NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1757 7.9127 114.0092 61.2603 33.8904 173.7416 3 R 4.8231 8.5042 122.4717 54.2425 32.5380 169.7596 4 V 4.4946 8.6374 117.9055 60.4419 36.9760 175.9629 5 G 3.8356 8.3091 107.5532 44.6632 0.0000 172.5221 *7 R 3.8350 8.2252 117.8567 57.2702 30.9017 176.2034 8 A 2.0000 8.0837 125.6214 52.2966 17.0317 177.8295 9 A 4.4835 6.5890 121.6733 50.0780 19.0226 175.8858 10 P 4.2462 0.0000 0.0000 64.9728 31.7683 179.1124 11 R 3.9596 7.8857 117.6827 58.8650 30.0619 179.0888 12 V 3.6293 7.6988 117.5537 66.0690 31.4772 178.1228 13 S 4.1157 8.1131 115.0945 61.3002 62.5801 176.3203 14 L 4.1161 8.3660 123.2425 58.2263 41.8708 178.6743 15 E 3.9332 8.2973 119.0468 59.2580 29.5837 178.6776 16 A 4.0205 8.3366 121.0754 54.8765 18.3363 179.3687 17 L 3.9341 8.3180 119.1756 58.3388 42.1843 179.3189 18 K 3.9384 8.2979 118.2723 59.4506 31.7447 179.1736 19 A 3.9714 7.9821 119.8061 55.1473 18.3883 179.2854 20 A 4.0916 7.8673 118.3178 55.0311 18.7719 179.3887 21 L 4.0290 8.5073 119.5165 57.4689 42.4549 177.4586 22 G 3.7019 8.4652 107.7741 47.2469 0.0000 174.1880 23 G 3.9705 8.6280 114.0858 44.8250 0.0000 172.8270 24 L 3.9492 7.5584 121.9102 55.1046 42.4309 176.9330 25 K 4.5306 8.4310 124.9126 56.0385 33.2469 176.5802 26 L 4.8045 8.8594 122.5539 54.3373 42.5966 179.0169 27 S 4.5540 8.3343 115.6607 60.4580 62.7500 174.7355 28 E 4.4138 7.9721 116.8532 55.7753 29.6738 175.6209 29 A 4.4813 7.6283 121.2992 51.7181 19.6575 177.4638 30 K 4.6005 9.2212 118.9522 54.5458 35.4650 175.5025 31 V 4.2947 8.3724 125.7055 61.4063 33.4135 173.8577 32 Y 5.2072 9.0043 126.7945 56.4251 40.1143 174.7642 33 L 5.0226 9.2363 125.8967 53.6489 43.7732 175.7144 34 I 4.9305 9.0016 125.7444 60.0753 39.1209 174.8450 35 T 5.3432 9.3924 121.5508 58.9990 71.2524 172.2075 36 D 5.2986 8.3166 123.7887 51.9080 41.6016 176.2101 37 W 4.7564 8.6896 131.0905 57.0711 30.5864 175.3243 38 Q 4.5893 8.5744 125.1563 53.4011 31.9133 175.5468 39 D 4.5175 8.6991 118.4955 56.7877 41.6257 176.5980 40 K 4.7530 8.2699 116.7183 54.1722 36.2203 177.3377 41 R 4.0794 8.5835 121.4905 58.8962 30.2028 177.6291 42 D 4.7074 8.1052 115.1278 54.8173 39.5500 176.2336 43 Q 4.6239 7.9053 117.3224 55.5747 30.3637 175.9101 44 A 4.3678 7.9935 122.3896 51.8096 19.7765 176.8974 45 R 5.0295 8.7349 116.5675 54.6994 33.2502 174.3232 46 Y 5.4051 9.4492 116.8147 56.6538 42.7039 174.4008 47 A 5.7354 9.3960 124.6541 49.5501 22.9512 175.0419 48 L 5.1911 8.9901 120.3839 53.3141 45.5644 174.8616 49 L 5.1252 9.3109 128.7916 53.4006 44.6455 174.6617 50 L 4.7582 9.1697 130.4057 53.9467 43.9414 174.7488 51 H 5.8694 9.4444 128.4607 54.2472 30.1881 175.1130 52 T 4.1961 8.5364 117.4371 62.5491 69.1959 176.2218 53 G 3.9724 8.3935 109.0999 45.1719 0.0000 173.9119 54 K 4.5653 8.0674 115.8883 54.6014 34.3165 176.2425 55 K 4.4731 6.8312 120.9637 56.7172 34.0350 172.9845 56 D 5.6257 7.8063 119.7780 52.7322 44.9086 174.6314 57 L 5.1496 8.7707 121.6192 53.5102 46.1120 174.5231 58 L 5.3255 9.1424 127.6134 53.2452 45.3264 174.9849 59 V 5.3558 9.0875 125.4212 59.4894 34.9484 174.1321 60 P 4.9927 0.0000 0.0000 62.5118 33.5379 175.1855 61 D 4.9464 8.7837 117.7185 53.3996 37.6902 176.0399 62 A 4.2062 8.2283 125.8083 51.7289 21.4562 174.8749 63 F 5.1221 8.6954 113.9351 55.6663 43.3889 175.0498 64 G 4.5677 9.2455 106.2825 44.2731 0.0000 173.0537 65 P 4.4156 0.0000 0.0000 64.4241 31.2920 177.5545 66 A 3.8915 7.6803 122.0086 53.9715 18.5229 177.4822 67 F 5.1713 7.7427 114.2529 54.7019 42.1497 173.0455 68 P 4.5108 0.0000 0.0000 63.9622 31.7591 177.3415 69 G 4.0592 9.1561 110.5489 46.1274 0.0000 175.5676 70 G 3.8606 8.4940 107.7295 47.7316 0.0000 175.7184 71 E 4.0392 8.2446 121.2694 58.9775 29.7208 178.3083 72 E 3.9338 8.2459 118.7108 59.3349 29.7513 178.5196 73 A 4.0192 8.2204 120.8136 54.9989 18.3639 179.3621 74 L 3.5046 8.2020 118.9857 58.1101 41.9609 179.1328 75 S 4.2288 7.9907 114.3446 60.9995 62.3268 176.0188 76 E 4.0243 8.3225 121.3752 59.1386 29.1584 179.1248 77 L 3.7883 8.0789 120.7754 58.2108 42.1048 179.3003 78 V 3.7492 7.9888 118.6029 65.7826 31.3242 178.1731 79 G 3.5719 8.2435 105.7383 47.6248 0.0000 175.4208 80 L 3.9652 8.0817 122.9110 57.9236 42.1530 179.0956 81 L 4.0432 8.0858 118.9244 57.7430 41.5501 179.5433 82 L 4.2758 8.3387 118.8717 57.8625 41.3744 179.3166 83 A 4.0653 8.1793 119.9233 54.9483 18.5646 178.1591 84 Q 4.2249 7.9887 114.5825 56.1059 29.0196 177.3663 85 G 4.0099 8.3044 107.5244 44.8148 0.0000 173.9352 86 A 4.3912 7.7455 123.3410 52.5194 18.6474 177.6728 87 R 4.7265 8.3819 118.3963 55.2924 32.6062 175.1945 88 R 4.4517 7.6809 117.8290 54.5355 32.1251 174.7534 89 F 5.1352 8.4856 122.6437 55.8114 42.4078 174.4043 90 Y 5.3090 9.2163 118.8989 56.3908 42.9516 173.6759 91 E 5.4452 9.6665 122.1426 54.5169 33.1404 174.1811 92 A 5.1235 9.3103 128.5527 50.1607 21.8884 174.9825 93 V 4.8058 8.4697 122.2934 61.4049 33.2429 175.3017 94 V 4.8106 8.8600 120.7583 59.0345 36.2502 175.5253 95 S 4.6916 8.6487 116.9453 57.7473 63.6959 173.5119 96 P 4.2247 0.0000 0.0000 65.8918 31.1255 178.0489 97 G 3.7699 8.0467 104.2438 47.0147 0.0000 173.5912 98 E 4.5136 7.7715 120.6731 54.8778 29.3121 176.2278 *100 T 4.2305 7.7353 118.0833 63.4067 71.1146 176.6466 101 A 4.0045 8.0915 121.6302 54.8856 18.6685 178.8881 102 L 4.0458 8.0734 118.8592 58.5031 42.0408 179.3779 103 L 4.1394 7.9059 116.3460 57.0759 41.6548 177.9810 104 D 4.6975 7.4783 116.3969 53.3622 41.3655 176.7021 105 L 4.2065 7.0888 120.1254 53.5942 42.4458 175.8374 106 P 4.3422 0.0000 0.0000 62.1408 33.1218 175.5672 107 P 4.2214 0.0000 0.0000 66.2647 31.3624 178.8279 108 E 3.9395 8.1342 116.3888 59.2986 29.4023 178.9956 109 E 3.8928 8.0545 119.0069 58.9287 29.7368 178.3501 110 L 3.8789 8.1747 120.7779 58.0897 41.9780 178.6249 111 L 3.7401 7.6985 118.8155 57.9425 42.0563 178.5124 112 K 3.9545 7.6181 118.1974 59.4683 32.4841 178.4671 113 R 4.0227 7.9190 118.8718 59.2401 30.0082 179.7105 114 V 3.4098 7.7627 116.0229 63.2781 31.1272 177.3461 *116 A 4.2150 7.9818 121.7328 51.1141 20.1194 178.4638 117 I 4.1676 7.5073 106.0564 60.9824 38.5761 175.8633 118 A 4.6805 7.8094 123.8082 52.0979 19.1716 176.5998 119 N 5.2308 8.9967 118.0242 50.5474 41.8696 172.7439 120 P 4.5136 0.0000 0.0000 63.5881 31.9901 175.8055 121 T 4.7055 8.5593 119.1703 61.7332 73.1388 173.2927 122 D 4.4543 8.4519 123.8626 52.6533 41.6129 175.4438 123 P 4.2042 0.0000 0.0000 65.6213 30.9151 178.4315 124 G 3.5400 8.3428 105.9047 47.2922 0.0000 175.5274 125 I 3.6345 7.3034 114.3688 63.3721 37.8976 176.9675 126 Y 4.4433 7.3968 117.1820 58.3128 37.8709 175.5478 127 L 4.4931 7.3888 124.5050 54.0825 41.8838 176.3420 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 V 7.91 4.18 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 3 R 8.50 4.82 0.00 1.80 1.77 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 4 V 8.64 4.49 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 0.83 0.00 0.00 0.97 0.00 0.00 5 G 8.31 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 *7 R 8.23 3.83 0.00 1.82 1.76 0.00 3.59 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.94 0.00 8 A 8.08 2.00 0.97 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 9 A 6.59 4.48 1.07 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 10 P 0.00 4.25 0.00 2.42 2.62 0.00 3.79 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 11 R 7.89 3.96 0.00 1.89 2.04 0.00 3.15 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 12 V 7.70 3.63 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 1.12 0.00 0.00 0.91 0.00 0.00 13 S 8.11 4.12 0.00 3.68 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 14 L 8.37 4.12 0.00 2.08 1.94 0.87 0.78 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 15 E 8.30 3.93 0.00 2.13 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 2.32 2.34 0.00 16 A 8.34 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 3.93 0.00 1.97 1.94 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.30 3.94 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.64 7.81 19 A 7.98 3.97 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 20 A 7.87 4.09 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 21 L 8.51 4.03 0.00 1.83 1.72 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.47 3.70 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 0.00 0.00 0.00 23 G 8.63 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 24 L 7.56 3.95 0.00 1.70 1.66 0.91 0.62 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 25 K 8.43 4.53 0.00 1.78 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.39 7.81 26 L 8.86 4.80 0.00 1.65 1.54 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.33 4.55 0.00 3.97 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 28 E 7.97 4.41 0.00 1.96 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 2.23 2.22 0.00 29 A 7.63 4.48 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 30 K 9.22 4.60 0.00 1.70 1.33 0.00 1.68 0.00 0.00 1.37 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.42 7.81 31 V 8.37 4.29 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 0.95 0.00 0.00 0.35 0.00 0.00 32 Y 9.00 5.21 0.00 3.15 2.93 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 0.00 0.00 0.00 33 L 9.24 5.02 0.00 1.68 1.74 -0.36 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 I 9.00 4.93 1.99 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 1.21 0.81 0.97 0.00 0.00 35 T 9.39 5.34 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 1.32 0.00 0.00 36 D 8.32 5.30 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 37 W 8.69 4.76 0.00 3.30 3.12 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 0.00 0.00 0.00 0.00 38 Q 8.57 4.59 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 39 D 8.70 4.52 0.00 2.54 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 40 K 8.27 4.75 0.00 1.95 1.64 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.50 7.81 41 R 8.58 4.08 0.00 1.90 2.01 0.00 3.24 0.00 0.00 3.55 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 42 D 8.11 4.71 0.00 2.85 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 43 Q 7.91 4.62 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.91 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 44 A 7.99 4.37 1.09 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 45 R 8.73 5.03 0.00 1.87 1.61 0.00 2.77 0.00 0.00 3.45 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 46 Y 9.45 5.41 0.00 3.10 2.95 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 47 A 9.40 5.74 1.34 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 48 L 8.99 5.19 0.00 1.88 1.69 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.31 5.13 0.00 1.82 1.64 1.01 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 L 9.17 4.76 0.00 1.79 1.56 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.44 5.87 0.00 3.44 3.55 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.54 4.20 4.21 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 1.19 0.00 0.00 53 G 8.39 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 54 K 8.07 4.57 0.00 1.70 1.77 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.31 7.81 55 K 6.83 4.47 0.00 1.95 1.91 0.00 1.44 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.21 7.81 56 D 7.81 5.63 0.00 2.61 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 57 L 8.77 5.15 0.00 1.70 1.46 0.95 0.37 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 58 L 9.14 5.33 0.00 1.77 1.47 1.02 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.09 5.36 2.31 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 1.32 0.00 0.00 1.08 0.00 0.00 60 P 0.00 4.99 0.00 2.10 2.19 0.00 3.86 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 61 D 8.78 4.95 0.00 2.92 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 62 A 8.23 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.70 5.12 0.00 3.19 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 64 G 9.25 4.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.42 0.00 2.43 2.26 0.00 4.19 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 2.19 2.14 0.00 66 A 7.68 3.89 0.64 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 0.00 0.00 67 F 7.74 5.17 0.00 3.16 2.86 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 68 P 0.00 4.51 0.00 2.10 2.05 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 69 G 9.16 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 70 G 8.49 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 71 E 8.24 4.04 0.00 2.13 2.02 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 2.42 2.43 0.00 72 E 8.25 3.93 0.00 2.11 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 0.00 2.51 2.40 0.00 73 A 8.22 4.02 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 0.00 0.00 0.00 0.00 0.00 74 L 8.20 3.50 0.00 1.84 1.88 0.34 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.99 4.23 0.00 4.02 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 76 E 8.32 4.02 0.00 2.16 1.96 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 2.32 2.53 0.00 77 L 8.08 3.79 0.00 1.33 1.49 0.78 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.99 3.75 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 0.86 0.00 0.00 0.78 0.00 0.00 79 G 8.24 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.08 3.97 0.00 1.75 1.84 1.00 0.51 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 81 L 8.09 4.04 0.00 2.05 1.74 0.93 0.48 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 82 L 8.34 4.28 0.00 1.87 1.75 0.82 0.69 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 83 A 8.18 4.07 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 84 Q 7.99 4.22 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.35 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 85 G 8.30 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 86 A 7.75 4.39 1.11 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 87 R 8.38 4.73 0.00 1.77 1.95 0.00 3.38 0.00 0.00 3.32 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 88 R 7.68 4.45 0.00 1.87 1.79 0.00 3.11 0.00 0.00 3.45 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 89 F 8.49 5.14 0.00 3.06 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 90 Y 9.22 5.31 0.00 2.82 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 91 E 9.67 5.45 0.00 2.27 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 2.38 2.67 0.00 92 A 9.31 5.12 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 93 V 8.47 4.81 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 0.86 0.00 0.00 0.96 0.00 0.00 94 V 8.86 4.81 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 0.74 0.00 0.00 1.03 0.00 0.00 95 S 8.65 4.69 0.00 4.08 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 96 P 0.00 4.22 0.00 2.03 2.13 0.00 3.67 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 1.94 2.12 0.00 97 G 8.05 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 E 7.77 4.51 0.00 2.04 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 *100 T 7.74 4.23 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 1.26 0.00 0.00 101 A 8.09 4.00 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 0.00 102 L 8.07 4.05 0.00 1.84 1.69 0.91 0.54 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 0.00 103 L 7.91 4.14 0.00 1.78 1.74 0.95 1.05 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 0.00 104 D 7.48 4.70 0.00 2.67 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 0.00 105 L 7.09 4.21 0.00 1.70 1.59 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.34 0.00 2.14 1.97 0.00 3.62 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 2.11 2.18 0.00 107 P 0.00 4.22 0.00 2.14 2.13 0.00 3.59 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 2.12 2.21 0.00 108 E 8.13 3.94 0.00 1.96 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 2.39 2.30 0.00 109 E 8.05 3.89 0.00 2.06 2.07 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 2.36 2.40 0.00 110 L 8.17 3.88 0.00 1.75 1.78 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.70 3.74 0.00 1.73 1.61 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.62 3.95 0.00 1.86 1.92 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 113 R 7.92 4.02 0.00 1.89 1.85 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 114 V 7.76 3.41 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 0.64 0.00 0.00 0.93 0.00 0.00 *116 A 7.98 4.21 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 0.00 117 I 7.51 4.17 1.88 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 1.44 0.72 0.90 0.00 0.00 118 A 7.81 4.68 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.00 5.23 0.00 2.72 2.77 0.00 0.00 6.98 7.62 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 0.00 120 P 0.00 4.51 0.00 1.90 1.82 0.00 3.69 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 2.09 2.29 0.00 121 T 8.56 4.71 4.40 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 1.20 0.00 0.00 122 D 8.45 4.45 0.00 2.57 2.39 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 0.00 123 P 0.00 4.20 0.00 1.56 0.49 0.00 3.57 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 1.75 1.53 0.00 124 G 8.34 3.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.30 3.63 1.55 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.36 0.73 0.00 0.00 126 Y 7.40 4.44 0.00 3.06 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 0.00 127 L 7.39 4.49 0.00 1.72 1.52 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.