NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3345 0.0000 0.0000 62.6762 32.5229 176.6905 6 T 4.1110 8.1631 112.0827 60.6064 71.6567 174.1926 7 I 3.8545 8.2492 121.0707 64.4658 37.6100 179.0361 8 N 4.2479 8.2125 117.4309 57.1530 38.5314 176.4520 9 Q 4.0275 8.2996 119.2033 59.1878 28.6349 179.1234 10 L 4.0482 8.0161 119.8149 57.4891 41.4168 179.5983 11 V 3.6452 7.6026 117.2562 65.3514 31.6435 177.0153 12 R 3.9091 8.0605 117.4534 57.3451 29.4155 177.7728 13 K 3.8233 6.1245 123.7505 59.8909 33.2202 176.7234 14 G 4.2432 7.9706 107.5072 44.9695 0.0000 173.5382 15 R 4.1051 8.2987 119.3228 55.6666 30.8464 175.7449 16 E 4.6077 8.3271 121.0286 53.8674 31.4601 176.1096 17 K 4.1065 8.5292 125.6711 56.4935 32.2022 176.8662 18 V 3.4823 7.7265 115.6741 60.8374 32.0930 172.1091 19 R 3.8659 7.9047 130.0732 55.5967 30.8229 175.8659 20 K 4.6743 8.3371 123.4160 54.6588 35.2239 175.7291 21 K 4.1326 8.2848 119.8543 55.8512 32.8714 177.7073 22 S 4.2440 8.5118 117.9252 57.4687 60.8205 174.1623 23 K 3.7215 8.3377 129.0275 58.5242 32.1816 176.7081 24 V 4.2127 7.8277 118.1997 61.3125 33.9797 173.4431 25 P 4.5675 0.0000 0.0000 61.4839 29.8050 175.8720 26 A 4.0421 7.8696 122.2604 53.0133 18.9214 177.3691 27 L 3.7982 7.4897 117.3117 55.2548 41.6459 174.3587 28 K 3.9324 9.5209 116.9901 56.2479 29.9970 175.1408 29 G 3.9745 8.0080 104.2692 46.2551 0.0000 173.9676 30 A 4.2948 8.2705 121.1278 50.5854 19.5429 176.8261 31 P 4.1346 0.0000 0.0000 65.3831 31.4472 176.3376 32 F 5.0488 7.7286 112.5652 56.2352 43.7124 173.6685 33 R 4.7309 8.8221 118.5629 55.0784 33.2162 174.2691 34 R 4.8754 8.6209 125.4459 55.7572 32.4196 174.8977 35 G 3.9902 8.4934 108.0021 45.9486 0.0000 172.5387 36 V 4.8226 7.7689 121.5201 61.1950 34.0822 174.6036 37 C 4.6911 8.8346 124.6981 60.2156 28.3129 173.1676 38 T 4.2492 9.0766 119.5809 63.7420 67.6452 174.7389 39 V 4.4833 7.6134 119.7234 61.1209 35.6007 173.8684 40 V 4.5922 8.3093 124.3098 61.0248 31.3712 175.3781 41 R 4.7134 8.1991 129.1986 55.6530 33.4547 175.4507 42 T 4.7656 8.3755 113.3823 62.0782 68.9256 174.6841 43 V 4.4138 8.6371 123.4596 60.4023 34.1566 175.1651 44 T 4.8705 8.1317 111.4829 59.5281 71.1872 172.6254 45 P 4.6209 0.0000 0.0000 61.1196 32.9820 177.0444 46 K 4.5834 8.1019 123.5343 55.5231 30.4883 178.0571 47 K 3.6755 8.9121 116.2446 58.1265 31.1497 174.1332 48 P 4.5470 0.0000 0.0000 63.2197 32.9323 176.4227 49 N 4.7150 7.8143 116.6217 53.1099 39.5732 174.0413 50 S 4.4746 7.5945 111.9893 57.4710 65.4193 173.5384 51 A 4.3971 7.8035 127.7758 52.7276 22.6978 175.6719 52 L 4.9531 8.2620 110.5787 53.2005 42.5971 175.5614 53 R 4.2117 8.8663 121.3193 56.0200 31.7795 176.0528 54 K 4.3815 8.8289 123.5965 56.1044 32.7118 176.1020 55 V 5.0017 8.4396 124.2737 61.1539 36.0823 173.8388 56 A 5.0068 8.7152 123.5104 50.3314 22.9603 175.4955 57 K 4.7012 8.6756 122.2626 55.8811 33.5674 176.2031 58 V 4.6768 9.2743 126.0810 61.1395 34.6580 174.6928 59 R 4.6660 9.2355 129.1597 54.6722 30.3064 175.5714 60 L 4.8658 8.5277 126.1651 53.9336 42.3362 177.5397 61 T 4.0834 8.5354 109.6006 63.9528 69.4558 174.7774 62 S 4.5654 8.0557 118.1427 60.2524 63.4951 174.4091 63 G 3.9906 8.1477 104.1375 47.6311 0.0000 173.8421 64 Y 4.3893 7.5632 119.3417 58.9085 39.1405 174.1575 65 E 5.9800 8.3940 124.8595 57.1810 32.3975 177.9021 66 V 4.7930 7.6013 119.0489 59.8921 36.0846 174.3797 67 T 4.6773 8.6769 113.5462 62.1927 70.5766 172.9954 68 A 5.0656 8.9685 124.0648 50.8704 23.1020 175.3823 69 Y 4.6434 8.9697 123.8153 57.6510 40.4896 174.7853 70 I 4.3974 6.4636 125.4959 58.6444 39.0849 173.8207 71 P 4.1623 0.0000 0.0000 62.9586 31.6854 176.7760 72 G 4.1583 8.7095 108.7318 45.2505 0.0000 172.1231 73 E 4.5011 8.6156 117.7852 55.1098 31.2164 173.2308 74 G 4.0784 8.8929 119.1896 45.2483 0.0000 172.5223 75 H 4.9747 8.2443 117.3417 54.6581 31.1928 172.6741 76 N 5.0130 8.4704 112.4044 52.4401 36.9297 174.1853 77 L 4.6275 7.5125 117.3982 54.0062 44.3113 176.3338 78 Q 4.6755 8.6518 121.5420 53.4581 32.2087 175.9490 79 E 4.1463 8.7998 118.1862 58.7520 29.4681 176.5413 80 H 4.9357 7.8224 111.0087 56.2141 31.7321 173.6229 81 S 4.7590 8.5728 115.8541 57.9585 64.3789 173.2392 82 V 4.5378 8.4689 121.6125 61.4959 33.0337 174.6129 83 V 4.5995 9.1350 128.0947 61.0178 35.0544 173.6046 84 L 5.1358 8.4459 127.0536 53.5619 44.5300 174.8573 85 I 4.8120 9.1075 127.1493 60.3266 39.1331 175.4374 86 R 4.3196 10.1245 126.9102 58.2751 31.7259 176.6844 87 G 3.8569 9.9068 110.6336 46.7221 0.0000 172.5186 88 G 3.8542 7.4949 107.0217 44.0140 0.0000 172.7248 89 R 4.0650 8.5090 121.8138 55.8806 30.2155 175.8848 90 V 4.1220 7.8023 116.2186 60.9259 32.6534 177.3269 91 K 4.3918 8.3933 132.5615 55.3621 30.8486 176.6406 92 D 4.6980 10.6100 115.2932 53.9067 46.8077 173.6656 93 L 4.6892 7.5149 119.2716 51.0191 41.7324 172.0868 94 P 4.3675 0.0000 0.0000 63.6075 31.9458 175.2996 95 G 4.0557 8.9743 114.2190 46.1129 0.0000 174.4550 96 V 4.0368 7.5837 119.4083 61.7032 31.9302 175.7504 97 R 4.5622 8.4848 122.6768 55.9782 33.5629 173.6922 98 Y 5.0426 7.8703 115.8674 57.0740 42.6199 173.5742 99 H 5.4533 9.0809 118.7208 54.2269 32.2955 173.5605 100 I 4.6231 8.3584 122.4259 60.5741 37.8598 176.1991 101 V 3.7338 8.5673 128.0191 62.5258 31.0953 176.0726 102 R 3.9222 8.5279 127.1668 57.3254 30.5008 176.7061 103 G 4.3781 8.6613 107.0352 45.6002 0.0000 173.7884 104 V 4.1084 7.1964 117.3693 61.7398 35.1961 175.5978 105 Y 3.5880 8.3755 124.0497 59.0150 36.3245 171.7519 106 D 4.3469 8.4418 123.6626 56.4838 41.0033 175.3227 107 A 4.5878 8.4943 124.5964 50.3864 19.7207 176.3443 108 A 4.6832 8.5224 126.7380 50.8066 20.0728 177.1365 109 G 4.0201 8.6140 110.2384 46.3203 0.0000 172.9468 110 V 3.9862 7.9724 120.4381 62.4684 31.9035 175.4466 111 K 4.0856 8.6998 129.1109 56.6536 33.3703 176.5621 112 D 4.9469 8.7750 125.2585 55.1017 38.3076 173.5412 113 R 4.4338 7.2350 118.5969 55.4712 31.0281 176.3367 114 K 4.6505 8.1916 119.2223 56.5132 35.9323 179.2471 115 K 4.5277 7.6184 120.9462 54.9886 31.1618 178.9880 116 S 4.1988 8.6926 124.4501 59.8903 62.7457 174.1932 117 R 5.0573 8.3371 121.4757 54.3229 32.1665 176.2715 118 S 4.1551 8.1123 112.9316 61.4208 62.9248 174.0673 119 K 4.1739 7.8038 119.3454 58.1456 32.7686 177.8821 120 Y 3.6339 8.5567 118.4378 57.1840 36.0377 170.6556 121 G 3.9862 8.0229 105.9248 46.1168 0.0000 174.1643 122 T 4.0708 7.5737 115.7678 62.9712 69.0076 174.7950 123 K 4.1883 8.2988 124.3357 55.8281 32.8568 176.9004 124 K 4.0387 8.4296 123.3115 55.8371 32.6543 175.0542 125 P 4.6987 0.0000 0.0000 61.3488 33.4290 174.0922 126 K 4.5781 8.1184 118.6552 54.8113 33.9095 175.7267 127 E 4.0008 8.8494 124.2158 57.6665 29.9479 175.2906 128 A 3.3746 7.6867 122.7731 52.0922 15.0491 176.9621 *129 A 4.1172 8.0248 122.6782 52.0940 18.9464 177.0918 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 P 0.00 4.33 0.00 2.19 2.12 0.00 3.73 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 1.88 1.96 0.00 6 T 8.16 4.11 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 7 I 8.25 3.85 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 1.52 1.13 0.91 0.00 0.00 8 N 8.21 4.25 0.00 2.75 2.83 0.00 0.00 7.14 6.77 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 9 Q 8.30 4.03 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.02 4.05 0.00 1.80 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.60 3.65 2.22 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 0.87 0.00 0.00 0.97 0.00 0.00 12 R 8.06 3.91 0.00 1.97 1.74 0.00 3.24 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 13 K 6.12 3.82 0.00 1.80 1.89 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.97 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 0.00 0.00 0.00 0.00 15 R 8.30 4.11 0.00 1.81 1.87 0.00 3.32 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.33 4.61 0.00 1.89 1.81 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 2.18 2.28 0.00 17 K 8.53 4.11 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 18 V 7.73 3.48 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 0.66 0.00 0.00 0.93 0.00 0.00 19 R 7.90 3.87 0.00 1.94 1.96 0.00 3.19 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.34 4.67 0.00 1.86 1.74 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 21 K 8.28 4.13 0.00 1.74 1.78 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.48 7.81 22 S 8.51 4.24 0.00 3.85 3.78 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 23 K 8.34 3.72 0.00 1.70 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.43 7.81 24 V 7.83 4.21 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 0.96 0.00 0.00 0.59 0.00 0.00 25 P 0.00 4.57 0.00 2.14 2.19 0.00 3.86 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 26 A 7.87 4.04 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 27 L 7.49 3.80 0.00 1.79 1.69 0.78 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.52 3.93 0.00 1.83 1.84 0.00 1.90 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 29 G 8.01 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 30 A 8.27 4.29 1.35 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 0.00 0.00 0.00 31 P 0.00 4.13 0.00 2.28 2.09 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 32 F 7.73 5.05 0.00 2.87 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.82 4.73 0.00 1.91 1.65 0.00 3.33 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 34 R 8.62 4.88 0.00 2.08 1.80 0.00 2.85 0.00 0.00 2.96 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 35 G 8.49 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 V 7.77 4.82 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 1.03 0.00 0.00 0.89 0.00 0.00 37 C 8.83 4.69 0.00 3.01 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 38 T 9.08 4.25 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 39 V 7.61 4.48 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 0.94 0.00 0.00 0.94 0.00 0.00 40 V 8.31 4.59 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 0.90 0.00 0.00 0.88 0.00 0.00 41 R 8.20 4.71 0.00 1.97 1.75 0.00 3.21 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 42 T 8.38 4.77 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 43 V 8.64 4.41 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 0.69 0.00 0.00 0.99 0.00 0.00 44 T 8.13 4.87 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 1.23 0.00 0.00 45 P 0.00 4.62 0.00 1.96 2.29 0.00 3.67 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 2.04 2.09 0.00 46 K 8.10 4.58 0.00 1.94 0.87 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.35 7.81 47 K 8.91 3.68 0.00 1.74 1.61 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 48 P 0.00 4.55 0.00 2.21 2.14 0.00 3.80 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 1.93 1.96 0.00 49 N 7.81 4.72 0.00 2.73 2.80 0.00 0.00 6.69 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 50 S 7.59 4.47 0.00 3.78 3.69 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 51 A 7.80 4.40 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 52 L 8.26 4.95 0.00 1.50 1.58 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.87 4.21 0.00 1.94 2.17 0.00 3.23 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 54 K 8.83 4.38 0.00 1.66 1.71 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.45 7.81 55 V 8.44 5.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.15 0.00 0.00 56 A 8.72 5.01 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 57 K 8.68 4.70 0.00 1.70 1.76 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.41 7.81 58 V 9.27 4.68 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 1.04 0.00 0.00 0.99 0.00 0.00 59 R 9.24 4.67 0.00 1.91 1.89 0.00 3.19 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 60 L 8.53 4.87 0.00 1.60 1.59 0.88 0.92 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 61 T 8.54 4.08 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 1.26 0.00 0.00 62 S 8.06 4.57 0.00 4.32 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 0.00 63 G 8.15 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 64 Y 7.56 4.39 0.00 2.89 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 65 E 8.39 5.98 0.00 2.01 1.86 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 2.06 2.10 0.00 66 V 7.60 4.79 2.18 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 0.87 0.00 0.00 0.56 0.00 0.00 67 T 8.68 4.68 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 1.26 0.00 0.00 68 A 8.97 5.07 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 69 Y 8.97 4.64 0.00 2.99 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 70 I 6.46 4.40 1.69 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 1.15 0.80 0.85 0.00 0.00 71 P 0.00 4.16 0.00 1.69 1.61 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 72 G 8.71 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.62 4.50 0.00 1.96 1.88 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 2.25 2.31 0.00 74 G 8.89 4.08 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 0.00 0.00 0.00 75 H 8.24 4.97 0.00 3.13 3.25 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.47 5.01 0.00 2.80 2.86 0.00 0.00 5.72 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.51 4.63 0.00 1.39 1.52 0.87 0.93 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 78 Q 8.65 4.68 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 79 E 8.80 4.15 0.00 1.96 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 0.00 2.30 2.52 0.00 80 H 7.82 4.94 0.00 2.95 3.23 0.00 5.95 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.57 4.76 0.00 3.77 3.78 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 82 V 8.47 4.54 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 0.71 0.00 0.00 0.86 0.00 0.00 83 V 9.14 4.60 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 0.99 0.00 0.00 0.95 0.00 0.00 84 L 8.45 5.14 0.00 1.66 1.31 0.82 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 85 I 9.11 4.81 2.07 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 1.03 0.99 0.91 0.00 0.00 86 R 10.12 4.32 0.00 1.92 2.13 0.00 3.36 0.00 0.00 3.37 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.00 0.00 87 G 9.91 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 0.00 0.00 0.00 88 G 7.49 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 89 R 8.51 4.07 0.00 1.82 1.87 0.00 2.98 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 90 V 7.80 4.12 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 0.77 0.00 0.00 0.64 0.00 0.00 91 K 8.39 4.39 0.00 1.69 1.75 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 10.61 4.70 0.00 2.67 2.46 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 93 L 7.51 4.69 0.00 1.66 1.55 0.92 1.07 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 94 P 0.00 4.37 0.00 2.03 2.03 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 95 G 8.97 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 96 V 7.58 4.04 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 1.11 0.00 0.00 1.01 0.00 0.00 97 R 8.48 4.56 0.00 1.23 1.25 0.00 3.03 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.75 0.00 98 Y 7.87 5.04 0.00 2.91 2.80 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 99 H 9.08 5.45 0.00 3.20 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.36 4.62 1.84 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 1.13 0.61 0.89 0.00 0.00 101 V 8.57 3.73 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 0.53 0.00 0.00 0.98 0.00 0.00 102 R 8.53 3.92 0.00 1.75 1.96 0.00 3.58 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 103 G 8.66 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 0.00 0.00 0.00 104 V 7.20 4.11 1.71 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 -0.13 0.00 0.00 0.68 0.00 0.00 105 Y 8.38 3.59 0.00 3.38 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 0.00 106 D 8.44 4.35 0.00 3.01 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 0.00 107 A 8.49 4.59 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 0.00 108 A 8.52 4.68 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 0.00 109 G 8.61 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 0.00 0.00 0.00 110 V 7.97 3.99 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 0.78 0.00 0.00 1.20 0.00 0.00 111 K 8.70 4.09 0.00 1.89 1.67 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.47 7.81 112 D 8.77 4.95 0.00 2.87 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 0.00 113 R 7.23 4.43 0.00 1.57 1.77 0.00 2.99 0.00 0.00 2.92 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.46 0.00 114 K 8.19 4.65 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.41 7.81 115 K 7.62 4.53 0.00 1.64 1.28 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.32 7.81 116 S 8.69 4.20 0.00 4.00 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 0.00 117 R 8.34 5.06 0.00 1.78 2.11 0.00 3.28 0.00 0.00 3.90 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 118 S 8.11 4.16 0.00 3.87 3.88 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 0.00 119 K 7.80 4.17 0.00 2.38 1.77 0.00 1.94 0.00 0.00 1.95 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.59 7.81 120 Y 8.56 3.63 0.00 3.24 3.19 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 0.00 121 G 8.02 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 0.00 122 T 7.57 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 1.27 0.00 0.00 123 K 8.30 4.19 0.00 1.74 1.74 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.43 4.04 0.00 1.69 1.71 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 125 P 0.00 4.70 0.00 2.20 2.05 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 126 K 8.12 4.58 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.57 7.81 127 E 8.85 4.00 0.00 1.99 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 2.29 2.24 0.00 128 A 7.69 3.37 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 *129 A 8.02 4.12 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 * Residues marked with a * may have inaccurate shift predictions.