NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3221 0.0000 0.0000 62.8105 33.9376 173.5057 2 H 5.5005 7.5599 115.9699 53.6086 32.4816 172.9668 3 F 5.5877 8.7706 124.0534 55.5842 43.4369 173.4162 4 L 4.2052 8.1553 123.7120 53.9792 43.6807 175.3052 5 I 4.7099 8.6196 127.8804 59.7881 39.1158 174.2342 6 L 5.2218 9.2607 130.7052 53.2833 44.4059 174.7521 7 N 5.4964 9.1844 123.7616 51.7911 42.2024 174.8615 8 G 4.4139 8.9662 113.6890 43.5193 0.0000 171.0511 9 P 5.0580 0.0000 0.0000 63.4952 31.9101 176.6484 10 N 4.3128 9.1531 116.3869 53.8712 37.1938 176.4966 11 V 3.6401 7.5520 118.5410 65.6149 31.7309 177.5483 12 N 4.4167 8.1052 115.8314 55.0296 35.8698 175.4747 13 R 4.3268 7.9787 117.8291 55.6102 30.7492 175.7235 14 L 3.9651 7.6627 121.9741 56.4036 41.7751 175.8532 15 G 4.1570 9.3186 118.9519 43.7546 0.0000 174.8082 16 S 3.6157 7.2977 114.7792 59.3743 63.7592 173.2781 *25 Q 4.1761 7.6273 120.3046 56.4649 29.7694 174.1869 26 T 5.2633 7.9678 113.2090 58.7885 72.6668 175.1612 27 L 3.8966 8.1738 121.8761 58.3559 42.0549 178.8175 28 T 3.6918 7.7673 115.3364 66.6093 68.4356 175.8653 29 D 4.3249 8.1668 120.8114 57.6737 40.8196 179.1667 30 I 3.6527 7.6532 120.0229 64.2832 36.9379 178.4065 31 E 3.2417 8.0574 119.6157 59.3255 29.0566 179.5127 32 T 3.7981 7.7810 115.7182 66.7074 68.4866 176.4123 33 D 4.3638 7.9596 120.7153 57.4871 40.8136 178.9560 34 L 4.1018 8.3302 122.0586 58.1893 41.6884 180.2243 *35 F 4.2285 8.5257 121.1346 62.1799 38.1102 180.6142 36 Q 4.2882 8.4266 119.2474 58.6621 28.2788 178.5828 37 F 4.2364 8.4402 120.8255 61.0273 39.7242 176.8006 38 A 4.1921 8.8007 120.9434 55.2339 18.1957 179.2990 39 E 3.8432 8.1038 116.3918 59.7375 29.5931 179.1960 40 A 4.1994 7.7662 117.6886 53.2759 18.5010 177.6581 41 L 4.1886 7.6141 114.8412 53.5669 43.0970 176.1138 42 H 4.1112 8.0361 113.8649 56.2673 27.3752 173.3578 43 I 4.8027 7.0701 112.0707 60.0513 41.6771 175.9822 44 Q 4.7290 9.6436 122.2321 54.1945 31.4823 174.8165 45 L 5.3254 8.3168 120.9206 53.2825 45.6640 175.9250 46 T 4.6755 8.5645 118.4725 61.7724 71.8996 172.9138 47 F 5.3060 8.8245 123.6251 55.9154 41.5460 174.9480 48 F 5.1014 9.0754 124.2347 56.9805 43.0410 172.7488 49 Q 5.2938 7.6745 125.5009 53.4969 32.0548 173.9178 50 S 4.4977 7.9357 117.0706 57.5847 65.7706 174.6712 51 N 4.5516 8.9460 121.7351 54.4359 39.3420 174.2820 52 H 4.8661 8.1073 117.6402 54.0854 30.2275 175.0910 53 E 4.0089 8.9140 127.0527 59.5268 29.5705 178.9764 54 G 3.7023 8.1603 105.0150 48.0129 0.0000 175.1417 55 D 4.5261 8.1590 120.6363 57.1547 40.8926 178.6910 56 L 4.1325 7.9355 119.0573 57.8156 41.6476 179.6115 57 I 3.6338 7.7181 119.6307 64.4285 37.0788 178.0649 58 D 4.3233 8.5891 119.7952 57.5131 40.8218 178.8943 59 A 3.9933 8.1628 121.0602 55.0902 18.0927 179.8250 60 I 3.7163 7.7506 117.5785 64.9310 37.3053 177.9502 61 H 4.4043 8.0054 115.6803 59.1070 28.3306 177.4261 62 E 4.1509 8.4932 119.5819 58.6079 29.2623 178.9126 63 A 4.2536 7.8623 121.0066 55.1495 17.8645 178.8340 64 E 3.9040 8.3481 117.3182 59.4232 29.2958 177.9664 65 E 4.4862 7.5384 114.1411 56.4219 29.9470 176.3444 66 Q 4.1316 8.2098 118.1942 55.2112 31.1112 173.8214 67 Y 4.9785 7.5675 113.1615 56.2701 41.3999 174.9617 68 S 4.7790 8.4686 114.2478 57.9965 64.0911 174.0795 69 G 4.2615 7.6565 106.2790 46.2696 0.0000 172.4492 70 I 5.1508 8.0950 121.1895 59.2467 41.4256 174.6006 71 V 4.6518 8.5576 126.6217 61.1193 33.5069 173.9661 72 L 5.0873 9.0389 130.4874 53.4026 44.9592 174.5382 73 N 5.1338 9.2887 125.2233 50.0367 39.6007 172.4777 74 P 4.4560 0.0000 0.0000 61.7787 33.0593 179.2976 75 G 3.6943 8.4345 108.5306 46.5506 0.0000 175.3068 76 A 4.2250 8.5477 119.6698 54.7796 18.4608 179.2943 77 L 3.2181 8.0799 117.4258 57.5930 41.3885 179.0698 78 S 3.9540 7.8809 113.3045 61.7376 61.9838 175.5484 79 H 4.7618 8.0391 114.9428 56.5713 28.8176 175.3701 80 Y 4.6252 7.2354 113.1091 56.0720 41.9817 175.9999 81 S 4.2090 7.6067 116.3919 57.5555 61.1487 173.4883 82 Y 4.2598 8.1350 125.7488 60.1823 37.8061 177.4745 83 A 4.1119 8.0366 121.7678 55.0386 18.4947 179.5078 84 I 3.7593 7.7413 118.2855 64.0523 37.1469 178.3557 85 R 3.8860 7.7492 119.3097 59.8589 29.9654 178.3755 86 D 4.4396 8.3753 118.1585 57.0798 40.5097 178.8073 87 A 4.0504 7.6631 120.4848 55.2170 18.6126 179.3752 88 V 3.7168 7.9707 116.8557 66.4952 31.3731 178.4767 89 S 4.2553 8.0543 113.6194 60.9984 62.7221 175.8909 90 S 4.4654 7.8824 115.1354 58.1132 63.4639 173.7824 91 I 4.8581 7.0924 115.3179 58.2676 39.9109 175.7492 92 S 4.4407 8.9557 115.8202 59.7416 63.6566 174.8811 93 L 4.3978 7.8564 121.1115 53.8748 42.4378 175.0674 94 P 4.5083 0.0000 0.0000 62.8894 32.7938 175.0825 95 V 4.9159 8.5029 122.9589 60.9883 34.8122 173.9737 96 V 4.7199 8.5505 126.6721 61.0269 34.5311 173.6283 97 E 4.8818 8.9137 129.1588 55.1696 30.9000 174.8517 98 V 4.7859 8.6758 126.3133 61.3965 35.1194 173.7825 99 H 4.8345 8.8263 123.7719 54.2342 32.4422 174.1855 100 L 3.9840 8.7097 123.7141 57.9162 42.2401 178.0198 101 S 4.5071 7.8397 111.3071 57.6315 64.1362 174.0409 102 N 4.4994 8.2431 120.0007 52.1228 37.4648 175.0041 103 L 3.7641 7.9634 124.9984 57.6161 41.9415 179.4833 104 Y 3.9280 6.9092 114.5251 60.0243 37.7534 176.7014 105 A 4.5482 7.8037 120.8669 51.9325 19.8558 176.8754 106 R 4.8267 7.5782 116.7874 54.4320 32.7264 175.7363 107 E 3.9796 8.3510 117.6348 57.2651 30.2840 177.6754 108 E 3.3671 8.6323 122.1919 59.0609 29.8292 178.9656 109 F 4.3517 7.8569 112.0232 58.8800 38.0626 175.8420 110 R 3.4754 6.8815 119.1072 56.8620 30.0180 176.6004 111 H 4.7316 7.9807 115.0002 56.1400 28.8843 175.0889 112 Q 4.6040 7.7827 118.2700 54.1747 31.0896 173.8559 113 S 4.9802 8.6650 116.4818 56.9739 63.5322 174.1514 114 V 3.9684 8.4001 120.8670 62.5901 32.2138 177.2759 115 I 4.0147 7.5802 120.4882 63.2300 38.0900 177.6573 116 A 4.0340 8.2671 123.5449 54.7355 18.2831 177.7381 117 P 4.3352 0.0000 0.0000 64.9907 31.4183 177.3180 118 V 4.1856 7.6062 108.1786 60.8330 32.4690 175.4073 119 A 4.6034 7.5300 123.0293 50.3877 20.4712 177.5857 120 K 4.0753 8.6360 119.3352 59.5369 32.6905 177.7151 121 G 3.9282 7.4385 103.6587 46.8050 0.0000 171.6375 122 Q 5.1025 8.5427 119.3611 54.9174 32.4387 174.6429 123 I 4.5077 8.6754 126.5312 59.5343 39.9299 174.6533 124 V 4.7092 8.5686 126.5725 62.3204 33.9697 175.8582 125 G 3.9441 9.0595 115.5816 45.5429 0.0000 173.7122 126 L 4.3392 7.7272 118.5018 53.9488 42.2197 178.6712 127 G 3.7974 8.1197 109.2189 45.7018 0.0000 174.5660 128 A 4.1934 8.5079 119.6950 55.1328 18.8587 179.6508 129 E 4.0247 8.4385 116.3004 59.3623 29.4234 178.7843 130 G 3.7409 8.0942 105.8228 48.3303 0.0000 175.0873 131 Y 4.1195 7.7812 118.1215 60.7865 37.8749 178.9760 132 K 3.6854 7.8821 118.8658 59.3359 32.2497 179.2305 133 L 4.1048 8.1770 119.2603 57.7495 41.5195 179.5920 134 A 3.9907 8.2176 120.7620 55.0924 18.3149 179.6483 135 V 3.3831 8.1009 117.1186 66.3696 31.4955 178.4592 136 R 4.0031 8.7933 117.9677 59.3372 29.6814 178.2879 137 Y 4.0053 7.7946 118.3039 60.6447 39.0574 177.8940 138 L 3.8332 7.8792 119.6580 57.6848 41.4480 179.2846 139 L 4.1363 7.8726 117.9078 58.1271 41.7942 179.7392 140 S 4.1882 8.3266 112.4437 61.0535 62.7265 174.7793 141 Q 4.1291 7.4933 125.9068 56.0785 28.6787 175.4045 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 P 0.00 4.32 0.00 1.75 2.18 0.00 3.55 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 1.59 1.92 0.00 2 H 7.56 5.50 0.00 3.13 3.12 0.00 5.59 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.77 5.59 0.00 3.01 2.79 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 4 L 8.16 4.21 0.00 0.91 1.26 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.62 4.71 1.66 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 0.56 0.38 0.99 0.00 0.00 6 L 9.26 5.22 0.00 1.67 1.55 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 N 9.18 5.50 0.00 2.64 2.67 0.00 0.00 6.39 7.14 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 8 G 8.97 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.06 0.00 2.08 2.12 0.00 4.29 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 10 N 9.15 4.31 0.00 2.93 2.94 0.00 0.00 6.70 7.68 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 11 V 7.55 3.64 2.17 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 1.09 0.00 0.00 1.04 0.00 0.00 12 N 8.11 4.42 0.00 2.83 3.05 0.00 0.00 6.00 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 13 R 7.98 4.33 0.00 1.94 1.97 0.00 3.29 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 14 L 7.66 3.97 0.00 1.91 1.56 0.94 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 G 9.32 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 16 S 7.30 3.62 0.00 4.13 4.38 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 *25 Q 7.63 4.18 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 26 T 7.97 5.26 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 1.19 0.00 0.00 27 L 8.17 3.90 0.00 1.72 1.63 0.78 0.73 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 28 T 7.77 3.69 4.17 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 1.14 0.00 0.00 29 D 8.17 4.32 0.00 2.78 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 30 I 7.65 3.65 1.80 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 1.49 0.72 0.71 0.00 0.00 31 E 8.06 3.24 0.00 1.70 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 0.00 0.00 0.00 1.47 2.09 0.00 32 T 7.78 3.80 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 1.19 0.00 0.00 33 D 7.96 4.36 0.00 2.77 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 34 L 8.33 4.10 0.00 2.05 2.05 0.85 1.20 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 *35 F 8.53 4.23 0.00 2.26 2.30 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 36 Q 8.43 4.29 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 37 F 8.44 4.24 0.00 3.00 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 38 A 8.80 4.19 1.55 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 0.00 0.00 0.00 39 E 8.10 3.84 0.00 2.43 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 2.33 2.14 0.00 40 A 7.77 4.20 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 41 L 7.61 4.19 0.00 1.49 1.46 0.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.04 4.11 0.00 3.26 3.43 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.07 4.80 1.88 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 1.48 0.75 0.89 0.00 0.00 44 Q 9.64 4.73 0.00 1.54 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 45 L 8.32 5.33 0.00 1.28 0.95 1.06 0.95 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 46 T 8.56 4.68 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 1.30 0.00 0.00 47 F 8.82 5.31 0.00 2.92 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 48 F 9.08 5.10 0.00 3.08 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 49 Q 7.67 5.29 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.44 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 50 S 7.94 4.50 0.00 3.56 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 51 N 8.95 4.55 0.00 2.76 2.78 0.00 0.00 6.97 8.16 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 52 H 8.11 4.87 0.00 3.37 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.91 4.01 0.00 1.99 1.96 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 2.37 2.33 0.00 54 G 8.16 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 55 D 8.16 4.53 0.00 3.01 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 56 L 7.94 4.13 0.00 1.73 1.76 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.72 3.63 1.96 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 1.50 1.08 0.75 0.00 0.00 58 D 8.59 4.32 0.00 2.76 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 59 A 8.16 3.99 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 60 I 7.75 3.72 2.00 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 1.55 0.72 0.99 0.00 0.00 61 H 8.01 4.40 0.00 3.27 3.36 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.49 4.15 0.00 2.03 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 2.31 2.33 0.00 63 A 7.86 4.25 1.59 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 0.00 0.00 64 E 8.35 3.90 0.00 2.12 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 2.39 2.50 0.00 65 E 7.54 4.49 0.00 1.93 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 2.27 0.00 66 Q 8.21 4.13 0.00 1.55 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.70 0.00 0.00 0.00 0.00 0.00 1.16 1.69 0.00 67 Y 7.57 4.98 0.00 2.99 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 68 S 8.47 4.78 0.00 4.02 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 69 G 7.66 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 0.00 0.00 0.00 0.00 70 I 8.09 5.15 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.94 0.00 0.00 71 V 8.56 4.65 2.14 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 1.02 0.00 0.00 0.89 0.00 0.00 72 L 9.04 5.09 0.00 1.73 1.44 0.92 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.29 5.13 0.00 2.71 2.98 0.00 0.00 6.84 7.16 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 74 P 0.00 4.46 0.00 2.14 2.09 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 75 G 8.43 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 0.00 0.00 0.00 76 A 8.55 4.23 1.56 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 77 L 8.08 3.22 0.00 1.70 1.48 0.83 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 S 7.88 3.95 0.00 3.88 3.35 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 79 H 8.04 4.76 0.00 3.53 3.63 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 7.24 4.63 0.00 2.92 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 81 S 7.61 4.21 0.00 3.49 3.61 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 82 Y 8.13 4.26 0.00 3.16 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 83 A 8.04 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.74 3.76 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 0.88 0.00 0.00 85 R 7.75 3.89 0.00 2.01 2.27 0.00 3.44 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.84 0.00 86 D 8.38 4.44 0.00 2.79 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 87 A 7.66 4.05 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 88 V 7.97 3.72 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 1.04 0.00 0.00 0.99 0.00 0.00 89 S 8.05 4.26 0.00 4.06 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 90 S 7.88 4.47 0.00 4.03 4.12 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 0.00 0.00 0.00 0.00 91 I 7.09 4.86 2.09 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 1.13 1.33 1.00 0.00 0.00 92 S 8.96 4.44 0.00 4.03 4.04 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 93 L 7.86 4.40 0.00 1.62 1.73 1.13 1.15 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 94 P 0.00 4.51 0.00 2.21 2.26 0.00 3.87 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 2.13 2.01 0.00 95 V 8.50 4.92 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 0.97 0.00 0.00 1.02 0.00 0.00 96 V 8.55 4.72 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 0.81 0.00 0.00 0.89 0.00 0.00 97 E 8.91 4.88 0.00 2.05 1.75 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 2.18 2.28 0.00 98 V 8.68 4.79 1.69 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 0.36 0.00 0.00 0.76 0.00 0.00 99 H 8.83 4.83 0.00 2.95 3.02 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.71 3.98 0.00 1.62 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 101 S 7.84 4.51 0.00 3.93 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 0.00 102 N 8.24 4.50 0.00 2.72 2.73 0.00 0.00 6.87 6.66 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 0.00 103 L 7.96 3.76 0.00 0.97 1.46 0.50 0.69 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 0.00 104 Y 6.91 3.93 0.00 2.98 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 0.00 105 A 7.80 4.55 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 0.00 106 R 7.58 4.83 0.00 1.73 1.75 0.00 3.12 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 107 E 8.35 3.98 0.00 1.44 1.81 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 2.48 2.34 0.00 108 E 8.63 3.37 0.00 1.90 1.90 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 2.31 2.19 0.00 109 F 7.86 4.35 0.00 3.08 3.12 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 0.00 0.00 0.00 0.00 110 R 6.88 3.48 0.00 1.53 1.65 0.00 2.81 0.00 0.00 3.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 111 H 7.98 4.73 0.00 3.27 3.44 0.00 5.61 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.78 4.60 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 113 S 8.66 4.98 0.00 3.85 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 0.00 114 V 8.40 3.97 1.66 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 0.42 0.00 0.00 0.54 0.00 0.00 115 I 7.58 4.01 1.97 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.05 0.89 0.00 0.00 116 A 8.27 4.03 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 0.00 117 P 0.00 4.34 0.00 2.09 2.17 0.00 3.81 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 2.09 2.15 0.00 118 V 7.61 4.19 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 0.71 0.00 0.00 1.08 0.00 0.00 119 A 7.53 4.60 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 0.00 120 K 8.64 4.08 0.00 1.81 1.88 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.71 7.81 121 G 7.44 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 0.00 122 Q 8.54 5.10 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.67 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 123 I 8.68 4.51 1.77 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 1.04 0.60 0.85 0.00 0.00 124 V 8.57 4.71 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 0.51 0.00 0.00 0.86 0.00 0.00 125 G 9.06 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 0.00 0.00 0.00 126 L 7.73 4.34 0.00 1.60 1.67 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.12 3.80 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 0.00 128 A 8.51 4.19 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 0.00 129 E 8.44 4.02 0.00 2.08 2.17 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 2.38 2.44 0.00 130 G 8.09 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 0.00 131 Y 7.78 4.12 0.00 3.20 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 0.00 132 K 7.88 3.69 0.00 1.86 1.59 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.02 7.81 133 L 8.18 4.10 0.00 1.81 1.74 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.22 3.99 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 0.00 135 V 8.10 3.38 2.44 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 1.43 0.00 0.00 1.08 0.00 0.00 136 R 8.79 4.00 0.00 2.11 2.04 0.00 3.32 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.12 0.00 137 Y 7.79 4.01 0.00 2.96 3.12 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 0.00 0.00 0.00 0.00 138 L 7.88 3.83 0.00 1.70 0.81 0.96 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 139 L 7.87 4.14 0.00 1.80 1.78 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.33 4.19 0.00 3.93 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 0.00 141 Q 7.49 4.13 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.58 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.