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 9.31 5.05 0.00 2.92 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 66 T 8.80 4.82 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 1.17 0.00 0.00 67 I 8.92 4.61 2.05 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 1.27 0.71 0.98 0.00 0.00 68 T 8.84 4.42 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 1.30 0.00 0.00 69 K 7.39 4.30 0.00 1.69 1.46 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.90 1.33 7.81 70 V 8.55 4.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 71 G 9.35 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 0.00 0.00 0.00 0.00 72 S 9.01 4.35 0.00 3.79 3.98 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 73 F 8.65 4.59 0.00 3.17 3.08 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 0.00 0.00 0.00 74 A 8.32 4.01 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 75 N 8.10 4.28 0.00 2.73 2.84 0.00 0.00 6.84 7.57 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 76 S 7.96 4.21 0.00 4.06 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.34 4.41 0.00 3.04 3.07 0.00 0.00 6.95 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.11 4.03 0.00 1.88 1.67 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.14 3.91 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 80 S 7.76 4.41 0.00 3.85 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 81 I 6.91 4.34 1.37 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.22 0.88 0.00 0.00 82 A 7.80 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.61 5.12 0.00 2.26 2.93 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.61 4.54 0.00 3.92 3.64 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 85 T 8.35 4.75 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 86 L 8.65 4.27 0.00 1.63 1.15 0.89 0.92 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 87 I 8.22 4.19 0.87 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.44 0.74 0.00 0.00 88 F 8.30 4.74 0.00 2.96 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 89 A 7.27 4.01 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 8.56 4.53 0.00 2.70 2.62 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 91 A 8.02 3.62 0.34 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 92 P 0.00 4.42 0.00 2.21 2.19 0.00 3.34 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 93 T 8.35 3.85 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 94 D 7.41 4.62 0.00 2.78 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 95 E 8.95 3.99 0.00 2.03 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 2.39 2.29 0.00 96 D 8.23 4.46 0.00 2.80 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 97 D 8.12 4.72 0.00 2.82 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 98 V 7.63 3.78 2.23 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 0.86 0.00 0.00 0.91 0.00 0.00 99 I 8.67 4.03 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.71 0.93 0.00 0.00 100 R 8.96 4.09 0.00 1.91 2.07 0.00 3.20 0.00 0.00 3.43 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 101 N 8.18 5.12 0.00 2.84 3.01 0.00 0.00 6.12 6.92 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 0.00 102 G 7.84 4.01 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 0.00 0.00 0.00 103 V 8.36 4.87 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 0.93 0.00 0.00 0.93 0.00 0.00 104 Y 9.26 4.61 0.00 3.06 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 0.00 105 L 8.70 5.36 0.00 0.88 1.47 0.18 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.61 5.04 4.34 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 1.33 0.00 0.00 107 P 0.00 4.71 0.00 2.25 2.03 0.00 3.56 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 1.89 1.80 0.00 108 H 8.63 5.01 0.00 3.26 3.59 0.00 5.71 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.04 4.29 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 110 L 8.16 3.27 0.00 1.47 1.32 0.76 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.58 0.00 2.24 2.27 0.00 3.14 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 112 K 8.41 4.27 0.00 1.77 1.80 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.44 7.81 113 I 8.18 4.54 1.86 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 1.47 0.75 0.91 0.00 0.00 114 T 8.58 4.67 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 0.00 115 I 8.14 3.94 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 1.35 0.54 0.97 0.00 0.00 116 G 8.77 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 0.00 0.00 0.00 117 T 8.13 4.13 4.31 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 1.21 0.00 0.00 118 T 8.49 4.97 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 1.22 0.00 0.00 119 I 8.45 4.43 1.69 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 1.14 1.11 0.38 0.00 0.00 120 D 8.93 4.85 0.00 2.56 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 0.00 121 Y 8.78 4.40 0.00 2.94 2.99 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 0.00 122 L 8.75 4.77 0.00 1.66 1.64 0.93 0.63 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 0.00 123 V 8.44 4.42 2.14 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 1.07 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.