NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -9 A 4.3764 8.2649 123.5881 52.2511 20.1106 176.1646 -8 K 5.1513 8.6940 117.0153 54.9811 34.0414 174.3602 -7 E 4.6021 8.0483 116.5931 53.9543 29.3728 173.8432 -6 S 4.4537 7.0535 121.5686 59.3821 68.6532 175.7546 -5 T 4.6312 7.1993 119.9201 62.3091 72.0830 173.3943 -4 G 3.9676 8.6838 123.3279 46.1569 0.0000 174.5006 -3 F 4.8189 5.8209 120.5937 56.1832 40.6982 174.0020 -2 K 4.2279 7.3730 126.2078 53.4269 35.6487 174.4262 -1 P 4.0707 0.0000 0.0000 62.0913 32.5330 175.7067 -8 G 4.7913 8.7340 105.4153 43.8811 0.0000 172.6602 -7 S 4.7221 7.9383 112.0931 55.6543 63.2728 171.8432 -6 A 4.3037 6.9835 129.6686 53.5821 23.9532 178.9546 -5 K 4.6012 7.3393 126.7201 56.7091 35.3830 175.2943 -4 K 4.3276 8.6438 134.9279 57.2569 35.7658 176.2006 -3 G 4.1589 5.8509 109.0937 43.5832 0.0000 173.1020 -2 A 4.2279 7.3230 129.6078 49.7269 21.6487 175.6262 -1 T 4.0007 7.9475 115.4098 60.5913 70.2330 173.1067 9 L 4.1328 7.7044 121.8462 57.4387 41.6878 178.8127 10 F 3.9624 8.0210 120.2460 61.0561 39.1822 176.8941 11 K 3.9446 8.0092 117.7905 59.7041 32.2222 178.2384 12 T 4.1795 7.7808 107.2763 63.2220 69.2793 175.7436 13 R 4.5688 8.0419 118.6302 55.9838 32.4777 175.9900 14 C 4.3091 7.8622 115.3082 60.0104 30.4084 175.9513 15 Q 4.1720 7.4177 119.5119 58.1339 28.9142 177.7843 16 Q 3.9213 8.0959 118.1109 58.9271 29.0197 176.6072 17 C 4.8453 8.0426 111.8683 59.6008 30.2746 173.4913 18 H 5.2892 7.9540 115.9239 54.2391 33.2055 172.4547 19 T 4.9053 8.5969 110.2168 60.3145 71.5105 174.3885 20 I 4.4046 8.2801 120.1250 60.2393 39.8881 175.6386 21 E 4.1987 7.9102 117.8295 55.6324 30.3740 175.6228 22 E 3.7927 8.2484 121.1003 57.4689 30.0329 176.9782 23 G 3.8979 8.8446 112.9082 45.9873 0.0000 173.7461 24 G 3.8229 7.7712 108.4021 44.1127 0.0000 172.4349 25 P 4.6551 0.0000 0.0000 61.2960 32.8146 175.4854 26 N 4.7831 8.3801 116.1251 53.2183 40.0915 175.2070 27 K 4.5968 8.3465 123.1943 55.4846 32.9250 178.4124 28 V 3.7158 8.9748 124.7241 66.2521 31.4779 175.9810 29 G 3.9503 7.9727 107.6123 42.2753 0.0000 170.7222 30 P 4.5598 0.0000 0.0000 61.3621 32.2154 175.7371 31 N 4.5772 8.9451 118.6086 54.0377 39.4187 174.7892 32 L 4.4062 8.6884 123.6136 54.4433 42.3932 176.0389 33 H 4.2248 8.1141 119.6866 57.4823 30.1793 175.1478 34 G 3.8946 9.2166 114.0917 46.2238 0.0000 175.2210 35 I 3.5535 7.5391 122.6001 63.7102 37.9820 178.3502 36 F 4.3873 8.0218 117.8259 59.7766 38.9183 175.5270 37 G 4.1998 7.6466 109.0622 44.9165 0.0000 173.1687 38 R 4.7175 7.6475 118.2792 54.9366 34.1488 173.8380 39 H 4.9809 8.6792 120.7189 54.6731 30.2621 175.2403 40 S 4.2752 8.2538 115.3478 58.7988 63.8121 174.0704 41 G 2.1518 8.2277 108.1661 46.6899 0.0000 174.2020 42 Q 4.4984 7.7521 116.3195 54.9630 29.8945 176.3813 43 V 3.8622 8.1651 120.4692 62.0296 32.1165 175.4348 44 K 4.1015 8.6243 126.7588 58.3291 32.8097 177.4904 45 G 3.9469 8.9433 109.6516 45.7007 0.0000 172.4066 46 Y 4.2188 7.4863 120.2613 55.9356 40.0329 174.8855 47 S 4.4812 6.8942 122.8717 57.4365 62.2423 173.5435 48 Y 4.7392 8.1597 123.1815 56.6743 39.1337 176.4923 49 T 4.3075 8.3856 111.7108 61.7235 71.0817 175.3484 50 D 4.3869 8.6788 121.6808 57.2739 40.7879 178.8733 51 A 3.9660 7.9951 121.0024 55.2958 18.2648 179.3613 52 I 3.5926 7.5162 115.4123 64.1017 38.1543 177.9411 53 I 3.6980 7.4572 120.1987 64.5321 36.7810 178.1657 54 N 4.2607 8.0335 115.9008 56.1136 38.3587 176.9847 55 K 3.7940 8.0530 120.5903 57.4962 33.0197 176.2879 56 N 3.9129 7.5239 115.6573 54.3068 37.9682 174.1769 57 V 3.5796 7.1634 117.8408 62.4670 33.2444 175.5397 58 K 4.2635 8.1315 127.1074 54.8893 33.2433 176.2629 59 W 4.6670 8.1506 126.5693 57.0780 29.7680 175.6465 60 D 5.0438 9.0725 122.1072 51.3082 42.3657 175.7447 61 E 3.8979 8.8039 117.4678 59.5783 29.1338 179.3250 62 D 4.3847 8.1955 118.7350 57.5225 41.0887 178.7948 63 S 4.1556 8.9763 115.2387 61.5762 62.8914 176.0471 64 M 4.1500 8.6061 121.9949 58.5083 32.1330 178.0478 65 S 4.1406 8.1959 113.2427 61.4823 62.3128 176.0746 66 E 3.8493 8.0973 121.0981 59.5378 28.9335 178.6041 67 Y 4.3551 7.9494 119.8485 60.9675 38.9307 178.2771 68 L 4.1120 8.4013 119.6640 57.5220 41.6508 179.6585 69 T 4.2778 7.6799 117.3144 64.9298 68.8849 173.6343 70 N 4.6845 7.8994 119.7168 52.3647 40.3382 172.6891 71 P 4.2047 0.0000 0.0000 62.5131 31.6474 178.2416 *73 K 4.2466 8.0246 121.2288 56.6730 33.7749 176.4192 74 Y 4.4844 8.2704 118.8945 60.0077 39.0476 175.5140 75 I 4.5066 8.3321 121.2290 58.0151 37.8986 171.4670 76 P 4.4463 0.0000 0.0000 63.8340 31.8245 177.0428 77 G 4.0553 9.0085 111.2567 45.3373 0.0000 173.7693 78 T 4.1157 7.8470 114.6478 62.2240 67.7826 173.8204 79 K 4.4022 8.5869 125.0577 56.7751 33.2599 176.1465 80 M 4.0829 7.8846 120.0064 55.9938 32.1693 176.1516 81 A 4.5437 8.4401 130.4806 50.4654 18.1593 174.1807 82 F 4.8085 8.0905 120.7621 56.3794 42.5560 174.3735 83 A 3.7720 8.1579 131.3868 55.5945 18.3755 176.7066 84 G 3.8793 5.3800 98.7039 44.2684 0.0000 173.4741 85 L 4.6032 9.0860 120.6936 52.7724 42.2561 177.8943 86 K 4.0701 8.5075 124.1985 58.2668 32.7832 178.5872 87 K 4.3147 7.8719 119.2963 55.2550 33.5151 177.0345 88 E 3.9683 8.8760 124.7719 59.3980 29.5682 178.9615 89 K 3.9201 8.0799 117.8576 59.7133 32.1084 178.8162 90 D 4.3931 8.0573 118.3781 57.5377 40.7882 178.8820 91 R 4.0229 8.0852 118.5674 59.3297 30.0560 178.9661 92 N 4.6444 8.6566 116.6763 56.3925 38.5796 177.1253 93 D 4.4359 8.3088 120.3097 57.3866 40.9976 178.5887 94 L 4.1281 8.2045 120.7496 58.5196 42.0605 179.1619 95 I 3.8980 8.2473 119.8226 64.4683 36.5161 178.5212 96 T 4.0231 8.2993 116.8060 66.7870 68.2517 175.9051 97 Y 4.0866 8.1487 121.1879 61.0943 38.8162 177.8698 98 M 3.6856 8.5385 120.1977 58.6108 31.8637 178.9653 99 T 3.3714 7.7542 109.1815 64.1618 69.1748 176.4601 100 K 3.9060 7.4957 121.7510 59.4197 32.1387 178.8777 101 A 3.8761 7.5024 119.6284 54.5784 18.4211 178.7226 102 A 3.9557 8.1111 118.2224 53.0968 18.5157 177.5313 103 K 3.9913 7.3125 122.4639 56.4021 32.2759 176.3127 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 -9 A 8.26 4.38 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 -8 K 8.69 5.15 0.00 1.91 1.88 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.63 7.81 -7 E 8.05 4.60 0.00 2.08 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 2.29 2.38 0.00 -6 S 7.05 4.45 0.00 3.81 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 -5 T 7.20 4.63 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 -4 G 8.68 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 -3 F 5.82 4.82 0.00 2.93 3.02 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 -2 K 7.37 4.23 0.00 1.44 1.39 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.32 7.81 -1 P 0.00 4.07 0.00 2.08 1.96 0.00 3.67 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 -8 G 8.73 4.79 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 0.00 0.00 0.00 -7 S 7.94 4.72 0.00 3.91 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 -6 A 6.98 4.30 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 -5 K 7.34 4.60 0.00 1.84 1.49 0.00 1.10 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.21 7.81 -4 K 8.64 4.33 0.00 1.53 1.09 0.00 0.61 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.16 1.16 7.81 -3 G 5.85 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 -2 A 7.32 4.23 1.14 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 -1 T 7.95 4.00 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 9 L 7.70 4.13 0.00 1.91 1.79 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.02 3.96 0.00 3.17 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 11 K 8.01 3.94 0.00 1.81 1.96 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.18 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.45 7.81 12 T 7.78 4.18 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 1.23 0.00 0.00 13 R 8.04 4.57 0.00 1.76 1.99 0.00 3.32 0.00 0.00 3.28 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 14 C 7.86 4.31 0.00 1.23 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 0.00 0.00 0.00 15 Q 7.42 4.17 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 16 Q 8.10 3.92 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 17 C 8.04 4.85 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 18 H 7.95 5.29 0.00 2.92 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.60 4.91 4.66 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 1.26 0.00 0.00 20 I 8.28 4.40 1.52 0.00 0.00 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 1.13 0.79 0.55 0.00 0.00 21 E 7.91 4.20 0.00 2.11 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 2.34 2.23 0.00 22 E 8.25 3.79 0.00 1.64 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 2.13 2.13 0.00 23 G 8.84 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 G 7.77 3.82 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 0.00 0.00 0.00 25 P 0.00 4.66 0.00 2.21 2.09 0.00 3.79 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 1.98 1.99 0.00 26 N 8.38 4.78 0.00 2.83 2.98 0.00 0.00 6.68 7.61 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 27 K 8.35 4.60 0.00 1.83 1.26 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.35 7.81 28 V 8.97 3.72 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 0.78 0.00 0.00 0.93 0.00 0.00 29 G 7.97 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 0.00 0.00 0.00 30 P 0.00 4.56 0.00 1.96 0.96 0.00 3.51 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.52 0.00 31 N 8.95 4.58 0.00 2.94 2.77 0.00 0.00 7.08 7.95 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 32 L 8.69 4.41 0.00 1.66 1.46 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.11 4.22 0.00 3.27 3.22 0.00 6.06 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 34 G 9.22 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.54 3.55 1.70 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 0.61 0.40 0.11 0.00 0.00 36 F 8.02 4.39 0.00 3.06 3.05 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 0.00 0.00 0.00 37 G 7.65 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 0.00 0.00 0.00 0.00 38 R 7.65 4.72 0.00 1.96 1.96 0.00 3.13 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 39 H 8.68 4.98 0.00 2.96 3.16 0.00 5.95 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 40 S 8.25 4.28 0.00 3.81 3.30 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 41 G 8.23 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 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 7.75 4.50 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 43 V 8.17 3.86 2.27 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 1.11 0.00 0.00 1.08 0.00 0.00 44 K 8.62 4.10 0.00 1.95 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.43 7.81 45 G 8.94 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 0.00 0.00 0.00 46 Y 7.49 4.22 0.00 2.98 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.89 4.48 0.00 3.51 3.65 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 0.00 0.00 0.00 0.00 48 Y 8.16 4.74 0.00 3.07 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 49 T 8.39 4.31 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 1.34 0.00 0.00 50 D 8.68 4.39 0.00 2.73 2.77 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 51 A 8.00 3.97 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 52 I 7.52 3.59 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.85 1.11 0.00 0.00 53 I 7.46 3.70 1.84 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 1.50 0.59 0.85 0.00 0.00 54 N 8.03 4.26 0.00 2.88 2.84 0.00 0.00 7.06 7.18 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 55 K 8.05 3.79 0.00 1.74 1.84 0.00 1.59 0.00 0.00 1.37 0.00 0.00 2.26 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.13 1.16 7.81 56 N 7.52 3.91 0.00 2.79 2.67 0.00 0.00 7.21 7.59 0.00 0.00 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 V 7.16 3.58 1.42 0.00 0.00 0.00 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 0.32 0.00 0.00 58 K 8.13 4.26 0.00 1.55 1.32 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.32 7.81 59 W 8.15 4.67 0.00 3.23 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 60 D 9.07 5.04 0.00 2.95 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 61 E 8.80 3.90 0.00 1.96 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 1.47 1.74 0.00 62 D 8.20 4.38 0.00 2.89 2.77 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 63 S 8.98 4.16 0.00 4.19 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 0.00 64 M 8.61 4.15 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 65 S 8.20 4.14 0.00 4.14 4.03 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 0.00 0.00 0.00 66 E 8.10 3.85 0.00 1.28 1.50 0.00 0.00 0.00 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 2.42 0.00 67 Y 7.95 4.36 0.00 3.29 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 68 L 8.40 4.11 0.00 1.78 1.80 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.68 4.28 4.39 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 1.23 0.00 0.00 70 N 7.90 4.68 0.00 2.70 2.70 0.00 0.00 7.26 7.46 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 71 P 0.00 4.20 0.00 2.13 1.31 0.00 3.91 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 2.29 1.94 0.00 *73 K 8.02 4.25 0.00 1.78 2.13 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.60 7.81 74 Y 8.27 4.48 0.00 3.09 3.46 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 75 I 8.33 4.51 2.12 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.72 0.93 0.00 0.00 76 P 0.00 4.45 0.00 2.06 2.03 0.00 3.63 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 2.13 0.00 77 G 9.01 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 78 T 7.85 4.12 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 1.53 0.00 0.00 79 K 8.59 4.40 0.00 1.96 1.97 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.54 7.81 80 M 7.88 4.08 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.54 0.00 81 A 8.44 4.54 1.29 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 0.00 0.00 82 F 8.09 4.81 0.00 2.85 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 83 A 8.16 3.77 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 84 G 5.38 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 0.00 0.00 0.00 85 L 9.09 4.60 0.00 1.78 1.69 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.51 4.07 0.00 1.73 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.37 7.81 87 K 7.87 4.31 0.00 1.96 1.75 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 88 E 8.88 3.97 0.00 2.05 1.97 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 2.40 2.45 0.00 89 K 8.08 3.92 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.55 7.81 90 D 8.06 4.39 0.00 2.89 2.77 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 91 R 8.09 4.02 0.00 2.09 2.08 0.00 3.28 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 92 N 8.66 4.64 0.00 2.86 2.91 0.00 0.00 7.01 7.92 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 93 D 8.31 4.44 0.00 2.88 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 94 L 8.20 4.13 0.00 1.85 1.78 1.26 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.25 3.90 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.67 0.18 0.00 0.00 96 T 8.30 4.02 4.55 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 1.31 0.00 0.00 97 Y 8.15 4.09 0.00 3.28 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 98 M 8.54 3.69 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.55 0.00 99 T 7.75 3.37 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 -0.01 0.00 0.00 100 K 7.50 3.91 0.00 1.80 1.82 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.42 7.81 101 A 7.50 3.88 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 0.00 102 A 8.11 3.96 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 0.00 103 K 7.31 3.99 0.00 1.90 1.63 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.