NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 5.2941 8.0448 121.0960 58.1553 38.8443 174.0998 5 T 4.4048 8.4542 123.5033 60.9675 70.9260 169.5827 6 V 3.9611 7.7765 117.1640 60.4323 33.3358 177.2556 7 K 4.4430 8.2358 119.5297 57.4089 30.1958 176.3338 8 F 4.6686 8.6619 128.3990 61.2786 40.2755 177.0943 9 Q 3.3160 7.8852 117.5264 56.1874 26.3634 171.9947 10 P 4.4267 0.0000 0.0000 62.1048 33.0728 174.1519 11 D 4.9999 8.4125 116.7327 51.8705 43.5344 174.6431 12 P 3.4597 0.0000 0.0000 62.6200 31.8203 176.0972 13 I 3.6769 8.0389 124.5601 61.6255 37.8370 175.4252 14 D 4.1818 8.5630 126.2772 53.3838 41.5321 176.2963 15 K 2.4800 7.6008 128.2741 56.3683 32.6453 179.2513 16 K 3.8187 7.4380 122.6564 59.9543 32.4297 177.6907 17 G 3.8956 8.0739 105.0837 46.3417 0.0000 173.4597 18 W 5.1910 7.9648 119.3777 55.9015 29.8672 175.7661 19 S 4.8920 8.3421 112.4207 57.8839 63.8374 176.3720 20 V 3.8146 8.8260 126.0482 63.5302 30.4820 175.0784 21 I 4.2138 8.3466 127.6487 61.8928 38.6329 174.9759 22 D 4.5191 7.9190 118.0013 54.3918 44.2905 174.1803 23 F 4.7498 8.0122 118.6935 56.7843 40.6179 173.1509 24 N 4.6849 7.7499 113.1627 52.0067 38.2826 173.9506 25 N 4.6543 7.8422 116.9729 53.0436 41.4621 172.5612 26 C 4.7859 8.2460 124.2489 58.3741 34.3089 173.8961 27 C 3.9106 8.3255 117.8330 60.2310 29.5287 176.0216 28 T 3.9593 7.6207 109.6806 63.8384 68.7043 174.9722 29 Q 4.1768 8.2217 122.9846 59.1982 29.6645 176.5213 30 D 4.8731 7.6153 121.7131 54.1409 41.3865 175.6621 31 G 4.1280 8.9281 111.1078 46.3461 0.0000 174.4222 32 G 3.7758 8.8399 108.8152 46.1883 0.0000 175.8760 33 W 4.3322 8.1892 118.7537 59.5502 27.9415 177.7926 34 Y 3.2562 6.7498 117.4073 60.0537 37.2166 177.2183 35 L 4.0507 7.4299 120.9005 57.9186 43.4031 178.2838 36 N 4.4751 7.2146 115.4157 52.9158 37.0816 176.1854 *38 G 3.7021 7.4634 104.9553 45.9915 0.0000 172.0363 39 W 5.0633 7.6196 114.6922 56.0342 31.0610 176.5750 40 G 4.3712 7.6727 108.4269 44.2330 0.0000 175.2919 41 V 3.6198 8.3481 112.0951 64.3320 31.2246 178.8522 42 E 4.0700 8.2554 116.9455 58.9990 29.3420 177.9776 43 S 4.5452 7.9992 112.8171 58.5148 62.1178 173.8376 44 L 4.4319 7.9938 122.2551 54.8119 43.4555 176.3533 45 I 4.8407 7.1990 110.4601 60.5810 37.3840 175.1234 46 D 4.7959 7.9348 113.8452 54.1540 40.0973 176.9090 47 N 4.7787 8.5089 121.5969 53.8294 37.7558 174.4753 48 N 5.1035 7.5165 111.9359 50.3493 39.8124 173.1213 49 P 4.5070 0.0000 0.0000 63.2372 31.7585 178.6772 50 G 3.6244 7.6641 108.2739 47.8112 0.0000 174.4025 51 T 4.5717 7.6346 108.8436 59.9870 70.6009 173.2806 52 Q 4.9654 8.4048 120.4113 54.2679 32.4127 173.5675 53 W 5.1224 8.8798 127.6333 55.5583 34.1478 173.8713 54 L 4.1600 7.5202 128.0793 52.5551 44.5016 175.8884 55 C 4.1168 6.9567 120.5224 57.0899 31.0384 173.0111 56 R 3.9310 8.3958 119.4374 55.7117 29.3726 175.7165 57 W 4.2865 8.3781 133.8825 58.4847 32.2046 177.4973 58 D 4.6430 8.1844 117.0364 56.3719 40.5546 176.3224 59 V 4.1369 7.1137 114.7604 60.6568 33.3120 174.7212 60 K 3.9067 8.5736 127.6660 56.6443 31.6580 176.6629 61 E 4.4025 8.5026 124.3892 54.5739 30.5373 175.1717 62 P 4.3712 0.0000 0.0000 62.1905 32.1822 176.2639 63 L 3.6081 7.9869 120.7662 54.1101 42.2137 174.6608 64 P 4.6304 0.0000 0.0000 62.3224 33.2034 174.5555 65 Y 5.2533 8.1407 118.6211 56.6835 40.2442 174.5287 66 Y 5.1136 8.2043 120.5446 55.4722 42.4093 173.9373 67 F 4.8429 9.1299 117.3660 55.9780 44.2372 174.2672 68 V 4.6976 8.8729 122.0214 61.1032 33.4952 174.0084 69 F 4.9257 8.7409 127.2791 57.1446 40.5375 175.1035 70 D 4.9255 8.6590 122.8733 52.8997 43.8853 176.7193 *72 G 3.8564 8.6936 107.3596 44.7378 0.0000 172.9039 73 K 4.7146 7.6645 118.5315 54.1783 35.6566 174.1503 74 E 4.7013 8.2010 116.8617 56.2855 31.6471 175.2453 75 Y 4.9242 9.0812 119.3628 57.3987 43.5530 174.3515 76 T 4.9716 8.8056 116.5764 61.0704 69.7534 172.7185 77 L 4.6992 8.5369 125.3680 55.0051 42.5506 177.3747 78 F 5.0490 8.9101 121.5969 59.0335 41.4873 175.6135 79 R 5.2029 8.1134 115.1017 55.0256 34.7390 173.6731 80 F 5.2917 8.5533 119.7274 57.9517 43.0647 172.8731 81 G 4.0365 7.4342 110.6689 46.2802 0.0000 171.2355 82 F 4.8560 7.6365 114.1055 55.5067 42.3133 173.4431 83 A 4.9568 9.2007 120.0130 49.7104 21.6604 175.8403 84 N 4.6772 8.4077 120.1441 53.3243 39.6105 173.5827 85 P 4.6174 0.0000 0.0000 63.1733 32.3566 176.3932 86 V 4.5936 8.3058 120.0908 59.7808 34.9228 174.1943 87 A 4.1882 8.8510 126.2290 51.9107 18.8566 175.4528 88 P 4.6083 0.0000 0.0000 62.8155 32.1281 176.6201 89 A 4.1112 7.7986 122.4980 53.1871 18.7110 179.3233 90 A 4.3411 8.7283 125.3460 54.3069 19.3104 177.4333 91 H 4.6089 7.5595 111.6289 54.3147 29.4634 174.7736 92 V 3.6945 7.5808 115.2558 63.4991 32.3633 178.9867 93 W 4.4210 7.9573 115.2252 58.2732 28.6238 177.0061 94 A 3.5325 6.7442 122.5255 53.6478 18.2369 177.1660 95 G 4.4883 7.6005 104.2923 46.0553 0.0000 173.1751 96 T 5.0026 8.2100 115.5178 61.0572 70.7087 173.7134 97 S 4.5180 8.6584 117.9623 60.2407 62.9057 173.7324 98 K 4.7590 9.4374 125.0476 57.5412 34.8373 175.3739 99 A 4.4005 7.2391 118.8877 50.0341 22.7019 176.7063 100 G 3.6123 5.7155 104.8126 45.9022 0.0000 170.4641 101 Y 5.1569 6.9841 116.6885 56.0855 42.2951 173.9926 102 V 4.8976 8.7407 118.1688 60.2778 34.9456 175.1477 103 E 5.2847 9.3407 124.0830 55.1139 32.9496 174.2637 104 A 5.3570 8.8362 119.9528 51.3718 23.0131 175.4888 105 S 4.6913 8.9709 114.6186 56.9105 66.1569 174.0602 106 I 4.4175 8.2518 120.5293 60.6510 39.6022 175.2789 107 D 4.7379 7.2381 116.3601 52.6245 40.5724 175.2830 108 N 3.4941 8.0862 116.0091 54.4136 38.0190 173.7771 109 E 4.4944 7.7673 113.6526 57.0360 31.7655 175.8967 110 N 4.9844 8.5172 115.4237 51.3153 39.9411 174.6951 111 W 5.1645 8.8978 122.9350 54.8167 33.1947 175.3389 112 V 4.6068 8.8899 120.8582 59.8151 34.1251 175.0712 113 K 4.3985 9.0071 124.3056 57.1283 32.2659 176.0309 114 L 4.6541 8.5445 123.1231 56.0326 43.3791 176.2538 115 K 4.4876 7.7314 117.0094 56.0525 36.1056 173.6431 116 D 5.4265 8.9034 121.7795 50.6758 41.7759 176.0647 117 W 4.8499 8.6344 121.2736 56.7110 30.4410 175.4662 118 T 5.0246 8.6350 109.3935 61.0998 70.6718 172.7480 119 S 5.0231 9.0888 122.3873 56.4983 63.0948 172.5664 120 P 4.6301 0.0000 0.0000 65.0766 31.6789 175.8586 121 K 4.0224 7.5706 115.5760 54.8959 35.3085 175.3309 122 I 3.6940 7.7092 120.3921 62.5225 37.9011 176.5182 123 G 4.0042 9.1019 112.2475 46.5339 0.0000 173.6467 124 E 4.2016 8.9288 119.2901 54.9110 29.8645 174.2775 125 P 3.9762 0.0000 0.0000 65.3461 32.2605 174.7514 126 N 5.1269 7.6177 116.7921 51.8690 43.5648 174.5346 127 V 4.0226 8.3514 120.6945 61.9536 33.9707 173.5274 128 N 5.7535 8.1425 126.0297 50.5240 42.2285 173.3505 *130 D 4.4073 8.3829 117.9386 54.8843 42.4355 174.9105 131 V 4.6980 8.4132 124.2344 60.2564 33.2147 173.6060 132 P 4.2700 0.0000 0.0000 63.1428 31.8315 174.3063 133 A 4.4176 8.9691 127.2896 52.2915 18.7448 176.1527 134 T 4.7375 8.5555 113.8344 61.1458 71.4157 172.8248 135 Q 4.8906 8.8233 126.4575 55.7398 29.7675 175.0716 136 A 4.6856 9.3262 124.3794 51.2515 22.7610 176.1285 137 R 4.3230 8.8696 118.9546 56.4123 32.4739 175.6149 138 Y 5.1060 7.6936 115.1715 56.2588 41.1171 174.9556 139 I 5.2220 8.9312 122.7221 59.6737 41.6333 174.9182 140 R 5.4524 8.7380 123.7585 53.7274 32.7216 173.6180 141 F 5.1869 8.8577 129.1906 57.1754 41.9181 174.6263 142 V 4.4905 7.5024 124.1585 61.3623 35.1143 173.5850 143 I 4.6798 8.9271 129.8164 60.6318 38.3047 176.3310 144 T 4.2644 8.7844 117.2985 62.0905 71.4790 173.8585 145 D 4.9730 7.7032 119.8101 52.4646 45.0523 174.3663 146 T 5.1737 8.1778 119.5968 61.7404 72.1167 173.2520 147 Y 4.3342 9.2468 124.0669 56.9037 38.4573 174.3812 148 P 4.4384 0.0000 0.0000 63.2697 31.8686 175.0417 149 T 4.8737 7.8519 114.3910 61.4437 72.0500 174.7973 150 Y 4.2953 8.4681 119.6368 59.3705 38.2292 176.0029 151 D 4.7320 6.3078 120.7716 53.4645 42.0147 176.6554 152 G 3.7408 7.8433 109.2905 44.9532 0.0000 172.3063 153 L 4.1998 8.3830 121.0921 55.5995 40.8576 177.2117 154 R 4.4394 7.7965 123.3033 54.1129 33.9339 175.7186 155 V 5.3936 7.7479 116.9532 61.9570 34.6176 172.2352 156 S 4.8748 8.4910 118.2624 56.3276 66.8434 172.2310 157 L 4.9259 9.2302 123.8539 53.6904 44.3717 176.8879 158 G 4.0654 8.9575 113.8595 47.0274 0.0000 172.8460 159 E 5.0685 7.5145 119.5593 55.2734 33.2373 173.8387 160 V 4.0016 7.6042 122.6765 59.8049 33.4153 174.5223 161 Y 4.4544 7.8482 122.7111 56.2056 40.9630 174.7701 162 A 4.9417 7.5457 122.2372 50.7240 22.8298 175.5531 163 W 4.9256 10.4216 122.6893 54.4200 32.1233 175.8096 164 G 3.5843 8.3134 112.3843 44.3937 0.0000 171.8328 165 L 4.5261 6.7764 122.8134 54.3271 43.7648 175.0219 166 E 4.0957 8.5718 125.9820 54.9367 30.3802 175.6077 167 H 4.4412 8.1306 124.1714 55.5505 29.8532 174.7494 168 H 3.8956 8.7864 118.7074 57.0271 29.9402 174.4597 169 H 4.0311 8.8035 123.9497 57.7485 28.8640 174.7130 170 H 4.2041 7.6129 121.8516 56.5300 30.6896 173.7762 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 4 Y 8.04 5.29 0.00 3.00 2.87 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 5 T 8.45 4.40 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 1.13 0.00 0.00 6 V 7.78 3.96 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 0.68 0.00 0.00 0.89 0.00 0.00 7 K 8.24 4.44 0.00 1.98 1.89 0.00 1.08 0.00 0.00 0.61 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 8 F 8.66 4.67 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 3.32 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.57 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 10 P 0.00 4.43 0.00 2.10 1.01 0.00 3.32 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.78 0.00 11 D 8.41 5.00 0.00 2.57 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 12 P 0.00 3.46 0.00 1.42 1.01 0.00 3.54 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.66 0.00 13 I 8.04 3.68 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.47 0.78 0.00 0.00 14 D 8.56 4.18 0.00 2.59 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 15 K 7.60 2.48 0.00 0.79 0.74 0.00 1.24 0.00 0.00 1.16 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.89 1.06 7.81 16 K 7.44 3.82 0.00 1.98 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.42 7.81 17 G 8.07 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 18 W 7.96 5.19 0.00 3.39 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 19 S 8.34 4.89 0.00 4.11 4.09 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 20 V 8.83 3.81 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 0.98 0.00 0.00 1.19 0.00 0.00 21 I 8.35 4.21 2.02 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 1.16 1.03 1.15 0.00 0.00 22 D 7.92 4.52 0.00 2.78 2.47 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 23 F 8.01 4.75 0.00 2.57 2.89 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 24 N 7.75 4.68 0.00 2.70 2.42 0.00 0.00 5.72 8.04 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 25 N 7.84 4.65 0.00 2.39 2.10 0.00 0.00 6.78 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 26 C 8.25 4.79 0.00 2.84 2.68 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 27 C 8.33 3.91 0.00 2.12 2.89 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 28 T 7.62 3.96 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 29 Q 8.22 4.18 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 30 D 7.62 4.87 0.00 2.93 2.74 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 31 G 8.93 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 32 G 8.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 8.19 4.33 0.00 3.44 3.24 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 34 Y 6.75 3.26 0.00 2.77 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 35 L 7.43 4.05 0.00 1.57 2.03 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.21 4.48 0.00 2.86 2.74 0.00 0.00 7.05 7.53 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 *38 G 7.46 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 39 W 7.62 5.06 0.00 3.20 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 40 G 7.67 4.37 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 41 V 8.35 3.62 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 -0.08 0.00 0.00 0.79 0.00 0.00 42 E 8.26 4.07 0.00 2.15 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 0.00 2.39 2.28 0.00 43 S 8.00 4.55 0.00 3.89 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 44 L 7.99 4.43 0.00 1.89 1.47 0.83 -0.15 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 45 I 7.20 4.84 1.72 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.85 0.00 0.00 46 D 7.93 4.80 0.00 2.77 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 47 N 8.51 4.78 0.00 2.82 2.99 0.00 0.00 6.91 8.00 0.00 0.00 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 N 7.52 5.10 0.00 2.85 2.84 0.00 0.00 6.97 7.64 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 49 P 0.00 4.51 0.00 2.22 2.12 0.00 3.61 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 2.18 2.16 0.00 50 G 7.66 3.62 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 0.00 0.00 0.00 51 T 7.63 4.57 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 1.26 0.00 0.00 52 Q 8.40 4.97 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.13 0.00 53 W 8.88 5.12 0.00 3.30 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 54 L 7.52 4.16 0.00 0.90 0.80 0.09 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 55 C 6.96 4.12 0.00 2.79 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 56 R 8.40 3.93 0.00 1.66 1.97 0.00 3.05 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 57 W 8.38 4.29 0.00 3.17 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 58 D 8.18 4.64 0.00 2.99 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 59 V 7.11 4.14 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 0.79 0.00 0.00 0.96 0.00 0.00 60 K 8.57 3.91 0.00 1.72 1.69 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.17 1.31 7.81 61 E 8.50 4.40 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 2.50 2.22 0.00 62 P 0.00 4.37 0.00 2.14 2.02 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 63 L 7.99 3.61 0.00 1.43 1.33 0.76 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 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0.00 90 A 8.73 4.34 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 0.00 0.00 91 H 7.56 4.61 0.00 2.90 2.51 0.00 5.81 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.58 3.69 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 1.07 0.00 0.00 1.05 0.00 0.00 93 W 7.96 4.42 0.00 3.71 3.34 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 94 A 6.74 3.53 0.65 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 0.00 0.00 95 G 7.60 4.49 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 0.00 0.00 0.00 96 T 8.21 5.00 4.72 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 1.42 0.00 0.00 97 S 8.66 4.52 0.00 3.99 4.15 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 98 K 9.44 4.76 0.00 1.10 1.53 0.00 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3.93 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 2.22 0.00 133 A 8.97 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.56 4.74 4.32 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 1.34 0.00 0.00 135 Q 8.82 4.89 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 136 A 9.33 4.69 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 0.00 137 R 8.87 4.32 0.00 1.68 1.60 0.00 2.97 0.00 0.00 2.81 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 138 Y 7.69 5.11 0.00 2.71 3.04 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 0.00 0.00 0.00 139 I 8.93 5.22 2.17 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.06 1.25 0.00 0.00 140 R 8.74 5.45 0.00 0.98 1.40 0.00 2.38 0.00 0.00 2.25 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.25 0.00 141 F 8.86 5.19 0.00 3.63 3.25 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 0.00 142 V 7.50 4.49 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 0.00 0.00 0.63 0.00 0.00 0.48 0.00 0.00 143 I 8.93 4.68 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 1.22 1.48 1.04 0.00 0.00 144 T 8.78 4.26 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 1.22 0.00 0.00 145 D 7.70 4.97 0.00 2.60 2.29 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 0.00 146 T 8.18 5.17 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 1.30 0.00 0.00 147 Y 9.25 4.33 0.00 2.95 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 0.00 148 P 0.00 4.44 0.00 2.23 2.10 0.00 3.97 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 2.12 2.08 0.00 149 T 7.85 4.87 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 1.33 0.00 0.00 150 Y 8.47 4.30 0.00 3.02 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 0.00 151 D 6.31 4.73 0.00 2.24 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 0.00 0.00 0.00 0.00 152 G 7.84 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 0.00 0.00 0.00 153 L 8.38 4.20 0.00 1.54 1.57 0.83 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 154 R 7.80 4.44 0.00 1.75 1.45 0.00 2.21 0.00 0.00 2.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 155 V 7.75 5.39 2.22 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 0.97 0.00 0.00 1.34 0.00 0.00 156 S 8.49 4.87 0.00 3.72 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 0.00 157 L 9.23 4.93 0.00 1.98 1.61 0.75 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.96 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 0.00 159 E 7.51 5.07 0.00 1.77 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 1.47 2.00 0.00 160 V 7.60 4.00 1.40 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 -0.10 0.00 0.00 0.18 0.00 0.00 161 Y 7.85 4.45 0.00 2.32 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 0.00 0.00 0.00 162 A 7.55 4.94 1.46 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 0.00 0.00 163 W 10.42 4.93 0.00 3.50 3.18 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 0.00 164 G 8.31 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 165 L 6.78 4.53 0.00 2.03 1.67 1.42 1.10 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 0.00 166 E 8.57 4.10 0.00 1.76 1.70 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 1.90 1.50 0.00 167 H 8.13 4.44 0.00 2.91 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 H 8.79 3.90 0.00 3.05 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 H 8.80 4.03 0.00 3.05 3.35 0.00 6.10 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 H 7.61 4.20 0.00 3.10 3.26 0.00 5.95 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.