NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3476 0.0000 0.0000 62.5079 32.3765 174.2192 2 N 5.1384 8.5685 116.2180 51.9972 40.8427 174.6535 3 F 4.6570 11.3201 125.6536 58.6291 40.4255 175.6562 4 S 4.5824 8.8970 118.2382 58.2223 63.3182 174.2704 5 G 3.7058 8.2313 112.9840 46.3061 0.0000 171.1317 6 N 5.1148 7.6164 117.9078 51.6186 40.1071 174.0750 7 W 5.3921 9.4334 125.4183 54.6903 31.7775 175.4867 8 K 5.1241 9.4211 124.0450 54.8999 34.7984 175.3868 9 I 3.9530 7.9645 122.9561 61.0572 37.9897 175.3824 10 I 4.5660 8.7996 120.8698 60.8026 39.6350 175.6446 11 R 4.7265 7.5070 120.3492 54.7977 34.8131 174.0225 12 S 4.9022 8.3333 115.7744 57.1262 65.7257 172.9880 13 E 4.5598 9.0417 126.0253 55.5441 33.7435 175.7390 14 N 4.2739 9.1764 120.6093 54.4638 37.7970 175.3871 15 F 4.4925 8.2191 120.3094 61.5815 39.4517 176.8741 16 E 3.7858 8.2212 117.7510 59.3316 29.3935 179.0326 17 E 3.9779 8.1081 118.3301 59.0193 29.4312 178.8946 18 L 3.9389 7.9128 120.5200 58.1925 42.2111 179.0061 19 L 3.8168 7.7692 118.9759 57.7556 41.5295 179.7428 20 K 3.9495 7.9503 118.4074 59.3574 31.7114 179.5811 21 V 3.6159 7.4678 117.3705 65.6590 31.5151 177.4450 22 L 4.2818 7.4512 116.9352 55.2426 41.7538 177.8360 23 G 3.8956 7.6982 107.0134 45.0663 0.0000 173.7387 24 V 3.8411 7.3698 119.0784 61.9659 32.1437 175.9767 25 N 4.2865 8.5715 124.7427 55.6303 37.8973 173.1990 *39 P 4.5165 0.0000 0.0000 62.4721 33.0939 175.5267 40 A 5.2616 9.0499 122.9506 50.2792 22.8915 175.1977 41 V 4.6724 8.6377 118.9334 61.0145 35.1881 173.8045 42 E 5.2524 9.4897 128.9372 54.5252 32.0967 174.4319 43 I 5.1927 9.1521 127.5266 59.4786 41.1040 174.6166 44 K 4.8613 9.4009 125.4595 54.6952 35.1463 174.7950 45 Q 4.4518 9.0426 127.0157 53.9400 31.5629 174.6040 46 E 4.3684 8.6495 126.7553 54.8479 32.3144 175.4463 47 G 3.7162 8.1937 118.1995 47.4469 0.0000 173.0711 48 D 5.0805 8.7870 125.0025 54.5117 41.1230 174.9312 49 T 4.9419 7.8147 117.7194 61.9951 70.6383 173.7833 50 F 5.0070 8.9446 124.2738 55.5690 43.2185 173.2009 51 Y 5.0671 8.9739 123.4559 55.8674 41.5834 174.2347 52 I 4.7068 8.3368 126.9819 59.2305 41.0524 174.0933 53 K 4.7128 8.8782 128.9387 54.7602 34.6655 174.6391 54 T 5.0692 8.6545 124.0997 61.9749 71.3156 173.5909 55 S 5.2584 9.1531 121.1938 57.3060 66.9024 173.6754 56 T 4.6638 8.5341 112.9421 60.0287 71.2807 174.3245 57 T 4.1160 8.5909 114.3400 64.7315 67.3944 175.5676 58 V 4.4468 7.2132 111.6962 60.8714 33.4443 175.4924 59 R 4.7673 7.8979 118.0973 54.9122 34.1933 173.9115 60 T 5.1078 8.1366 113.5659 61.0431 70.7047 172.8574 61 T 4.8474 8.5682 115.8088 60.5121 72.6565 172.2783 62 E 5.1102 8.7168 121.5250 54.6060 33.2624 174.9908 63 I 4.8455 8.7351 116.7347 59.2177 41.4840 174.0147 64 N 5.5141 8.6531 119.9560 51.6697 41.9586 173.6216 65 F 4.7549 8.6367 117.4172 55.6014 41.9605 172.7851 66 K 5.1510 8.5341 120.1739 54.2123 35.3252 175.4913 67 V 3.8319 8.6517 127.0137 64.5504 31.7878 176.4546 68 G 3.9969 9.1846 115.5380 45.2021 0.0000 172.7179 69 E 4.6946 7.8807 118.9790 53.8217 32.0461 175.5625 70 E 4.5063 8.8079 125.0834 56.5984 30.6629 175.4230 71 F 5.1627 8.8854 119.8743 55.6257 42.3151 172.5804 72 E 5.0558 8.9174 118.3983 54.8658 31.2474 175.9295 73 E 4.5642 8.7507 122.5405 55.8176 33.5313 174.0517 74 Q 4.9471 8.6489 116.1611 54.2878 33.0821 174.6837 75 T 4.5347 8.6515 111.5711 60.7876 69.8351 176.0541 76 V 3.6163 8.3143 120.9589 64.3804 31.3753 176.5848 77 D 4.5688 8.0840 117.7170 53.1483 39.4991 176.8639 78 G 4.1407 8.3775 108.1587 45.4329 0.0000 173.6563 79 R 4.3844 8.0567 119.6671 54.3697 31.7244 174.4656 80 P 4.9083 0.0000 0.0000 63.4135 32.6979 174.9854 81 C 5.1713 9.0368 117.2669 56.7212 33.8484 172.5060 82 K 4.8000 8.9016 119.7572 55.6684 34.2439 175.7051 83 S 4.9445 8.5799 119.3070 56.5413 67.2491 172.8922 84 L 4.6899 8.1133 123.2282 53.8069 45.4737 174.7151 85 V 4.4713 8.3392 126.2710 61.0617 33.5955 174.4353 86 K 4.7900 8.4613 125.8975 54.5434 36.2919 175.3755 87 W 4.7954 8.6116 121.6083 56.6751 29.7622 176.1557 88 E 4.3408 9.2333 124.5837 57.9062 29.8503 175.3077 89 S 4.6529 7.7051 111.4892 57.1339 65.4891 174.5123 90 E 3.7683 8.7799 117.8313 58.3008 29.5297 177.1920 91 N 5.1442 8.1329 116.1547 52.0601 37.9215 173.3119 92 K 5.5360 8.6920 120.7811 55.7098 35.8752 174.7300 93 M 5.0406 9.3486 125.1012 53.4268 34.3856 174.8231 94 V 4.5493 8.2716 119.9171 61.1114 35.3082 173.5628 95 C 4.6771 8.3183 127.9894 57.1218 33.9217 172.0742 96 E 4.7476 8.4033 124.4299 54.8780 31.4596 174.9448 97 Q 5.0278 8.1274 120.3588 54.0285 32.3394 175.1251 98 K 4.5835 8.7736 121.3384 54.2208 35.9863 175.9715 99 L 4.3980 8.6200 124.8606 55.1457 41.7171 177.5670 100 L 4.1835 8.5429 123.0519 56.7281 42.0497 177.9238 101 K 4.4710 7.6106 115.8000 55.5824 35.7243 176.9669 102 G 3.8125 8.9118 109.9658 44.6967 0.0000 171.6978 103 E 4.6844 8.5709 116.6070 53.8828 32.7679 175.2851 104 G 3.9353 7.8361 108.3916 44.8974 0.0000 170.6211 105 P 4.6008 0.0000 0.0000 62.0659 32.2835 176.7752 106 K 4.2380 9.1194 125.0227 56.7075 32.7037 175.8640 107 T 5.7407 8.6381 116.9044 59.5232 72.3582 172.7579 108 S 4.6472 8.3185 116.3058 57.7378 66.7470 172.5058 109 W 5.8493 8.4250 116.3076 55.5169 31.7581 173.7902 110 T 5.1894 9.4196 110.5876 60.1264 72.2338 172.6266 111 L 5.6128 8.9536 122.1521 53.1868 45.8944 175.4468 112 E 5.5875 9.4555 120.1067 54.8855 33.6265 173.9092 113 L 5.1422 8.5164 121.5422 53.1968 43.9464 176.9243 114 T 4.3383 8.8817 114.6952 60.4432 70.1060 175.3930 115 N 4.3666 8.6005 120.0943 56.2617 39.0965 175.0430 116 D 4.7044 8.1763 116.3667 54.1204 40.8996 176.6913 117 G 4.0091 8.2141 106.5392 45.9714 0.0000 173.5750 118 E 4.8827 8.2198 118.9406 54.9846 31.6810 174.9007 119 L 4.7958 8.7777 125.4696 53.3516 44.3799 174.9175 120 I 4.9047 8.8185 127.6187 59.5590 39.7697 174.1191 121 L 5.2706 9.1260 130.4818 53.5978 44.0551 175.1493 122 T 5.2667 8.7933 115.8406 60.2356 72.1688 172.7881 123 M 5.4268 9.2497 122.7154 54.0652 36.2672 174.5970 124 T 5.2298 9.0605 118.1816 61.8260 73.1535 173.1460 125 A 4.7596 8.9082 126.1373 50.2561 22.3038 176.8974 126 D 4.0818 9.1434 124.7682 56.3952 41.1168 175.3690 127 D 4.6343 8.8757 127.4355 55.2645 41.1836 175.7533 128 V 4.1529 7.8985 121.1462 61.4919 32.6117 174.5206 129 V 4.9013 8.2321 125.9634 61.2229 34.2490 173.8205 130 C 5.1480 9.4174 127.6823 57.9319 34.5924 172.4102 131 T 5.2034 8.6852 121.2517 61.7448 71.6050 173.1439 132 K 4.9349 9.2961 124.9287 54.4839 36.3421 175.3132 133 V 4.9366 8.4017 122.7042 61.4228 34.8405 173.9336 134 Y 5.3824 9.2794 123.5632 56.4934 42.6636 174.5573 135 V 5.3271 8.9413 113.3618 59.5317 36.3275 175.4475 136 R 4.1401 8.5108 121.2403 55.9061 30.8063 176.8780 137 E 4.1818 8.8662 120.1734 56.5101 29.7150 175.5321 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 1 P 0.00 4.35 0.00 2.12 2.11 0.00 3.69 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 1.62 1.87 0.00 2 N 8.57 5.14 0.00 2.80 2.77 0.00 0.00 6.86 6.14 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 3 F 11.32 4.66 0.00 3.50 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 4 S 8.90 4.58 0.00 3.83 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 5 G 8.23 3.71 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 0.00 0.00 0.00 6 N 7.62 5.11 0.00 2.72 2.74 0.00 0.00 6.69 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 7 W 9.43 5.39 0.00 3.23 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 8 K 9.42 5.12 0.00 1.83 2.09 0.00 1.35 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.45 7.81 9 I 7.96 3.95 1.86 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.09 0.88 0.00 0.00 10 I 8.80 4.57 1.86 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 1.29 0.85 0.94 0.00 0.00 11 R 7.51 4.73 0.00 1.61 1.73 0.00 3.24 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 12 S 8.33 4.90 0.00 3.66 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.04 4.56 0.00 1.86 1.77 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 2.20 2.38 0.00 14 N 9.18 4.27 0.00 3.02 3.09 0.00 0.00 6.85 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 15 F 8.22 4.49 0.00 3.04 3.07 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 16 E 8.22 3.79 0.00 2.01 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 2.43 2.34 0.00 17 E 8.11 3.98 0.00 2.19 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 2.40 2.41 0.00 18 L 7.91 3.94 0.00 1.83 1.84 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.77 3.82 0.00 1.61 1.48 0.32 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.95 3.95 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.55 7.81 21 V 7.47 3.62 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 0.88 0.00 0.00 1.00 0.00 0.00 22 L 7.45 4.28 0.00 1.69 1.67 0.91 1.14 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 23 G 7.70 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 24 V 7.37 3.84 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 0.69 0.00 0.00 0.88 0.00 0.00 25 N 8.57 4.29 0.00 2.70 2.81 0.00 0.00 7.03 7.69 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 *39 P 0.00 4.52 0.00 2.21 2.20 0.00 3.66 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 1.95 1.91 0.00 40 A 9.05 5.26 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 41 V 8.64 4.67 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 0.57 0.00 0.00 0.53 0.00 0.00 42 E 9.49 5.25 0.00 2.07 1.82 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 2.35 2.55 0.00 43 I 9.15 5.19 2.44 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 1.29 0.71 1.23 0.00 0.00 44 K 9.40 4.86 0.00 1.79 1.70 0.00 1.47 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.55 7.81 45 Q 9.04 4.45 0.00 1.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 1.97 1.16 0.00 46 E 8.65 4.37 0.00 1.87 1.67 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 2.15 2.18 0.00 47 G 8.19 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 48 D 8.79 5.08 0.00 2.87 2.90 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 49 T 7.81 4.94 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 1.14 0.00 0.00 50 F 8.94 5.01 0.00 1.51 2.25 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 51 Y 8.97 5.07 0.00 2.97 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 52 I 8.34 4.71 1.73 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 1.12 0.65 0.69 0.00 0.00 53 K 8.88 4.71 0.00 1.51 1.56 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.51 7.81 54 T 8.65 5.07 4.15 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 1.14 0.00 0.00 55 S 9.15 5.26 0.00 3.72 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 56 T 8.53 4.66 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 57 T 8.59 4.12 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 1.23 0.00 0.00 58 V 7.21 4.45 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 0.79 0.00 0.00 0.95 0.00 0.00 59 R 7.90 4.77 0.00 1.82 1.76 0.00 3.12 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 60 T 8.14 5.11 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 1.23 0.00 0.00 61 T 8.57 4.85 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 1.22 0.00 0.00 62 E 8.72 5.11 0.00 1.89 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 2.27 2.33 0.00 63 I 8.74 4.85 2.07 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.95 1.05 0.00 0.00 64 N 8.65 5.51 0.00 2.63 2.74 0.00 0.00 6.75 7.45 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 65 F 8.64 4.75 0.00 2.29 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 66 K 8.53 5.15 0.00 1.87 1.86 0.00 1.77 0.00 0.00 2.02 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.53 7.81 67 V 8.65 3.83 2.19 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 0.55 0.00 0.00 0.66 0.00 0.00 68 G 9.18 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 69 E 7.88 4.69 0.00 2.05 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 2.28 2.27 0.00 70 E 8.81 4.51 0.00 1.96 1.87 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 2.24 2.35 0.00 71 F 8.89 5.16 0.00 3.16 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 72 E 8.92 5.06 0.00 1.91 1.90 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 2.19 2.29 0.00 73 E 8.75 4.56 0.00 2.11 2.19 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 1.97 2.27 0.00 74 Q 8.65 4.95 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 75 T 8.65 4.53 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 1.27 0.00 0.00 76 V 8.31 3.62 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.11 0.00 0.00 77 D 8.08 4.57 0.00 2.79 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 78 G 8.38 4.14 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 0.00 79 R 8.06 4.38 0.00 1.79 1.85 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 80 P 0.00 4.91 0.00 2.06 1.97 0.00 3.56 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 2.11 2.10 0.00 81 C 9.04 5.17 0.00 2.94 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 82 K 8.90 4.80 0.00 1.69 1.88 0.00 1.32 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.29 7.81 83 S 8.58 4.94 0.00 2.72 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 84 L 8.11 4.69 0.00 1.59 1.27 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.34 4.47 1.65 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 0.39 0.00 0.00 -0.10 0.00 0.00 86 K 8.46 4.79 0.00 1.75 1.74 0.00 1.29 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.26 7.81 87 W 8.61 4.80 0.00 3.35 3.29 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 88 E 9.23 4.34 0.00 1.94 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 2.33 2.27 0.00 89 S 7.71 4.65 0.00 4.05 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 90 E 8.78 3.77 0.00 1.93 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 2.24 2.27 0.00 91 N 8.13 5.14 0.00 2.98 3.05 0.00 0.00 6.18 6.67 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 92 K 8.69 5.54 0.00 1.93 1.80 0.00 1.87 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.63 7.81 93 M 9.35 5.04 0.00 1.17 1.41 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 94 V 8.27 4.55 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 0.83 0.00 0.00 0.87 0.00 0.00 95 C 8.32 4.68 0.00 1.23 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 96 E 8.40 4.75 0.00 1.94 1.87 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 2.17 2.08 0.00 97 Q 8.13 5.03 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.62 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 98 K 8.77 4.58 0.00 1.55 1.59 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.31 7.81 99 L 8.62 4.40 0.00 1.50 1.73 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.54 4.18 0.00 1.64 1.70 0.91 0.72 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 0.00 101 K 7.61 4.47 0.00 1.67 1.64 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.39 7.81 102 G 8.91 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 0.00 103 E 8.57 4.68 0.00 1.91 1.82 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 2.18 2.19 0.00 104 G 7.84 3.94 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 0.00 0.00 0.00 105 P 0.00 4.60 0.00 1.94 2.15 0.00 3.67 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 2.01 2.07 0.00 106 K 9.12 4.24 0.00 1.82 1.66 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.35 7.81 107 T 8.64 5.74 4.32 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 1.29 0.00 0.00 108 S 8.32 4.65 0.00 3.86 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 0.00 109 W 8.42 5.85 0.00 3.43 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 0.00 110 T 9.42 5.19 4.36 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 1.19 0.00 0.00 111 L 8.95 5.61 0.00 1.59 1.69 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 112 E 9.46 5.59 0.00 2.22 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 0.00 2.42 2.34 0.00 113 L 8.52 5.14 0.00 1.05 1.38 0.29 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.88 4.34 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 1.28 0.00 0.00 115 N 8.60 4.37 0.00 2.69 2.90 0.00 0.00 6.96 8.47 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 0.00 116 D 8.18 4.70 0.00 2.89 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 0.00 117 G 8.21 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 0.00 118 E 8.22 4.88 0.00 2.05 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 2.34 2.39 0.00 119 L 8.78 4.80 0.00 0.27 0.82 0.74 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.82 4.90 1.92 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 1.14 0.63 0.95 0.00 0.00 121 L 9.13 5.27 0.00 1.75 1.79 0.87 0.33 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 0.00 122 T 8.79 5.27 4.29 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 1.25 0.00 0.00 123 M 9.25 5.43 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 124 T 9.06 5.23 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 1.24 0.00 0.00 125 A 8.91 4.76 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 0.00 126 D 9.14 4.08 0.00 2.73 1.74 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 0.00 127 D 8.88 4.63 0.00 2.66 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 0.00 128 V 7.90 4.15 2.20 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 1.03 0.00 0.00 0.93 0.00 0.00 129 V 8.23 4.90 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 0.87 0.00 0.00 0.95 0.00 0.00 130 C 9.42 5.15 0.00 3.10 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 0.00 131 T 8.69 5.20 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 1.21 0.00 0.00 132 K 9.30 4.93 0.00 1.60 1.27 0.00 1.43 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.14 1.22 7.81 133 V 8.40 4.94 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 1.00 0.00 0.00 0.90 0.00 0.00 134 Y 9.28 5.38 0.00 2.89 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.94 5.33 2.19 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 0.83 0.00 0.00 1.02 0.00 0.00 136 R 8.51 4.14 0.00 1.38 1.45 0.00 2.78 0.00 0.00 2.79 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 137 E 8.87 4.18 0.00 1.95 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 2.35 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.