NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3767 8.0333 115.2483 60.9989 68.8026 174.5846 3 P 4.0958 0.0000 0.0000 64.7649 30.9755 177.2522 4 A 3.9700 8.8660 120.7662 55.5462 18.7852 179.4830 5 I 3.4097 7.6333 117.3094 64.4330 37.1371 178.2885 6 D 4.3736 8.4739 120.2172 57.2148 40.6407 178.6421 7 L 3.9222 7.9542 120.7729 58.1944 42.1179 179.0384 8 L 3.9731 7.5072 119.0501 57.7131 40.9719 179.7367 9 K 4.1350 8.0939 118.4702 59.1557 31.8124 179.1901 10 K 3.9291 8.2071 119.4631 59.2649 32.2025 177.8932 11 Q 4.3704 8.0138 114.6897 54.5478 29.1888 175.5677 12 K 3.9166 7.5242 117.7228 57.3186 30.2526 175.5163 13 I 4.0727 7.8589 119.6648 59.9501 37.6710 174.7396 14 P 4.3276 0.0000 0.0000 63.1566 31.6392 175.3399 15 F 5.0346 7.9080 115.8881 56.1987 40.8474 173.0518 16 I 4.3503 8.7314 120.3914 59.3469 40.0720 174.4588 17 L 4.8988 8.4942 128.9500 54.3933 43.1922 175.0562 18 H 5.1351 9.3292 123.4640 54.3813 31.5753 173.4234 19 T 5.2308 8.6773 118.6215 61.9718 71.1433 172.7439 20 Y 4.9427 8.2445 122.0980 55.3536 42.3594 174.5638 21 D 4.6443 8.8728 120.7374 53.3888 40.3115 176.1385 22 H 4.6528 8.6944 120.5475 55.3061 29.5885 174.7762 23 D 4.7342 8.4637 122.6388 53.0100 41.6311 176.2404 24 P 4.1107 0.0000 0.0000 64.8293 32.3301 176.3834 25 N 4.9389 7.8598 114.0162 52.0861 38.8944 175.8472 *31 D 4.3548 7.4179 118.5466 53.5673 42.2212 174.5662 32 E 3.8196 8.2181 123.5203 58.7921 29.9291 177.7644 33 A 2.9607 7.6704 119.9341 54.5889 18.5479 179.2190 34 A 3.6721 8.0231 119.2028 55.2791 18.3539 179.3676 35 E 3.7732 7.7862 116.8711 59.8636 29.4355 179.8943 36 K 4.1360 8.0095 116.5198 58.0673 32.3378 178.4125 37 L 4.4277 7.6009 117.4387 53.1809 42.6986 176.1517 38 G 3.8334 7.3292 105.5676 46.5456 0.0000 173.7833 39 I 4.1841 7.2142 118.5447 58.7503 39.3195 176.2428 40 D 4.4140 8.1954 123.3304 52.6992 40.1456 175.8407 41 P 4.2008 0.0000 0.0000 65.4682 31.6105 178.3814 42 N 4.3453 8.0317 114.5169 55.5867 38.7590 175.8225 43 R 4.0217 7.7571 115.7983 56.1201 30.9343 175.2488 44 S 5.0295 7.6714 114.3967 56.8994 63.6268 172.6104 45 F 5.2661 9.4129 127.0610 55.6133 41.1361 175.5928 46 K 4.6775 9.0178 122.1316 55.8266 35.5900 175.1075 47 T 5.1766 8.4173 117.0749 61.8901 70.8644 173.5623 48 L 4.9300 9.2456 126.5902 52.9239 45.0378 175.6799 49 L 5.3813 8.5971 121.7275 53.4237 44.4015 175.9447 50 V 4.8597 8.8795 113.4045 59.7272 36.7186 174.1562 51 A 5.1586 9.0081 124.3594 50.0864 21.3219 176.2595 52 E 4.1981 9.2666 123.7130 57.1835 30.5920 177.1633 53 N 4.1371 10.4234 122.1092 54.1695 36.9696 175.4585 54 G 3.8055 8.2006 103.7567 45.6641 0.0000 173.8397 55 D 4.5755 7.9128 120.6445 53.2301 40.9118 176.8359 56 Q 4.2570 8.6808 125.7740 56.9818 29.1601 176.7452 57 K 4.4803 8.1682 116.5419 56.4468 32.9419 177.1582 58 K 4.5204 7.9519 121.5334 55.0066 31.9421 175.3387 59 L 5.1686 8.0945 122.9674 53.5356 43.9729 175.2284 60 A 4.8429 8.9144 121.1659 50.5696 23.4320 174.4712 61 C 5.1995 8.8561 119.8822 57.5389 34.5980 172.8076 62 F 5.1966 9.3565 124.3352 55.5825 42.4846 173.9490 63 V 5.1162 8.6940 123.5779 61.0918 33.6866 174.2444 64 L 5.1714 9.2613 126.7427 54.0726 44.3254 174.7319 65 A 3.7135 8.1891 122.1065 52.4470 18.6963 178.9344 66 T 3.7267 8.4210 111.3622 64.4954 68.9501 175.7350 67 A 4.2227 7.7267 123.3572 53.9586 19.6978 179.5266 68 N 4.5710 7.3681 114.8861 52.5691 38.2628 174.2959 *70 L 3.8430 8.2912 124.6716 55.8829 43.1308 176.2303 71 N 4.6380 8.5543 124.9897 52.1545 38.5904 175.4215 72 L 3.8452 8.2808 127.3209 57.2988 41.6510 179.6676 73 K 3.9280 8.0060 118.3091 59.4079 32.1385 179.1555 74 K 3.9217 8.7189 118.8902 59.4130 31.7382 179.2661 75 A 3.8523 7.8380 119.6820 54.9080 18.4959 178.9833 76 A 4.1206 8.1383 119.7245 55.5707 18.5554 179.8207 77 K 3.9451 8.1069 117.9979 59.6133 31.9900 179.0005 78 S 4.3905 8.2228 113.8771 60.1374 62.9560 174.8456 79 I 4.3934 7.4217 113.7094 59.9383 37.7993 175.4698 80 G 3.8530 8.0644 107.9018 47.0541 0.0000 173.9099 81 V 4.4836 7.5473 117.0601 60.0598 34.6600 175.5002 82 K 4.0933 8.7025 124.5439 59.0244 32.3565 176.6421 83 K 4.8062 8.1200 115.5735 54.9271 37.1583 175.0024 84 V 4.7113 8.2236 119.7479 63.1084 34.8337 173.0355 85 E 4.3355 9.0643 122.0936 56.6459 32.1250 177.0297 *87 A 4.4090 9.1061 123.5216 52.1304 20.8378 178.0420 88 D 4.3564 9.1370 121.9088 54.8129 42.2995 177.9722 89 K 3.8567 8.9032 125.1090 60.0828 32.1112 178.3567 90 D 4.3126 8.0672 117.9016 57.2677 40.8655 178.2854 91 A 3.9579 8.0398 120.5481 55.1377 18.3713 179.1346 92 A 3.9485 8.0307 119.1496 55.5144 18.4759 179.6098 93 Q 4.1922 7.8085 118.6517 58.9308 28.9291 178.7596 94 K 4.1477 7.8653 118.2856 59.1538 32.3512 179.1992 95 S 4.2161 8.2885 113.9805 61.5582 62.4511 176.2335 96 T 4.0080 8.4250 113.0224 62.5223 68.6653 176.5168 97 G 3.7678 8.4955 108.1154 45.1878 0.0000 172.2704 98 Y 4.9619 7.7809 116.9203 55.9354 41.2065 174.7771 99 L 4.5542 8.1879 120.8411 53.1268 43.2502 176.7146 100 V 3.6925 8.2738 121.0243 64.9992 31.6031 176.6706 101 G 4.0621 9.6656 114.0688 45.8446 0.0000 173.9815 102 G 4.0728 8.5408 108.4125 45.1527 0.0000 172.4775 103 I 4.0830 7.8362 121.5535 60.1105 37.0991 175.8305 104 S 4.3279 7.0363 120.6811 56.5128 63.0615 172.4974 105 P 4.4013 0.0000 0.0000 64.5551 31.4899 176.2126 106 L 4.5277 7.7609 119.2729 54.3015 43.1656 176.5021 107 G 3.9587 8.8641 109.7036 46.1040 0.0000 173.6947 108 Q 4.2786 7.8900 117.5019 55.2852 29.4707 176.7057 109 K 3.9858 8.2555 121.4392 59.1795 32.2401 177.6754 110 K 4.3849 7.6682 117.1786 54.3958 33.1907 176.4686 111 R 3.9938 8.4906 124.6100 56.3086 30.3551 175.6838 112 V 4.5712 7.9157 117.4542 58.7231 35.9826 175.0339 113 K 4.2010 8.2512 119.8546 57.4933 33.8226 176.0771 114 T 4.8555 8.2089 117.9398 61.7504 72.6283 172.8098 115 V 4.4820 8.0520 125.2858 61.0384 35.0424 174.0910 116 I 4.9986 8.4434 128.3077 59.2872 40.0044 174.7084 117 N 5.2398 9.1122 124.7887 53.2079 39.7708 176.2002 118 S 4.3749 9.1715 121.5323 62.0140 62.9574 176.9552 119 T 3.9359 8.0290 110.8201 64.6226 68.1685 175.8941 120 A 4.4114 8.4282 123.9900 55.4699 18.1451 178.9836 121 L 4.0150 7.7971 115.0709 56.0379 41.6914 178.0763 122 E 4.1597 7.8002 117.1006 55.5501 30.2500 175.7320 123 F 5.0863 6.9367 118.2343 55.7184 41.9356 175.6528 124 E 4.1903 8.9797 122.8122 59.1824 29.5980 177.0784 125 T 5.0696 7.7127 105.9333 59.8211 72.3622 172.8098 126 I 4.8418 8.9706 115.4192 59.4988 41.9044 173.2691 127 Y 5.0827 9.0972 119.6296 56.3926 40.4937 175.7731 128 V 5.1000 8.7775 116.3059 58.9459 36.4598 174.8722 129 S 4.3397 8.7643 116.7779 58.8412 62.5812 173.9739 130 G 3.7217 8.8785 113.4848 46.2562 0.0000 174.4641 131 G 3.7604 9.8717 108.6988 44.2425 0.0000 173.7722 132 K 4.4074 7.3868 116.2154 55.1382 34.9956 175.1469 133 R 3.9701 8.4672 120.9351 58.4265 30.4532 177.0604 134 G 2.6942 8.8314 110.0957 43.8531 0.0000 172.2385 135 L 5.1336 7.6033 119.8562 52.7661 45.1710 175.5035 136 S 5.0969 9.2607 117.7139 56.5395 66.0837 172.5606 137 V 4.5719 8.8405 127.4354 61.8466 32.9337 174.0235 138 E 4.4897 9.2242 130.0040 55.0652 31.2074 174.5874 139 I 4.8232 8.4388 125.5619 59.2962 42.3318 173.7843 140 A 4.7099 8.9506 131.0045 51.0342 19.0544 176.8297 141 P 4.3070 0.0000 0.0000 66.2542 31.3005 179.0538 142 Q 4.2435 8.0855 117.1608 58.6422 28.6745 178.1377 143 D 4.3910 7.9835 119.8663 56.9547 41.0741 178.2022 144 L 3.8584 8.1436 120.7541 58.2103 42.0524 178.8876 145 A 3.8281 8.2123 120.8094 54.9795 17.7078 179.5727 146 K 3.8671 8.1139 118.1994 59.5902 32.0757 179.2486 147 V 3.6028 7.6169 117.5640 65.4757 31.5675 177.0863 148 L 4.4359 7.6645 115.1615 53.2639 42.2817 176.4208 149 G 3.8429 7.5489 106.0698 46.4125 0.0000 173.6695 150 A 4.7431 7.8477 119.5589 49.9052 20.6837 177.5636 151 E 4.5057 8.3151 119.8271 54.6846 32.5711 174.5304 152 F 5.4312 8.6411 123.0506 56.4111 40.4382 175.2950 153 T 4.8169 8.6946 119.1860 61.7421 73.6310 172.8620 154 D 4.7700 8.8354 124.2067 54.2187 41.7178 175.6103 155 I 4.5884 8.5533 117.6286 60.2754 38.6473 174.8962 156 V 4.6357 7.6317 113.2943 60.0486 34.4077 174.7161 157 D 4.7039 8.1659 120.4261 54.1848 43.1103 176.6924 158 E 4.0649 8.7039 120.2847 57.5172 30.5284 174.7519 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 T 8.03 4.38 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 1.39 0.00 0.00 3 P 0.00 4.10 0.00 2.47 2.06 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 4 A 8.87 3.97 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 5 I 7.63 3.41 1.87 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 1.56 0.84 1.02 0.00 0.00 6 D 8.47 4.37 0.00 2.80 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 7 L 7.95 3.92 0.00 1.83 1.76 0.90 0.54 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 8 L 7.51 3.97 0.00 1.37 1.55 -0.19 0.79 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 9 K 8.09 4.13 0.00 2.02 1.92 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.67 1.80 7.81 10 K 8.21 3.93 0.00 1.87 2.00 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 11 Q 8.01 4.37 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 12 K 7.52 3.92 0.00 1.94 1.91 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.55 7.81 13 I 7.86 4.07 1.94 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 1.32 0.74 0.96 0.00 0.00 14 P 0.00 4.33 0.00 2.06 2.00 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 15 F 7.91 5.03 0.00 3.08 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 16 I 8.73 4.35 1.98 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 1.02 0.67 0.75 0.00 0.00 17 L 8.49 4.90 0.00 1.88 1.62 1.07 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 18 H 9.33 5.14 0.00 3.51 3.36 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.68 5.23 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 1.17 0.00 0.00 20 Y 8.24 4.94 0.00 3.06 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 21 D 8.87 4.64 0.00 2.75 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 22 H 8.69 4.65 0.00 3.35 3.34 0.00 5.50 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.46 4.73 0.00 2.72 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 24 P 0.00 4.11 0.00 2.05 2.09 0.00 3.54 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.13 0.00 25 N 7.86 4.94 0.00 2.67 2.74 0.00 0.00 6.93 7.68 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 *31 D 7.42 4.35 0.00 2.64 2.53 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 0.00 0.00 0.00 0.00 32 E 8.22 3.82 0.00 2.07 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 2.28 2.35 0.00 33 A 7.67 2.96 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 34 A 8.02 3.67 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 35 E 7.79 3.77 0.00 2.09 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 2.25 2.60 0.00 36 K 8.01 4.14 0.00 1.38 1.81 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.43 1.37 7.81 37 L 7.60 4.43 0.00 1.50 1.52 0.94 0.81 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 38 G 7.33 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 39 I 7.21 4.18 1.49 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.27 0.36 0.00 0.00 40 D 8.20 4.41 0.00 2.79 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 41 P 0.00 4.20 0.00 2.12 2.05 0.00 3.54 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 2.05 2.03 0.00 42 N 8.03 4.35 0.00 2.75 3.09 0.00 0.00 6.87 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 43 R 7.76 4.02 0.00 1.74 1.86 0.00 3.00 0.00 0.00 3.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.50 0.00 44 S 7.67 5.03 0.00 3.78 3.72 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 45 F 9.41 5.27 0.00 3.03 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 46 K 9.02 4.68 0.00 1.84 1.94 0.00 1.26 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.45 7.81 47 T 8.42 5.18 4.43 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 1.25 0.00 0.00 48 L 9.25 4.93 0.00 1.63 1.58 0.94 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.60 5.38 0.00 1.57 1.63 0.96 0.96 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 50 V 8.88 4.86 2.24 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 0.71 0.00 0.00 1.19 0.00 0.00 51 A 9.01 5.16 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 52 E 9.27 4.20 0.00 1.95 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 2.39 2.48 0.00 53 N 10.42 4.14 0.00 2.78 2.86 0.00 0.00 7.11 8.26 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 54 G 8.20 3.81 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 0.00 0.00 0.00 55 D 7.91 4.58 0.00 2.71 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 56 Q 8.68 4.26 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 57 K 8.17 4.48 0.00 1.88 1.88 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.53 7.81 58 K 7.95 4.52 0.00 1.72 1.77 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.38 7.81 59 L 8.09 5.17 0.00 1.54 1.62 0.94 0.90 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 60 A 8.91 4.84 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 61 C 8.86 5.20 0.00 2.89 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 62 F 9.36 5.20 0.00 3.09 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 63 V 8.69 5.12 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 1.09 0.00 0.00 0.92 0.00 0.00 64 L 9.26 5.17 0.00 1.76 1.83 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.19 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.42 3.73 4.19 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 1.31 0.00 0.00 67 A 7.73 4.22 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 68 N 7.37 4.57 0.00 2.85 2.66 0.00 0.00 6.89 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 L 8.29 3.84 0.00 1.58 1.56 0.81 0.70 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 71 N 8.55 4.64 0.00 2.85 2.76 0.00 0.00 6.84 6.25 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 72 L 8.28 3.85 0.00 1.67 1.62 0.92 0.83 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 73 K 8.01 3.93 0.00 1.92 1.84 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.51 7.81 74 K 8.72 3.92 0.00 1.89 2.03 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.59 7.81 75 A 7.84 3.85 0.40 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 76 A 8.14 4.12 1.44 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 0.00 0.00 77 K 8.11 3.95 0.00 1.93 2.06 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 78 S 8.22 4.39 0.00 4.20 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 0.00 79 I 7.42 4.39 1.92 0.00 0.00 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 1.71 0.96 0.96 0.00 0.00 80 G 8.06 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 81 V 7.55 4.48 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 0.92 0.00 0.00 0.96 0.00 0.00 82 K 8.70 4.09 0.00 1.76 2.05 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 K 8.12 4.81 0.00 1.70 1.62 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 84 V 8.22 4.71 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 0.71 0.00 0.00 0.98 0.00 0.00 85 E 9.06 4.34 0.00 1.92 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 2.27 2.27 0.00 *87 A 9.11 4.41 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 88 D 9.14 4.36 0.00 2.74 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 89 K 8.90 3.86 0.00 1.83 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.59 7.81 90 D 8.07 4.31 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 91 A 8.04 3.96 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 92 A 8.03 3.95 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 93 Q 7.81 4.19 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 94 K 7.87 4.15 0.00 1.78 1.84 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.58 7.81 95 S 8.29 4.22 0.00 3.94 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 96 T 8.43 4.01 4.43 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 1.32 0.00 0.00 97 G 8.50 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 0.00 0.00 0.00 98 Y 7.78 4.96 0.00 3.06 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 99 L 8.19 4.55 0.00 1.75 1.61 0.95 0.77 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 0.00 100 V 8.27 3.69 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 0.79 0.00 0.00 0.96 0.00 0.00 101 G 9.67 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 0.00 102 G 8.54 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 0.00 0.00 0.00 103 I 7.84 4.08 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 1.01 0.00 0.00 104 S 7.04 4.33 0.00 3.41 3.62 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 0.00 105 P 0.00 4.40 0.00 2.17 2.15 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 106 L 7.76 4.53 0.00 1.61 1.58 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.86 3.96 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 0.00 0.00 0.00 108 Q 7.89 4.28 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.99 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 109 K 8.26 3.99 0.00 1.89 1.80 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.28 7.81 110 K 7.67 4.38 0.00 1.87 1.72 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.33 7.81 111 R 8.49 3.99 0.00 1.74 1.82 0.00 3.15 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 1.58 1.62 0.00 112 V 7.92 4.57 2.24 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 0.85 0.00 0.00 0.89 0.00 0.00 113 K 8.25 4.20 0.00 1.73 1.87 0.00 1.44 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.39 7.81 114 T 8.21 4.86 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 1.05 0.00 0.00 115 V 8.05 4.48 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 1.07 0.00 0.00 0.76 0.00 0.00 116 I 8.44 5.00 1.35 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.83 0.99 0.00 0.00 117 N 9.11 5.24 0.00 3.01 3.00 0.00 0.00 7.09 7.28 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 0.00 118 S 9.17 4.37 0.00 4.00 3.96 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 0.00 119 T 8.03 3.94 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 1.31 0.00 0.00 120 A 8.43 4.41 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 0.00 121 L 7.80 4.02 0.00 1.58 1.51 -0.22 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 122 E 7.80 4.16 0.00 1.76 1.79 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 1.87 1.47 0.00 123 F 6.94 5.09 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 0.00 124 E 8.98 4.19 0.00 2.06 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 2.47 2.28 0.00 125 T 7.71 5.07 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 1.23 0.00 0.00 126 I 8.97 4.84 1.74 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.90 0.00 0.00 127 Y 9.10 5.08 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 0.00 128 V 8.78 5.10 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 0.74 0.00 0.00 0.90 0.00 0.00 129 S 8.76 4.34 0.00 3.86 3.84 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 0.00 130 G 8.88 3.72 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 0.00 0.00 0.00 131 G 9.87 3.76 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 0.00 0.00 0.00 132 K 7.39 4.41 0.00 1.86 1.85 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.33 7.81 133 R 8.47 3.97 0.00 1.57 1.81 0.00 3.23 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.64 0.00 134 G 8.83 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 0.00 0.00 0.00 135 L 7.60 5.13 0.00 1.54 1.52 0.90 0.65 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 0.00 136 S 9.26 5.10 0.00 4.12 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 0.00 137 V 8.84 4.57 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 0.86 0.00 0.00 0.81 0.00 0.00 138 E 9.22 4.49 0.00 1.24 1.78 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 2.03 1.61 0.00 139 I 8.44 4.82 1.86 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 1.15 1.07 0.85 0.00 0.00 140 A 8.95 4.71 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 0.00 141 P 0.00 4.31 0.00 2.35 2.37 0.00 3.87 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 2.06 2.27 0.00 142 Q 8.09 4.24 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 143 D 7.98 4.39 0.00 2.84 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 0.00 144 L 8.14 3.86 0.00 1.71 1.80 0.85 1.07 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 0.00 145 A 8.21 3.83 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 0.00 146 K 8.11 3.87 0.00 1.96 1.82 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.44 7.81 147 V 7.62 3.60 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 0.90 0.00 0.00 1.03 0.00 0.00 148 L 7.66 4.44 0.00 1.59 1.59 0.88 0.77 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 0.00 149 G 7.55 3.84 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 0.00 0.00 0.00 150 A 7.85 4.74 0.96 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 0.00 0.00 151 E 8.32 4.51 0.00 1.98 1.75 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 2.32 2.32 0.00 152 F 8.64 5.43 0.00 2.93 2.97 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 0.00 153 T 8.69 4.82 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 1.29 0.00 0.00 154 D 8.84 4.77 0.00 2.72 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 0.00 155 I 8.55 4.59 1.89 0.00 0.00 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 1.57 0.90 1.10 0.00 0.00 156 V 7.63 4.64 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 0.82 0.00 0.00 1.00 0.00 0.00 157 D 8.17 4.70 0.00 2.65 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 0.00 158 E 8.70 4.06 0.00 2.08 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 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.