NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7225 8.1633 120.2782 55.1859 34.1298 173.9103 2 K 4.8901 9.3854 121.1528 53.8261 36.4726 173.2239 3 Q 4.8416 9.5400 125.2276 54.8078 31.4356 173.9466 4 V 4.8220 9.0072 127.0935 61.5942 33.7572 174.3340 5 T 5.2965 8.9630 124.1408 61.7208 71.8492 172.8968 6 A 4.9899 9.1442 127.3358 50.2080 22.8128 174.9287 7 I 4.8096 8.6266 123.7655 59.9329 38.7099 174.8081 8 I 4.8471 8.6065 121.2069 58.3046 41.3080 175.0233 9 K 4.1791 8.0885 120.7634 55.2546 32.8867 176.5474 10 P 4.1535 0.0000 0.0000 65.6871 31.3803 178.8141 11 F 4.3733 7.2785 111.1578 59.3363 38.2124 176.6076 12 K 4.3194 7.3435 119.6096 56.9431 31.5569 178.4923 13 L 3.9109 7.8353 122.8411 58.1877 41.9998 178.2969 14 D 4.3623 8.1396 118.4150 57.4611 40.7024 178.3382 15 E 3.9016 8.1567 118.9732 59.4208 29.6365 178.8661 16 V 3.5524 7.7974 118.1930 65.7995 31.5642 177.7518 17 R 3.8524 8.2063 118.7288 59.6118 29.9550 178.1522 18 E 3.9375 8.3740 119.1017 59.2512 29.8083 178.6615 19 S 4.1024 8.4139 113.5997 61.4233 62.4433 176.1947 20 L 3.9295 8.3696 121.8933 57.6220 41.3295 179.3044 21 A 4.1104 8.1896 120.8771 55.0971 18.1115 179.2266 22 E 4.2940 8.2135 115.5769 58.1764 29.4457 178.1496 23 V 4.2558 6.7253 109.6375 60.8163 32.1440 176.2327 24 G 3.8863 8.5013 106.6466 46.1866 0.0000 174.1583 25 V 4.3534 7.8598 113.3322 59.6692 32.7755 175.9477 26 T 4.5699 8.4373 112.2506 60.8095 70.1434 174.8875 27 G 3.8919 7.8375 112.1587 44.4487 0.0000 172.3226 28 L 4.6351 7.8492 124.2326 54.4735 43.5159 175.8336 29 T 4.6371 8.4384 119.1083 61.9446 71.0844 173.7657 30 V 4.8359 8.3029 124.4460 61.4569 34.2191 174.5239 31 T 4.6625 8.8168 124.3409 61.7271 71.7073 173.2380 32 E 4.6653 8.7252 125.1552 55.8327 30.2495 176.0951 33 V 4.4700 8.3822 117.6394 59.3503 35.5460 174.8582 34 K 4.7953 8.3216 120.1043 54.5851 35.3406 176.0807 35 G 4.1643 8.2439 108.5590 44.3404 0.0000 172.4462 36 F 5.0907 8.5904 120.7706 57.2083 39.9488 175.1165 *50 E 4.3234 8.6645 119.2452 56.0040 30.8037 175.2619 51 Y 4.4149 7.7291 118.8180 55.9404 41.0574 173.8331 52 V 4.4110 7.8506 126.4051 61.0335 34.3007 174.7700 53 V 4.5378 8.0593 118.8331 58.9563 35.2317 175.0726 54 D 4.3645 8.7217 121.7571 54.8493 40.9601 176.1541 55 F 5.1883 8.7956 126.8389 56.8424 40.1638 174.2674 56 L 4.5666 8.6799 126.7323 52.9188 43.6737 174.2987 57 P 4.7831 0.0000 0.0000 61.9956 32.2607 175.6163 58 K 4.6339 9.0614 123.5700 54.4170 36.6910 174.9469 59 V 4.6775 8.4357 121.2190 61.0663 34.0984 174.0883 60 K 4.8980 8.8677 129.7867 55.4904 33.6932 175.1057 61 I 5.0117 8.8981 128.3437 59.5593 40.6152 174.4008 62 E 5.1798 8.9525 125.0788 54.7492 33.4870 175.2307 63 V 4.7171 8.8203 116.6429 59.7128 36.4513 174.1864 64 V 4.7998 8.4357 124.5059 61.5348 32.9049 175.1134 65 V 4.6370 8.8122 120.1595 59.4448 36.7428 174.3601 66 D 4.7165 8.5857 121.4203 54.0099 41.8711 176.7479 67 D 4.3375 9.0387 127.5238 58.2993 40.9160 179.4745 68 K 4.2276 8.3425 117.9662 56.0215 32.0428 180.5188 69 V 4.6291 7.7687 111.7208 61.3225 32.1604 177.6501 70 V 3.5821 7.3607 119.3070 66.3944 31.2943 177.5248 71 E 3.9588 8.2265 117.5624 59.5701 29.1998 179.3561 72 Q 3.9978 8.0508 116.8899 58.9679 28.8193 178.0762 73 A 3.9221 8.1057 122.7167 55.1100 18.5351 179.6008 74 V 3.5153 8.3618 116.9392 66.3346 31.4674 177.7735 75 D 4.2930 8.2919 117.4395 57.1176 41.1841 178.0719 76 A 3.9822 8.2276 121.5241 55.1612 18.3466 179.7178 77 I 3.6258 7.7443 118.2804 64.5000 37.1925 178.4688 78 I 3.6356 7.7052 120.5406 64.4984 36.7738 178.2234 79 K 3.7903 7.8522 117.4252 59.7646 32.0834 178.6849 80 A 4.3888 7.7994 117.9315 53.7865 18.8855 178.5879 81 A 4.3247 8.1530 118.4083 52.3555 19.5732 177.7646 82 R 4.1415 7.5204 118.8625 56.6362 30.4975 176.1208 83 T 4.4585 10.1830 115.5801 60.9134 70.7662 174.7860 84 G 4.0690 8.7288 109.1458 45.3754 0.0000 174.0589 85 K 4.3222 7.6023 118.0403 55.4656 32.8829 176.9517 86 I 3.7752 7.9881 121.8604 62.9324 36.3020 176.5146 87 G 3.9272 8.8802 111.1531 46.2163 0.0000 175.2887 88 D 4.3107 8.0033 121.1059 55.3680 41.0224 175.3328 89 G 4.2065 7.2814 100.6013 44.7836 0.0000 172.3199 90 K 4.5841 8.1839 115.7483 54.5994 36.8769 175.6102 91 I 4.7736 7.7829 121.5516 59.5252 39.9416 175.1403 92 F 5.0466 8.8950 124.2946 55.5906 43.0115 174.2211 93 V 4.9415 8.5156 120.4060 61.4434 33.8534 174.6083 94 Q 4.7497 9.0043 125.5699 53.9173 33.4157 173.9843 95 E 4.4446 8.7677 122.0635 55.9483 30.8215 175.8039 96 V 4.2490 8.4696 127.0127 61.2415 32.2760 175.4580 97 E 4.1828 8.9815 128.5635 59.1156 29.7762 177.4606 98 Q 4.6205 7.6335 114.7649 54.2556 33.2550 173.7946 99 V 4.5891 8.1942 119.8962 61.2429 35.3386 174.2313 100 I 5.0919 8.1222 126.0736 59.6573 40.8211 174.5263 101 R 4.1984 9.0716 128.8126 55.5718 30.5250 177.4350 102 I 3.7232 8.5454 127.7897 64.3940 37.5621 177.4960 103 R 4.0575 8.0953 119.7282 58.5650 30.0903 176.8389 104 T 4.3148 7.7829 105.2063 60.4239 70.4003 175.1662 105 G 3.9067 8.4092 109.3162 45.7612 0.0000 173.7608 106 E 4.1286 7.9749 119.8689 56.5797 29.6697 176.1302 107 T 5.4704 7.1776 109.6646 59.1913 73.3587 175.1204 108 G 3.9237 8.3730 109.9697 46.0938 0.0000 175.0780 109 P 4.2946 0.0000 0.0000 65.4644 31.4064 178.1287 110 D 4.4040 7.7292 115.9178 56.5388 40.7361 176.9432 111 A 4.3560 7.7818 120.2067 52.4804 19.3257 177.6274 112 V 3.9465 7.2596 113.6853 61.2945 31.7259 175.8820 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 M 8.16 4.72 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 2 K 9.39 4.89 0.00 1.63 1.75 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.60 7.81 3 Q 9.54 4.84 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 4 V 9.01 4.82 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 0.91 0.00 0.00 0.94 0.00 0.00 5 T 8.96 5.30 4.53 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 1.41 0.00 0.00 6 A 9.14 4.99 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 7 I 8.63 4.81 1.90 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 1.48 1.43 0.91 0.00 0.00 8 I 8.61 4.85 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.73 0.84 0.00 0.00 9 K 8.09 4.18 0.00 1.17 0.80 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.30 7.81 10 P 0.00 4.15 0.00 2.13 2.07 0.00 3.49 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 11 F 7.28 4.37 0.00 3.11 3.27 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 12 K 7.34 4.32 0.00 1.72 1.83 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.23 1.52 7.81 13 L 7.84 3.91 0.00 1.91 1.64 0.91 1.18 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 14 D 8.14 4.36 0.00 2.75 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 15 E 8.16 3.90 0.00 2.06 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 0.00 2.39 2.39 0.00 16 V 7.80 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 17 R 8.21 3.85 0.00 1.94 2.22 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 18 E 8.37 3.94 0.00 2.20 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 2.31 2.46 0.00 19 S 8.41 4.10 0.00 3.91 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 20 L 8.37 3.93 0.00 1.92 1.85 0.91 0.66 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 21 A 8.19 4.11 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 22 E 8.21 4.29 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 2.34 2.61 0.00 23 V 6.73 4.26 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 0.68 0.00 0.00 1.00 0.00 0.00 24 G 8.50 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 25 V 7.86 4.35 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 0.75 0.00 0.00 0.93 0.00 0.00 26 T 8.44 4.57 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 27 G 7.84 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 28 L 7.85 4.64 0.00 1.52 1.59 0.96 0.92 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 29 T 8.44 4.64 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 30 V 8.30 4.84 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 0.80 0.00 0.00 0.92 0.00 0.00 31 T 8.82 4.66 4.22 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 0.00 0.00 0.00 1.19 0.00 0.00 32 E 8.73 4.67 0.00 1.80 1.84 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 2.24 2.30 0.00 33 V 8.38 4.47 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 0.70 0.00 0.00 0.87 0.00 0.00 34 K 8.32 4.80 0.00 0.86 0.74 0.00 0.94 0.00 0.00 1.44 0.00 0.00 2.73 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.96 0.70 7.81 35 G 8.24 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 36 F 8.59 5.09 0.00 3.10 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 *50 E 8.66 4.32 0.00 1.98 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 2.28 2.36 0.00 51 Y 7.73 4.41 0.00 2.94 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 V 7.85 4.41 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 0.88 0.00 0.00 0.91 0.00 0.00 53 V 8.06 4.54 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 0.90 0.00 0.00 1.10 0.00 0.00 54 D 8.72 4.36 0.00 2.76 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 55 F 8.80 5.19 0.00 2.89 2.96 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 56 L 8.68 4.57 0.00 1.61 1.52 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.78 0.00 1.87 1.89 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 58 K 9.06 4.63 0.00 1.55 1.74 0.00 1.54 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.25 7.81 59 V 8.44 4.68 2.01 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 0.87 0.00 0.00 0.88 0.00 0.00 60 K 8.87 4.90 0.00 1.87 1.64 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.45 7.81 61 I 8.90 5.01 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 1.21 0.67 0.90 0.00 0.00 62 E 8.95 5.18 0.00 1.89 1.80 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 2.23 2.27 0.00 63 V 8.82 4.72 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 64 V 8.44 4.80 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 0.87 0.00 0.00 0.93 0.00 0.00 65 V 8.81 4.64 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 0.71 0.00 0.00 0.93 0.00 0.00 66 D 8.59 4.72 0.00 2.67 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 67 D 9.04 4.34 0.00 2.82 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 68 K 8.34 4.23 0.00 1.79 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.28 7.81 69 V 7.77 4.63 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 1.13 0.00 0.00 0.93 0.00 0.00 70 V 7.36 3.58 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 1.03 0.00 0.00 0.94 0.00 0.00 71 E 8.23 3.96 0.00 2.09 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 2.43 0.00 72 Q 8.05 4.00 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 73 A 8.11 3.92 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 74 V 8.36 3.52 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 0.96 0.00 0.00 0.93 0.00 0.00 75 D 8.29 4.29 0.00 3.04 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 76 A 8.23 3.98 1.43 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 0.00 0.00 0.00 77 I 7.74 3.63 1.97 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 1.50 0.71 0.87 0.00 0.00 78 I 7.71 3.64 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.89 0.89 0.00 0.00 79 K 7.85 3.79 0.00 1.88 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.67 7.81 80 A 7.80 4.39 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 81 A 8.15 4.32 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 82 R 7.52 4.14 0.00 1.90 1.86 0.00 3.20 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 83 T 10.18 4.46 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 1.39 0.00 0.00 84 G 8.73 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 85 K 7.60 4.32 0.00 1.83 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.60 7.81 86 I 7.99 3.78 1.89 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 1.36 0.76 0.93 0.00 0.00 87 G 8.88 3.93 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 0.00 0.00 0.00 88 D 8.00 4.31 0.00 2.66 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 89 G 7.28 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 0.00 0.00 0.00 0.00 90 K 8.18 4.58 0.00 1.31 1.11 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.40 7.81 91 I 7.78 4.77 1.71 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.89 0.00 0.00 92 F 8.90 5.05 0.00 3.03 2.91 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 0.00 0.00 0.00 93 V 8.52 4.94 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 0.84 0.00 0.00 0.95 0.00 0.00 94 Q 9.00 4.75 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 95 E 8.77 4.44 0.00 1.99 1.84 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 2.28 2.31 0.00 96 V 8.47 4.25 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 0.85 0.00 0.00 0.95 0.00 0.00 97 E 8.98 4.18 0.00 2.00 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 2.31 2.33 0.00 98 Q 7.63 4.62 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 99 V 8.19 4.59 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 1.02 0.00 0.00 0.93 0.00 0.00 100 I 8.12 5.09 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 1.23 0.65 0.91 0.00 0.00 101 R 9.07 4.20 0.00 1.86 1.80 0.00 3.09 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 102 I 8.55 3.72 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 1.30 0.65 0.91 0.00 0.00 103 R 8.10 4.06 0.00 1.77 1.95 0.00 3.19 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 104 T 7.78 4.31 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 0.00 105 G 8.41 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.97 4.13 0.00 2.06 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 2.33 2.25 0.00 107 T 7.18 5.47 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 0.00 108 G 8.37 3.92 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 0.00 0.00 0.00 109 P 0.00 4.29 0.00 2.19 2.11 0.00 3.60 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 2.11 2.11 0.00 110 D 7.73 4.40 0.00 2.92 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 0.00 111 A 7.78 4.36 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 0.00 112 V 7.26 3.95 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 0.67 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.