NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4626 8.3349 115.4119 57.7946 64.8249 173.7166 10 D 4.6629 7.8577 119.3873 53.6905 42.5023 174.9354 11 K 4.1162 8.7173 121.0931 55.2698 33.6264 174.6184 12 P 4.7438 0.0000 0.0000 62.6028 32.4640 175.6289 13 V 5.0517 8.7726 122.4383 60.5422 35.2421 173.5080 14 A 4.8758 9.1461 124.0537 51.2846 23.2860 175.2001 15 H 4.7943 9.3969 122.0738 55.2453 32.0635 172.4515 16 V 4.7624 8.7295 118.9639 59.7244 34.3598 175.3539 17 V 5.4162 8.6954 115.0994 59.2604 35.9509 175.0555 18 A 4.1667 8.5302 124.1920 51.8281 19.1873 177.1278 19 N 4.4293 8.6606 121.6908 53.5350 39.4337 175.4415 20 H 4.2238 8.9582 121.7445 56.9093 29.1891 175.7957 21 Q 4.2552 8.0095 118.5194 56.3047 29.0771 176.3394 22 V 4.3105 6.8843 118.5196 60.0692 30.8861 174.1176 23 E 4.0569 8.1494 121.2910 57.7377 30.2337 176.9971 24 E 3.9597 8.9773 119.2972 57.0995 27.1188 174.1506 25 Q 4.4645 7.9265 115.5328 54.3329 32.8498 174.6130 26 L 4.1430 8.2562 122.3534 53.2368 42.4089 174.8383 27 E 4.5646 7.7977 127.1528 53.7617 32.1697 174.6665 28 W 5.1723 9.1608 128.2066 56.6602 29.9945 175.9520 29 L 5.0776 9.5971 124.1077 53.1488 44.6984 177.3638 30 S 4.5111 8.7696 114.5999 59.0255 65.3172 175.0262 31 Q 4.4150 7.8511 121.5262 54.8823 27.2339 175.5772 32 R 4.6839 7.3090 116.9904 54.0299 34.8985 176.7159 33 A 4.0436 8.8610 124.0976 54.9683 18.3868 178.2794 34 N 4.9084 8.0772 111.0763 53.1136 39.2732 174.0828 35 A 5.0859 7.6944 119.0863 50.5056 22.0858 176.8022 36 L 4.6657 8.9140 117.8697 53.7762 46.7317 176.1157 37 L 4.6180 8.2900 122.6049 54.5977 43.4849 173.2672 38 A 4.6495 9.1221 127.1405 49.4786 23.5612 174.7431 39 N 4.0486 9.9677 112.4097 54.9283 36.1988 176.4501 40 G 4.0833 8.4991 106.2707 45.6822 0.0000 174.8962 41 M 4.3760 7.8281 119.2444 55.5749 32.5854 175.6449 42 D 5.0376 8.7632 122.3162 52.2651 45.1446 174.8008 43 L 5.1175 8.4321 122.6438 53.3028 44.3127 175.6425 44 K 4.5101 8.8518 127.3562 56.0431 35.4418 175.6992 45 D 4.5017 9.6512 125.1121 55.6993 38.3391 173.5589 46 N 4.4516 8.5113 111.5602 54.2292 38.0200 172.7543 47 Q 5.0743 7.9265 114.7894 53.9476 32.8363 174.4406 48 L 4.5960 8.8049 122.7355 54.0171 43.4120 175.7651 49 V 4.6354 8.6961 124.6917 60.9904 33.7864 174.8113 50 V 4.0539 8.1653 128.6291 62.0163 32.1751 174.8314 51 P 4.5185 0.0000 0.0000 63.6451 32.1413 175.3718 52 A 4.6580 7.4522 118.9740 50.8456 22.2744 175.7845 53 D 4.7153 8.8040 120.3676 53.5780 41.6542 176.8935 54 G 4.0025 8.0591 111.3244 45.2281 0.0000 170.7342 55 L 4.9816 7.4249 119.0538 54.2035 43.2446 176.0785 56 Y 5.2088 9.1945 120.3873 56.1804 42.7153 174.0190 57 L 4.8865 9.1145 126.2524 54.3623 43.6788 175.3083 58 V 5.1127 9.4128 127.1237 61.3452 34.3684 173.8575 59 Y 5.3741 8.4091 124.5287 56.2483 42.1175 173.5059 60 S 4.9764 8.4887 112.1098 57.6320 66.6346 173.6610 61 Q 4.9693 8.4476 126.2720 54.3726 32.4613 174.2620 62 V 4.6843 8.4226 117.3771 59.3143 36.3500 174.1578 63 L 5.0526 8.0366 123.6271 53.4262 45.1256 175.0822 64 F 5.5552 9.2796 124.8937 55.9642 42.0658 174.5507 65 K 4.1506 9.1629 122.1196 54.9616 35.4934 175.4195 66 G 3.4022 6.2462 110.6143 44.8168 0.0000 171.6588 67 Q 4.6631 8.3521 120.4658 54.7515 30.8366 177.3065 68 G 3.9867 9.3630 114.1804 45.4310 0.0000 173.9140 69 C 5.0886 8.0740 111.6472 55.3356 41.2432 173.4545 70 P 4.2083 0.0000 0.0000 64.0331 31.9766 177.2398 71 D 4.8888 7.6930 117.6282 52.2775 44.7067 174.2495 72 Y 3.9700 8.3879 124.0548 56.9962 39.3518 174.5538 *74 V 4.0725 8.0134 125.1355 62.5954 32.4918 173.5276 75 L 4.6306 8.0091 125.6764 53.0118 43.4255 175.5792 76 L 4.6043 8.8776 125.6156 53.3251 43.4378 176.0807 77 T 5.2063 9.2184 113.2801 60.2303 72.7779 172.3224 78 H 5.3612 9.0353 121.9805 55.1334 33.4862 172.2001 79 T 5.0484 9.2801 121.7902 61.9155 73.2895 172.7731 80 V 4.5480 8.7903 126.2436 61.3480 33.6109 174.7453 81 S 5.2229 8.9426 123.3230 56.6663 67.2193 172.7194 82 R 5.1068 8.9919 121.9580 54.7348 32.7159 174.4063 83 F 5.0151 8.9510 126.7449 56.6764 43.4593 172.8436 84 A 4.4059 5.8000 124.7445 49.5970 22.0514 176.8362 85 I 3.4701 8.3915 114.4697 64.1647 37.3064 177.3590 86 S 4.3088 7.6384 112.6969 59.5624 63.3487 173.9529 87 Y 4.4065 7.4619 119.8437 57.8579 38.3412 175.9481 88 Q 4.1928 8.7973 122.7291 58.7534 28.9829 176.0304 89 E 4.9692 7.6881 111.9284 54.8571 32.0821 174.4072 90 K 4.8378 8.6745 118.5643 57.3392 33.5846 176.6614 91 V 4.5562 8.6399 115.2414 59.3206 34.6676 175.0037 92 N 4.5840 8.8834 122.4214 53.9744 38.4025 174.4578 93 L 4.4320 8.9211 123.6482 55.8937 43.6376 177.1570 94 L 4.8764 7.3891 116.6329 53.5128 46.2062 175.2725 95 S 5.1047 8.5646 114.4819 57.8915 65.4022 173.3183 96 A 4.8067 8.6590 125.2904 50.9594 22.9861 175.2248 97 V 4.9558 8.2446 117.7789 61.2990 35.0203 174.8195 98 K 4.7221 9.2439 124.6552 54.8482 36.8886 175.6793 99 S 4.6755 8.5683 117.1190 54.5378 63.1451 171.8093 100 P 3.9165 0.0000 0.0000 64.7026 31.5335 177.6901 101 C 4.8676 7.0806 115.1081 54.0602 43.4421 171.6447 102 P 4.8305 0.0000 0.0000 61.4863 32.3653 176.2357 103 K 4.0404 8.7220 119.5322 59.9146 32.4171 177.3637 104 D 4.4084 7.8507 118.7815 52.5690 39.7515 175.7734 105 T 4.2635 8.3647 119.8642 62.0217 68.4098 172.1616 106 P 4.3991 0.0000 0.0000 62.6504 31.8993 176.5923 107 E 4.0530 8.5116 122.0553 57.3669 30.1316 177.4662 108 G 3.8709 8.8591 107.9475 45.8422 0.0000 173.3475 109 A 4.3311 8.0973 124.2237 50.9628 21.3419 176.2647 110 E 3.7280 8.6217 115.8988 57.4384 27.3980 174.6296 111 L 4.2156 7.5678 118.3966 55.0635 42.9330 178.6653 112 K 4.5830 8.5563 122.8691 54.6497 33.2851 175.0224 113 P 4.6100 0.0000 0.0000 62.4911 32.4247 175.3882 114 W 5.0685 8.3066 118.6196 55.1550 31.1190 174.2472 115 Y 5.3695 8.8516 118.0024 56.5654 41.3526 174.8623 116 E 4.8847 10.0393 123.1534 54.4844 33.4155 172.9529 117 P 5.3947 0.0000 0.0000 61.6592 34.0591 175.1052 118 I 4.8187 8.6845 120.9462 59.9710 41.4885 173.4891 119 Y 5.1690 8.9191 127.4135 55.7539 41.1988 174.4892 120 L 4.9264 8.0088 125.8895 52.9822 45.9636 175.8074 121 G 4.3893 8.5740 104.6570 46.0169 0.0000 172.6673 122 G 4.2302 9.0797 110.6665 45.6698 0.0000 171.9332 123 V 4.9122 7.9447 120.1798 61.4018 32.8966 175.0980 124 F 4.9133 9.2268 125.5953 55.7400 43.6976 173.5556 125 Q 4.7592 9.0088 124.2868 55.8750 29.4346 174.7472 126 L 5.0264 9.6141 126.3045 53.0913 45.8719 175.2207 127 E 5.1640 9.2916 119.5052 53.9516 32.9552 175.9892 128 K 3.8253 9.1218 123.4822 58.5963 32.4629 177.3930 129 G 3.9582 9.0384 114.8078 45.1267 0.0000 173.4190 130 D 4.4779 8.0204 120.6371 54.6199 42.2889 175.3226 131 Q 4.9217 9.2370 122.0967 54.3686 31.0333 174.4288 132 L 5.3513 9.2699 125.2912 53.1076 44.0262 175.8311 133 S 5.1205 8.9206 117.4889 56.3779 66.5521 173.0101 134 A 4.6690 8.2636 122.6122 50.3208 20.8724 174.8741 135 E 4.8701 9.3213 120.7773 55.2628 34.5385 175.0103 136 V 5.3005 8.4602 119.5824 60.1466 34.2278 175.1498 137 N 4.5058 8.4626 123.1735 55.0388 38.2817 175.4308 138 L 4.7992 7.7824 119.1336 51.5255 42.2541 174.9067 139 P 4.5730 0.0000 0.0000 64.2175 31.7738 179.4929 140 K 3.8343 7.8782 117.8747 59.4132 32.7207 177.0370 141 Y 4.4906 7.6627 115.8105 57.5951 38.2845 175.4320 142 L 4.2602 7.6686 121.0323 54.5573 42.1156 176.2797 143 D 4.5025 8.4983 122.4836 52.4817 42.1689 175.8434 144 F 5.1137 7.6469 124.8489 56.3518 38.3526 176.3486 145 A 4.2339 8.3080 126.2071 55.3601 18.6825 178.5182 146 E 4.8224 7.9658 113.1942 54.2698 32.4757 176.1746 147 S 4.2788 8.4105 117.6909 59.9048 63.4762 174.9632 148 G 4.1113 8.9639 110.1396 46.1046 0.0000 174.2858 149 Q 4.4287 8.1386 118.3675 56.7497 30.0039 175.9845 150 V 4.7730 7.8440 117.6819 61.2783 34.6526 174.0164 151 Y 5.6996 8.7402 124.8267 56.4337 42.3217 173.5708 152 F 4.9680 8.8593 122.0516 57.0058 42.8703 173.2767 153 G 3.7868 8.5478 112.6609 44.3704 0.0000 171.2155 154 V 5.0441 8.4365 119.5295 61.2191 35.6098 173.7641 155 I 5.0901 9.0249 126.9423 59.2321 41.3138 173.8974 156 A 3.9133 8.9649 132.5706 51.9595 18.9332 177.1909 157 L 4.1932 8.3992 121.8161 54.8774 41.4491 176.9166 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 S 8.33 4.46 0.00 3.99 4.05 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 10 D 7.86 4.66 0.00 2.73 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 11 K 8.72 4.12 0.00 1.74 1.74 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 12 P 0.00 4.74 0.00 2.30 2.10 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 2.22 2.17 0.00 13 V 8.77 5.05 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 0.84 0.00 0.00 0.97 0.00 0.00 14 A 9.15 4.88 0.99 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 15 H 9.40 4.79 0.00 3.25 3.17 0.00 5.77 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.73 4.76 2.28 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 0.55 0.00 0.00 0.54 0.00 0.00 17 V 8.70 5.42 2.26 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 0.82 0.00 0.00 1.02 0.00 0.00 18 A 8.53 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.66 4.43 0.00 2.69 2.46 0.00 0.00 6.84 7.66 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 20 H 8.96 4.22 0.00 3.46 3.45 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.01 4.26 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.21 0.00 0.00 0.00 0.00 0.00 1.85 2.06 0.00 22 V 6.88 4.31 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 0.97 0.00 0.00 0.86 0.00 0.00 23 E 8.15 4.06 0.00 2.00 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 2.35 2.43 0.00 24 E 8.98 3.96 0.00 2.07 1.95 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 2.21 2.22 0.00 25 Q 7.93 4.46 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 26 L 8.26 4.14 0.00 1.40 1.36 -0.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.80 4.56 0.00 1.90 1.57 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 2.19 2.24 0.00 28 W 9.16 5.17 0.00 3.26 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 29 L 9.60 5.08 0.00 1.55 1.54 0.91 0.68 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 30 S 8.77 4.51 0.00 3.95 3.96 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 31 Q 7.85 4.41 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 32 R 7.31 4.68 0.00 1.81 1.77 0.00 3.33 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 33 A 8.86 4.04 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 34 N 8.08 4.91 0.00 2.71 2.80 0.00 0.00 6.69 7.35 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 35 A 7.69 5.09 1.38 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 36 L 8.91 4.67 0.00 1.52 1.50 0.93 0.57 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 37 L 8.29 4.62 0.00 1.56 1.52 0.83 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.12 4.65 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 39 N 9.97 4.05 0.00 2.97 3.05 0.00 0.00 6.98 7.90 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 40 G 8.50 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 41 M 7.83 4.38 0.00 1.82 2.19 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 2.55 2.50 0.00 42 D 8.76 5.04 0.00 2.55 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 43 L 8.43 5.12 0.00 1.55 1.53 1.04 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.85 4.51 0.00 1.75 1.57 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.39 7.81 45 D 9.65 4.50 0.00 2.83 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 46 N 8.51 4.45 0.00 2.88 2.99 0.00 0.00 7.04 7.08 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 47 Q 7.93 5.07 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 48 L 8.80 4.60 0.00 1.18 1.23 -0.46 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.70 4.64 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 0.93 0.00 0.00 0.96 0.00 0.00 50 V 8.17 4.05 1.76 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 0.84 0.00 0.00 -0.14 0.00 0.00 51 P 0.00 4.52 0.00 2.24 2.31 0.00 3.91 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 52 A 7.45 4.66 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 53 D 8.80 4.72 0.00 2.70 2.67 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 0.00 0.00 0.00 54 G 8.06 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 55 L 7.42 4.98 0.00 1.53 1.57 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.19 5.21 0.00 2.97 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 57 L 9.11 4.89 0.00 1.87 1.71 1.09 1.14 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 58 V 9.41 5.11 2.33 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 1.12 0.00 0.00 1.12 0.00 0.00 59 Y 8.41 5.37 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.49 4.98 0.00 3.68 3.50 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 0.00 0.00 0.00 61 Q 8.45 4.97 0.00 1.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.17 2.47 0.00 62 V 8.42 4.68 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 0.32 0.00 0.00 0.43 0.00 0.00 63 L 8.04 5.05 0.00 1.74 1.47 1.08 1.07 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 64 F 9.28 5.56 0.00 3.36 3.09 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 65 K 9.16 4.15 0.00 1.23 1.23 0.00 1.63 0.00 0.00 1.41 0.00 0.00 2.59 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.48 0.21 7.81 66 G 6.25 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 0.00 0.00 0.00 67 Q 8.35 4.66 0.00 1.85 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.81 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 68 G 9.36 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 69 C 8.07 5.09 0.00 2.97 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 70 P 0.00 4.21 0.00 2.22 2.22 0.00 3.43 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.01 0.00 71 D 7.69 4.89 0.00 2.67 2.59 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 0.00 0.00 0.00 0.00 72 Y 8.39 3.97 0.00 2.99 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 *74 V 8.01 4.07 1.52 0.00 0.00 0.00 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 0.81 0.00 0.00 75 L 8.01 4.63 0.00 1.43 1.46 0.97 0.84 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 76 L 8.88 4.60 0.00 1.18 0.55 0.24 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.22 5.21 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 1.20 0.00 0.00 78 H 9.04 5.36 0.00 3.35 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.28 5.05 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 1.24 0.00 0.00 80 V 8.79 4.55 1.95 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 0.86 0.00 0.00 0.67 0.00 0.00 81 S 8.94 5.22 0.00 3.76 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 82 R 8.99 5.11 0.00 1.75 1.82 0.00 3.10 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 83 F 8.95 5.02 0.00 3.12 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 5.80 4.41 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.39 3.47 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.41 0.96 0.00 0.00 86 S 7.64 4.31 0.00 4.02 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 87 Y 7.46 4.41 0.00 2.44 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 88 Q 8.80 4.19 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 89 E 7.69 4.97 0.00 2.12 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 2.24 2.35 0.00 90 K 8.67 4.84 0.00 1.92 1.99 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.51 7.81 91 V 8.64 4.56 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 0.64 0.00 0.00 1.01 0.00 0.00 92 N 8.88 4.58 0.00 2.61 2.77 0.00 0.00 6.92 7.85 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 93 L 8.92 4.43 0.00 1.21 0.63 0.21 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.39 4.88 0.00 1.50 1.52 1.10 1.06 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 95 S 8.56 5.10 0.00 3.83 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 96 A 8.66 4.81 1.28 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 0.00 0.00 0.00 97 V 8.24 4.96 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 0.83 0.00 0.00 0.94 0.00 0.00 98 K 9.24 4.72 0.00 1.60 1.50 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.42 7.81 99 S 8.57 4.68 0.00 3.56 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 0.00 100 P 0.00 3.92 0.00 0.49 1.03 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.46 0.00 101 C 7.08 4.87 0.00 2.69 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 0.00 102 P 0.00 4.83 0.00 2.39 2.03 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 103 K 8.72 4.04 0.00 1.80 1.78 0.00 1.46 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.39 7.81 104 D 7.85 4.41 0.00 2.80 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 0.00 105 T 8.36 4.26 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 0.00 106 P 0.00 4.40 0.00 2.06 2.02 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 107 E 8.51 4.05 0.00 1.96 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 2.32 2.31 0.00 108 G 8.86 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 0.00 0.00 0.00 109 A 8.10 4.33 1.26 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 0.00 0.00 0.00 110 E 8.62 3.73 0.00 2.07 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 2.20 2.38 0.00 111 L 7.57 4.22 0.00 1.58 1.66 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.56 4.58 0.00 1.68 1.79 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.41 7.81 113 P 0.00 4.61 0.00 1.59 2.02 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 114 W 8.31 5.07 0.00 3.36 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 0.00 115 Y 8.85 5.37 0.00 2.88 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 0.00 116 E 10.04 4.88 0.00 2.18 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 2.46 2.27 0.00 117 P 0.00 5.39 0.00 2.17 2.13 0.00 3.85 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 2.02 2.07 0.00 118 I 8.68 4.82 2.00 0.00 0.00 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 1.27 1.25 1.07 0.00 0.00 119 Y 8.92 5.17 0.00 3.06 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 0.00 120 L 8.01 4.93 0.00 1.40 1.45 0.63 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.57 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 0.00 0.00 0.00 0.00 122 G 9.08 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 0.00 0.00 0.00 0.00 123 V 7.94 4.91 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 0.80 0.00 0.00 0.92 0.00 0.00 124 F 9.23 4.91 0.00 3.06 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 0.00 125 Q 9.01 4.76 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 126 L 9.61 5.03 0.00 1.60 1.48 0.69 0.72 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 0.00 127 E 9.29 5.16 0.00 1.85 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 2.26 2.26 0.00 128 K 9.12 3.83 0.00 1.68 1.75 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 129 G 9.04 3.96 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 0.00 0.00 0.00 130 D 8.02 4.48 0.00 2.58 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 0.00 131 Q 9.24 4.92 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 132 L 9.27 5.35 0.00 1.71 1.76 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.92 5.12 0.00 3.94 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 0.00 134 A 8.26 4.67 0.01 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 0.00 135 E 9.32 4.87 0.00 1.88 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 2.24 2.23 0.00 136 V 8.46 5.30 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 1.59 0.00 0.00 1.02 0.00 0.00 137 N 8.46 4.51 0.00 2.90 2.96 0.00 0.00 6.70 7.67 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 0.00 138 L 7.78 4.80 0.00 1.84 1.84 1.02 1.09 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 0.00 139 P 0.00 4.57 0.00 2.35 2.32 0.00 3.80 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 140 K 7.88 3.83 0.00 1.67 1.76 0.00 1.01 0.00 0.00 1.32 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.84 0.21 7.81 141 Y 7.66 4.49 0.00 3.31 3.26 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 0.00 142 L 7.67 4.26 0.00 1.39 1.16 0.97 0.38 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 0.00 143 D 8.50 4.50 0.00 2.45 2.54 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 0.00 144 F 7.65 5.11 0.00 2.99 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 0.00 145 A 8.31 4.23 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 0.00 146 E 7.97 4.82 0.00 1.98 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 2.23 2.24 0.00 147 S 8.41 4.28 0.00 3.89 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 0.00 148 G 8.96 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 0.00 0.00 0.00 149 Q 8.14 4.43 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.73 0.00 150 V 7.84 4.77 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 1.14 0.00 0.00 1.07 0.00 0.00 151 Y 8.74 5.70 0.00 3.06 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.86 4.97 0.00 1.51 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 0.00 153 G 8.55 3.79 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 0.00 154 V 8.44 5.04 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 0.95 0.00 0.00 0.55 0.00 0.00 155 I 9.02 5.09 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.41 1.16 0.00 0.00 156 A 8.96 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.40 4.19 0.00 1.52 1.53 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.