NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4060 8.3344 115.4112 57.9410 64.3934 172.2304 10 D 4.2814 8.4293 119.7836 53.3434 41.5676 174.9444 11 K 4.0548 9.3382 127.3691 55.7521 33.5402 174.6078 12 P 4.8005 0.0000 0.0000 63.0892 32.4297 175.7157 13 V 5.0403 8.3041 121.7259 60.6848 35.0514 173.1095 14 A 4.8658 8.9324 123.3984 51.2496 23.2135 175.2258 15 H 4.7835 9.4449 122.3671 55.2706 32.4717 172.4523 16 V 4.8528 8.7728 119.6132 59.6845 34.5547 175.5631 17 V 5.3922 8.5671 115.1526 59.3198 35.4878 175.2234 18 A 4.1629 8.5041 124.5650 51.7615 19.2849 177.0915 19 N 4.4197 8.5130 121.0456 53.4303 39.2845 175.6841 20 H 4.4728 8.8138 122.2595 57.5541 29.1803 176.0727 21 Q 4.1268 7.9756 118.1044 56.6355 28.7676 176.4202 22 V 4.2577 6.9338 110.9902 58.8475 31.8790 174.9989 23 E 4.1488 8.3074 122.8367 57.2274 30.2817 178.0480 24 E 3.9454 8.9848 118.8443 56.9324 27.1610 174.0520 25 Q 4.4687 7.6678 116.1077 54.0864 32.7347 174.8295 26 L 4.0824 8.2333 122.2528 53.2674 42.0227 174.6200 27 E 4.5373 7.7428 126.9592 53.7254 31.8661 174.6739 28 W 5.0954 9.2124 128.3441 56.6333 30.1302 175.9902 29 L 5.0799 9.5002 124.0416 53.1123 44.4680 177.3469 30 S 4.5888 8.8713 114.4296 58.4817 65.4789 174.5302 31 Q 4.4533 7.8823 121.6949 55.3082 27.9189 174.8094 32 R 4.7111 7.2918 116.1830 53.7789 34.7819 175.3842 33 A 4.0389 8.4077 122.7128 53.6773 18.8331 177.3188 34 N 4.2947 8.9829 117.3890 54.0383 35.9331 173.8104 35 A 5.1364 7.6365 118.5266 50.2547 22.1134 176.5845 36 L 4.7661 8.7567 118.9835 53.4093 46.5848 176.1962 37 L 4.6214 8.3709 121.7017 54.8451 43.5744 173.1028 38 A 4.5898 9.0736 127.5393 49.9148 23.7904 174.8179 39 N 3.9186 10.0176 112.6813 54.8995 36.1486 175.9091 40 G 4.1012 8.4990 105.9413 45.4930 0.0000 174.8945 41 M 4.4129 7.6262 119.5386 55.4206 32.6881 175.4734 42 D 4.9217 8.8278 121.5727 52.2581 45.3346 174.2504 43 L 5.1166 8.5149 125.5909 53.2418 44.1281 175.4924 44 K 4.4704 8.7984 127.8769 55.7923 35.0728 175.8972 45 D 4.5305 9.6175 126.1765 55.7018 38.2998 173.4629 46 N 4.4673 8.5575 111.5150 54.3197 37.8672 172.7672 47 Q 5.0284 7.9757 114.5259 53.7461 33.0297 174.4333 48 L 4.6508 8.8509 122.9534 53.8350 43.3198 175.7112 49 V 4.6924 8.7095 125.1264 61.1823 33.5238 175.1524 50 V 4.2378 8.1051 121.6272 60.3238 32.4794 175.4155 51 P 4.4574 0.0000 0.0000 63.6509 32.0268 175.3285 52 A 4.6266 7.3237 119.6425 51.0770 22.3241 175.7531 53 D 4.7466 8.6803 119.8909 53.6615 41.5904 176.9916 54 G 4.0818 7.8229 110.5785 44.8334 0.0000 170.9091 55 L 5.0512 7.4687 119.1773 54.1698 43.3478 176.0585 56 Y 5.1693 9.0639 119.7159 56.3008 42.9080 173.8460 57 L 4.9139 9.2121 126.0041 54.3232 43.8790 175.3964 58 V 5.1078 9.3305 126.5253 61.3480 34.2513 173.7722 59 Y 5.3772 8.6119 124.7655 56.2813 41.9674 173.5472 60 S 4.7562 8.6035 113.0915 57.5550 66.5950 173.1975 61 Q 4.8957 8.4946 125.7432 54.4075 32.5315 174.2220 62 V 4.7026 8.5424 117.2593 59.3696 36.5079 174.1517 63 L 5.0469 8.0118 123.3260 53.4682 45.1668 175.1358 64 F 5.5424 9.4059 124.8378 55.9999 42.1790 174.5009 65 K 4.0916 9.1437 121.8092 55.0687 35.4377 175.1222 66 G 3.3692 5.9778 110.9848 45.0596 0.0000 171.5336 67 Q 4.5569 8.1155 120.5192 55.5441 31.3071 175.0135 68 G 4.0048 9.2350 114.9542 44.5200 0.0000 173.4788 69 C 4.4029 8.4034 116.3196 57.3299 37.7845 173.2008 70 P 4.2152 0.0000 0.0000 64.8757 31.5309 176.1682 71 D 4.8831 7.7340 117.2093 52.2858 44.6154 174.4055 72 Y 4.0819 8.3729 123.5371 56.7560 38.9752 174.8816 *74 V 4.0793 7.9356 119.3441 61.1017 32.7579 174.8855 75 L 4.4038 7.9281 122.4668 52.9765 43.4613 175.7262 76 L 4.5248 8.5743 125.5564 53.4566 43.5185 176.0796 77 T 5.2080 9.2092 113.5854 60.1536 72.6262 172.3201 78 H 5.5394 9.1132 122.3552 55.0271 33.4886 172.2184 79 T 5.0839 9.1187 121.4901 61.9763 73.4108 172.7489 80 V 4.5954 8.8806 126.1953 61.3382 33.6169 174.7641 81 S 5.1923 8.9152 123.5272 56.6580 67.0211 172.7546 82 R 4.9780 8.8305 121.9163 54.5343 32.6991 174.1369 83 F 5.0159 9.2682 128.1775 56.4682 41.7248 173.5241 84 A 4.9131 8.0346 127.4517 49.8283 21.7087 176.5492 85 I 4.2402 7.4015 121.9959 58.4716 35.9183 174.7258 86 S 4.6327 7.0376 117.5502 58.7544 66.6384 175.7857 87 Y 4.9594 7.3793 119.2880 55.5472 38.6940 176.0938 88 Q 3.5828 7.8794 131.0687 53.8804 28.4408 175.7397 89 E 4.8276 6.8452 115.8572 54.2491 32.9799 174.1556 90 K 4.5311 8.6840 125.1827 56.7697 33.0489 176.6982 91 V 4.4960 8.3831 116.8048 59.2553 35.4636 174.8480 92 N 4.5650 8.9032 122.7572 53.8139 38.3937 174.5683 93 L 4.3261 8.8625 124.0856 56.0295 43.4208 177.2257 94 L 4.8656 7.3655 116.6483 53.5087 46.2176 175.2669 95 S 5.0815 8.5564 114.5800 57.8088 65.4143 173.2812 96 A 4.8075 8.7873 125.4550 50.9045 22.9443 175.2510 97 V 5.0167 8.2576 117.9817 61.2514 35.0847 174.9146 98 K 4.7231 9.1181 124.8392 54.7022 36.9243 175.6600 99 S 4.7863 8.4729 118.2399 56.0043 63.7161 172.0022 100 P 3.9703 0.0000 0.0000 63.7862 31.5834 176.4877 101 C 4.8089 7.0860 115.0564 54.7245 42.7313 170.8138 102 P 4.9992 0.0000 0.0000 60.6192 33.1673 176.1921 103 K 3.8950 8.4028 118.1828 59.8429 31.9044 176.3764 104 D 4.7890 7.5640 113.9476 53.0259 42.4439 175.1997 105 T 4.2353 8.1133 109.0174 60.6661 68.6718 172.4976 106 P 4.1096 0.0000 0.0000 65.4046 31.7895 175.4774 107 E 4.6034 7.4519 117.6269 55.0152 33.8767 174.9489 108 G 3.7889 9.6123 115.6006 45.5238 0.0000 174.8408 109 A 4.7551 8.8159 117.2529 51.8561 22.3654 177.5643 110 E 4.3213 8.4600 121.4420 56.7794 30.4585 177.3562 111 L 4.8247 8.1196 115.3929 54.1106 44.4804 176.4838 112 K 4.6248 7.9053 118.8935 54.4775 33.2958 174.8787 113 P 4.5760 0.0000 0.0000 62.5283 32.3344 175.5527 114 W 5.0918 8.2642 119.7087 55.3426 31.1290 174.3928 115 Y 5.2910 8.7771 117.4958 56.6377 41.5934 174.8661 116 E 4.8963 9.9777 123.3360 54.6174 33.6685 172.8472 117 P 5.3649 0.0000 0.0000 61.7691 33.8584 175.1693 118 I 4.8245 8.7005 121.0750 59.9289 41.3548 173.5426 119 Y 5.0851 8.9120 127.2806 55.7841 41.3267 174.5546 120 L 4.9279 7.8954 125.2436 53.0692 46.1705 175.7811 121 G 4.4230 8.4471 105.2494 45.8971 0.0000 172.6209 122 G 4.1803 8.8690 110.0646 45.7944 0.0000 171.9646 123 V 4.9302 8.0174 120.0641 61.2754 33.0551 175.0176 124 F 4.8950 9.1945 125.3594 55.7422 43.6961 173.3692 125 Q 4.8441 8.9225 123.6607 55.5808 29.8148 174.6604 126 L 5.0731 9.4575 125.8078 53.1132 46.4126 175.0760 127 E 5.2401 9.5339 119.4581 53.9973 32.6767 175.9565 128 K 3.8784 9.2378 123.3893 58.6635 32.4650 177.2547 129 G 4.0114 9.0158 114.7870 45.1519 0.0000 173.4346 130 D 4.6278 8.1015 120.6960 54.8083 42.1279 175.3269 131 Q 5.0677 9.2818 122.2192 54.2396 31.3383 174.3958 132 L 5.2971 9.0707 124.6661 52.9992 44.2061 175.6505 133 S 5.1687 8.8856 117.7865 56.3636 66.3402 172.9987 134 A 4.6532 8.2739 123.1140 50.2743 20.6205 174.9641 135 E 4.8544 9.1573 120.4517 55.5147 34.5850 175.1968 136 V 5.5149 8.4808 113.4495 58.6881 34.6447 175.8462 137 N 4.4575 8.4345 121.0685 55.1398 38.3071 175.4927 138 L 4.7848 7.8096 119.3573 51.5503 42.1917 174.8793 139 P 4.5386 0.0000 0.0000 64.3549 31.8477 179.5934 140 K 3.8379 7.8563 117.7969 59.4396 32.6854 177.0570 141 Y 4.4987 7.6773 115.7227 57.7559 38.3561 175.4572 142 L 4.2736 7.6079 121.0732 54.5418 42.1664 175.9049 143 D 4.5135 8.3812 122.1069 52.6349 42.9292 175.6446 144 F 5.1037 8.1152 123.6743 57.2563 39.7917 177.0546 145 A 4.1198 8.0581 126.0508 54.7487 18.2707 178.4118 146 E 4.8256 7.5837 112.5884 54.3973 33.6793 175.6628 147 S 4.2627 8.4721 116.9039 59.9985 63.4174 175.1430 148 G 4.1280 8.9535 110.5510 46.1505 0.0000 174.3776 149 Q 4.3811 8.1769 118.6407 57.0983 29.8335 176.0994 150 V 4.8016 7.8527 117.7096 61.2625 34.6495 174.0956 151 Y 5.7058 8.7602 124.7612 56.5419 42.2932 173.4330 152 F 4.9822 8.7905 121.7391 56.9937 42.8852 173.2158 153 G 3.7287 8.6600 112.3350 43.3268 0.0000 171.4819 154 V 4.9428 8.3725 120.5480 61.2647 35.3575 173.4845 155 I 5.1503 9.2803 127.8018 58.9509 41.3558 174.0771 156 A 4.0186 9.0214 132.1176 51.9728 18.9679 177.3086 157 L 4.2259 8.2190 121.4657 54.8189 41.4893 176.7810 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 4.41 0.00 3.99 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 10 D 8.43 4.28 0.00 2.72 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 11 K 9.34 4.05 0.00 1.79 1.75 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 P 0.00 4.80 0.00 2.26 2.08 0.00 3.59 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 13 V 8.30 5.04 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 0.82 0.00 0.00 0.97 0.00 0.00 14 A 8.93 4.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.44 4.78 0.00 3.27 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.77 4.85 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 0.61 0.00 0.00 0.51 0.00 0.00 17 V 8.57 5.39 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 0.86 0.00 0.00 1.02 0.00 0.00 18 A 8.50 4.16 0.57 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 19 N 8.51 4.42 0.00 2.70 2.47 0.00 0.00 6.95 8.67 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 20 H 8.81 4.47 0.00 3.43 3.43 0.00 5.57 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.98 4.13 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.22 1.91 0.00 22 V 6.93 4.26 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 0.67 0.00 0.00 0.87 0.00 0.00 23 E 8.31 4.15 0.00 2.11 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 2.36 2.31 0.00 24 E 8.98 3.95 0.00 2.10 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 2.21 2.22 0.00 25 Q 7.67 4.47 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 26 L 8.23 4.08 0.00 1.39 1.34 -0.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.74 4.54 0.00 1.91 1.58 0.00 0.00 0.00 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 2.23 0.00 28 W 9.21 5.10 0.00 3.25 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 29 L 9.50 5.08 0.00 1.64 1.54 0.89 0.56 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 8.87 4.59 0.00 3.93 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 31 Q 7.88 4.45 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 32 R 7.29 4.71 0.00 1.82 1.79 0.00 3.33 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 33 A 8.41 4.04 1.25 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 0.00 0.00 34 N 8.98 4.29 0.00 2.91 2.95 0.00 0.00 6.73 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 7.64 5.14 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 36 L 8.76 4.77 0.00 1.63 1.51 0.94 0.41 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 8.37 4.62 0.00 1.55 1.52 0.84 0.92 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 38 A 9.07 4.59 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 39 N 10.02 3.92 0.00 2.96 3.03 0.00 0.00 7.11 7.65 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 40 G 8.50 4.10 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 0.00 0.00 0.00 41 M 7.63 4.41 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 42 D 8.83 4.92 0.00 2.75 2.42 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 0.00 0.00 0.00 0.00 43 L 8.51 5.12 0.00 1.59 1.53 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.80 4.47 0.00 1.75 1.58 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.39 7.81 45 D 9.62 4.53 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 8.56 4.47 0.00 2.87 2.98 0.00 0.00 7.03 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 7.98 5.03 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.26 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 48 L 8.85 4.65 0.00 1.12 1.22 -0.49 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.71 4.69 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 1.04 0.00 0.00 0.92 0.00 0.00 50 V 8.11 4.24 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 -0.16 0.00 0.00 0.81 0.00 0.00 51 P 0.00 4.46 0.00 2.21 2.40 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 52 A 7.32 4.63 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 53 D 8.68 4.75 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 7.82 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 55 L 7.47 5.05 0.00 1.53 1.56 0.90 0.74 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 56 Y 9.06 5.17 0.00 2.97 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 57 L 9.21 4.91 0.00 1.86 1.71 1.07 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.33 5.11 2.34 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 1.10 0.00 0.00 1.11 0.00 0.00 59 Y 8.61 5.38 0.00 3.16 3.14 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 60 S 8.60 4.76 0.00 3.61 3.47 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 0.00 0.00 0.00 0.00 61 Q 8.49 4.90 0.00 1.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 62 V 8.54 4.70 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 0.29 0.00 0.00 0.41 0.00 0.00 63 L 8.01 5.05 0.00 1.75 1.47 1.09 1.00 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 64 F 9.41 5.54 0.00 3.36 3.11 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 65 K 9.14 4.09 0.00 1.12 1.19 0.00 1.68 0.00 0.00 1.40 0.00 0.00 2.63 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.52 0.21 7.81 66 G 5.98 3.37 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 0.00 67 Q 8.12 4.56 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.61 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 68 G 9.23 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 C 8.40 4.40 0.00 3.30 3.14 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 70 P 0.00 4.22 0.00 2.22 2.23 0.00 3.82 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 2.07 2.05 0.00 71 D 7.73 4.88 0.00 2.67 2.60 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 72 Y 8.37 4.08 0.00 3.08 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 *74 V 7.94 4.08 1.73 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 1.02 0.00 0.00 0.31 0.00 0.00 75 L 7.93 4.40 0.00 1.35 1.44 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.57 4.52 0.00 1.06 0.46 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.21 5.21 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 1.18 0.00 0.00 78 H 9.11 5.54 0.00 3.35 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.12 5.08 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 1.22 0.00 0.00 80 V 8.88 4.60 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 0.89 0.00 0.00 0.64 0.00 0.00 81 S 8.92 5.19 0.00 3.73 3.75 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 82 R 8.83 4.98 0.00 1.72 1.70 0.00 3.01 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 83 F 9.27 5.02 0.00 3.05 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 84 A 8.03 4.91 1.24 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 0.00 0.00 0.00 85 I 7.40 4.24 1.85 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 1.30 0.61 0.91 0.00 0.00 86 S 7.04 4.63 0.00 3.75 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 87 Y 7.38 4.96 0.00 2.75 2.64 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 88 Q 7.88 3.58 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.43 0.00 0.00 0.00 0.00 0.00 2.44 2.70 0.00 89 E 6.85 4.83 0.00 1.76 1.13 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 2.12 2.22 0.00 90 K 8.68 4.53 0.00 1.68 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.54 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.49 1.48 7.81 91 V 8.38 4.50 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 0.80 0.00 0.00 0.96 0.00 0.00 92 N 8.90 4.57 0.00 2.59 2.75 0.00 0.00 6.98 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 8.86 4.33 0.00 1.18 0.53 0.31 0.51 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 94 L 7.37 4.87 0.00 1.49 1.51 1.10 1.07 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 95 S 8.56 5.08 0.00 3.82 3.68 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 0.00 0.00 0.00 0.00 96 A 8.79 4.81 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 97 V 8.26 5.02 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 0.82 0.00 0.00 0.93 0.00 0.00 98 K 9.12 4.72 0.00 1.60 1.49 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.43 7.81 99 S 8.47 4.79 0.00 3.66 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 0.00 100 P 0.00 3.97 0.00 0.49 1.01 0.00 3.29 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.63 0.00 101 C 7.09 4.81 0.00 2.62 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 0.00 102 P 0.00 5.00 0.00 2.19 2.16 0.00 3.69 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 2.13 1.95 0.00 103 K 8.40 3.89 0.00 1.71 1.93 0.00 1.69 0.00 0.00 1.44 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.23 1.29 7.81 104 D 7.56 4.79 0.00 2.85 2.62 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 0.00 0.00 0.00 0.00 105 T 8.11 4.24 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 1.31 0.00 0.00 106 P 0.00 4.11 0.00 2.06 2.13 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 107 E 7.45 4.60 0.00 1.87 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 2.18 2.27 0.00 108 G 9.61 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 0.00 109 A 8.82 4.76 1.22 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 0.00 0.00 0.00 110 E 8.46 4.32 0.00 2.20 2.13 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 2.49 2.39 0.00 111 L 8.12 4.82 0.00 1.60 1.66 0.93 0.93 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 0.00 112 K 7.91 4.62 0.00 1.69 1.79 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.41 7.81 113 P 0.00 4.58 0.00 1.81 1.87 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 114 W 8.26 5.09 0.00 3.41 3.22 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 0.00 115 Y 8.78 5.29 0.00 2.89 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 0.00 116 E 9.98 4.90 0.00 2.15 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 2.47 2.31 0.00 117 P 0.00 5.36 0.00 2.17 2.14 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 118 I 8.70 4.82 1.99 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 1.06 0.00 0.00 119 Y 8.91 5.09 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 7.90 4.93 0.00 1.40 1.43 0.62 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.45 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.87 4.18 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 0.00 0.00 0.00 123 V 8.02 4.93 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 0.84 0.00 0.00 0.93 0.00 0.00 124 F 9.19 4.90 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 8.92 4.84 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 126 L 9.46 5.07 0.00 1.64 1.64 0.74 0.63 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 0.00 127 E 9.53 5.24 0.00 1.86 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 2.26 2.26 0.00 128 K 9.24 3.88 0.00 1.69 1.78 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.64 7.81 129 G 9.02 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 0.00 0.00 0.00 130 D 8.10 4.63 0.00 2.62 2.57 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 0.00 131 Q 9.28 5.07 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 132 L 9.07 5.30 0.00 1.66 1.71 0.75 0.48 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 0.00 133 S 8.89 5.17 0.00 3.87 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 0.00 134 A 8.27 4.65 -0.20 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 0.00 135 E 9.16 4.85 0.00 1.84 1.79 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 2.22 2.41 0.00 136 V 8.48 5.51 2.51 0.00 0.00 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 1.04 0.00 0.00 137 N 8.43 4.46 0.00 2.91 2.96 0.00 0.00 6.71 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 7.81 4.78 0.00 1.85 1.86 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.54 0.00 2.37 2.31 0.00 3.78 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 140 K 7.86 3.84 0.00 1.63 1.75 0.00 0.96 0.00 0.00 1.31 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.86 0.21 7.81 141 Y 7.68 4.50 0.00 3.35 3.28 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 0.00 142 L 7.61 4.27 0.00 1.37 1.04 0.95 0.50 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 0.00 143 D 8.38 4.51 0.00 2.45 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 5.10 0.00 3.14 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 0.00 145 A 8.06 4.12 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.58 4.83 0.00 2.24 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 147 S 8.47 4.26 0.00 3.89 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 0.00 148 G 8.95 4.13 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 0.00 0.00 0.00 149 Q 8.18 4.38 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 150 V 7.85 4.80 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 1.11 0.00 0.00 1.14 0.00 0.00 151 Y 8.76 5.71 0.00 3.12 3.16 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 0.00 152 F 8.79 4.98 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 8.66 3.73 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 0.00 0.00 0.00 154 V 8.37 4.94 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 0.88 0.00 0.00 0.52 0.00 0.00 155 I 9.28 5.15 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 1.21 1.69 1.03 0.00 0.00 156 A 9.02 4.02 1.08 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 0.00 157 L 8.22 4.23 0.00 1.45 1.54 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.