NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7076 8.2833 119.2037 53.7386 40.9265 176.5937 3 D 4.3370 7.9301 117.5139 56.5271 41.1333 176.9802 4 L 3.9971 7.8974 119.2457 57.2392 42.7748 179.0775 5 K 4.0096 7.5445 116.1764 59.7976 32.4745 178.3340 6 R 4.0890 7.9269 116.6662 57.0241 30.2506 176.9328 7 L 4.0586 7.1876 119.4346 53.6050 42.1159 175.3287 8 P 3.8859 0.0000 0.0000 62.6515 31.7619 176.0061 9 Y 4.1582 5.9349 119.1340 57.6129 38.6513 175.3487 10 E 4.3310 8.6259 124.1429 55.5073 30.8274 174.3486 11 P 4.4545 0.0000 0.0000 62.8256 32.5398 175.9298 12 V 4.0559 8.2375 125.5876 62.3188 31.9189 175.9073 13 K 4.4184 8.6434 129.7944 54.1035 33.3332 173.7004 14 G 4.0628 8.7791 110.2288 44.9060 0.0000 174.0563 15 L 3.9963 7.6860 119.6033 54.9527 42.0712 176.4558 16 L 4.6856 7.9890 122.1235 51.9286 44.3344 174.3216 17 P 4.3798 0.0000 0.0000 62.8164 31.9140 177.0090 18 R 4.2984 8.4062 122.3620 55.0787 31.6071 174.3991 19 P 4.6906 0.0000 0.0000 62.3463 32.0885 176.3760 20 A 4.2754 8.6231 125.0659 52.2003 19.0383 177.1119 21 V 4.1024 8.7348 122.0107 63.1438 33.0292 173.4101 22 G 4.1404 8.6048 114.3583 44.3898 0.0000 171.3497 23 T 4.3973 8.3850 110.3934 60.4287 70.1895 175.6842 24 S 4.7062 8.3291 124.0619 56.5389 60.9244 173.0486 25 E 4.2214 7.9325 121.9907 55.8862 30.6372 177.4839 26 R 4.1498 8.7419 122.7564 58.9782 31.3626 176.4754 27 V 4.9836 7.7214 116.7190 61.1252 34.8399 174.6413 28 I 4.4962 8.6860 128.8221 59.6443 39.1155 174.9598 29 T 4.4659 8.5143 118.0797 61.2382 69.8277 174.0281 30 L 4.8993 7.7756 123.6972 52.1175 44.0743 174.9193 31 P 4.4887 0.0000 0.0000 62.0399 32.2225 176.0190 32 E 3.9698 8.5021 119.4953 55.8307 29.8605 175.5991 33 P 4.2293 0.0000 0.0000 62.1228 32.1629 175.7836 34 D 4.4390 7.9820 119.3977 54.2383 41.8168 175.9395 35 R 4.3426 8.2610 119.4950 57.2809 31.1045 176.4644 36 T 3.9397 7.2488 108.1811 63.2963 69.1675 175.5687 37 S 4.3694 7.8868 117.4448 56.9743 65.1620 171.9402 38 G 3.7515 9.1286 115.5912 44.2126 0.0000 173.4137 *40 P 4.1838 0.0000 0.0000 61.7846 33.5105 177.0714 41 L 3.5827 8.6263 123.8414 56.1707 42.7582 179.0163 *43 G 4.0597 8.2786 107.6902 45.3213 0.0000 176.0437 44 T 3.9834 7.8697 110.5535 64.2603 69.1083 176.6610 45 L 3.9436 8.0849 121.6732 57.3342 41.8043 178.5308 46 W 4.2574 8.2057 117.2477 59.3746 29.0504 176.7954 47 L 4.4823 7.6768 114.9428 54.3891 41.5493 176.5894 48 R 4.0251 7.5772 121.2004 56.1541 30.0852 175.5378 49 K 4.4639 8.2932 122.8037 56.3671 35.2210 174.5121 50 S 5.3378 8.4629 115.3264 57.4599 64.4471 173.9980 51 T 4.7304 8.8607 120.9766 62.0062 71.1116 174.1175 52 R 4.7140 8.5211 121.4108 55.5212 33.3915 174.6398 53 E 4.9295 7.5754 118.9169 54.3222 32.4273 175.0167 54 F 5.4046 8.7221 121.7847 55.4730 42.9416 174.2756 55 D 4.7048 9.2263 121.3885 54.3493 41.6065 176.5025 56 Q 4.2856 8.7685 121.8344 56.3290 29.4150 176.2089 57 Q 4.0260 7.9571 120.4292 55.2794 29.4433 174.4653 58 P 4.4714 0.0000 0.0000 62.3547 32.0969 176.0000 59 L 4.1966 8.1682 119.9716 53.7540 42.4016 176.1928 60 P 4.4592 0.0000 0.0000 62.5142 33.2981 177.1342 61 L 3.8663 8.4925 120.3538 58.3551 41.8751 179.1592 62 K 3.8899 8.0311 118.9322 59.7030 32.1455 178.6793 63 Q 4.2010 7.9634 119.0686 58.2459 28.8288 177.9406 64 L 3.8736 8.0667 121.5184 58.1644 41.9780 178.9625 65 S 4.0230 8.1490 112.8751 61.6357 62.4315 176.0659 66 E 3.8724 8.0829 121.1698 59.0013 29.0173 179.1149 67 L 3.3666 7.4538 120.2919 57.9962 42.1012 179.0522 68 L 3.5452 7.5904 118.7444 57.3082 41.3563 179.3563 69 W 4.0502 8.2742 128.1280 60.2772 30.4398 177.6133 70 A 3.7039 8.2976 119.6205 55.2455 17.9064 179.2424 71 A 4.1663 7.9752 117.6770 54.6574 18.6092 178.3168 72 A 4.5908 7.9301 115.0328 51.4920 21.1866 176.3418 73 G 3.7003 7.8917 107.0976 45.2125 0.0000 173.1935 74 V 4.5091 8.3516 120.5489 62.4847 31.6861 175.3141 75 N 5.2922 9.3895 124.7960 52.8174 38.9345 174.7610 76 R 4.6094 7.8114 118.9002 54.5179 33.6497 176.0324 77 S 3.9980 9.0314 119.7774 61.0452 63.1908 174.1100 78 L 4.0043 7.7806 123.9707 55.9727 41.5246 176.8636 79 G 3.8795 8.9628 114.8540 44.6262 0.0000 172.4883 80 G 3.9376 7.9171 106.5972 46.0115 0.0000 174.5371 81 G 3.8233 7.6543 105.7927 46.4341 0.0000 173.9985 82 R 5.2849 8.3323 120.9275 54.0290 33.2648 177.0640 83 T 3.8903 8.3745 110.2943 63.5713 69.0548 174.6054 84 A 4.6943 7.1833 124.3147 49.1705 21.8585 173.8824 85 P 4.5688 0.0000 0.0000 62.7660 32.5732 175.7844 86 S 4.5621 8.0071 111.5056 55.9854 65.7986 172.1071 87 P 4.0826 0.0000 0.0000 64.6337 31.2135 175.7653 88 Y 3.7968 9.3781 117.4377 58.5347 35.6075 171.3576 89 G 3.9588 8.1999 106.1227 45.7658 0.0000 174.4851 90 E 4.1868 7.8414 118.8374 56.3966 29.9897 177.8016 91 T 4.3170 8.1432 119.6626 63.0765 67.3574 174.7268 92 V 3.9441 8.1044 120.1769 62.9171 33.2694 175.6008 93 I 5.0908 7.8289 120.5729 59.5274 39.3227 174.8496 94 D 5.0312 9.1507 126.6743 52.5614 43.7237 175.3053 95 V 4.5446 8.2949 122.3881 61.6895 33.4677 174.0746 96 Y 5.0395 9.0457 125.6766 56.2754 41.3329 174.8842 97 V 4.7830 9.1697 121.3391 61.1903 35.0497 174.2564 98 A 4.8304 9.1911 131.2668 51.1643 19.7518 176.0611 99 L 4.9489 8.8169 122.1414 52.8595 44.8093 176.5734 100 P 4.2026 0.0000 0.0000 65.6535 31.3773 178.3754 101 A 4.5214 7.5810 117.9622 51.6088 18.9985 176.9573 102 G 4.3303 7.0037 107.6925 44.2113 0.0000 171.0432 103 L 4.9213 8.1232 123.3563 54.1838 43.3769 175.1279 104 Y 5.1443 9.3457 123.7169 56.1791 42.1696 174.2648 105 R 4.3305 8.8591 122.6157 54.5822 32.2659 174.4573 106 Y 4.6438 8.6625 128.8789 57.4538 39.9143 174.0435 107 D 4.3973 8.5661 127.5634 52.0163 41.9250 175.1319 108 P 3.8713 0.0000 0.0000 65.3030 31.7364 178.4504 109 V 3.6283 7.8124 116.7778 65.4958 31.4648 175.9960 110 H 4.6039 8.1119 113.1696 54.8646 30.2927 173.5039 111 H 4.1030 7.9161 119.6183 56.7197 28.5155 171.7611 112 C 5.0279 7.0416 114.1785 57.2029 34.3576 174.0133 113 L 5.2475 8.8436 119.2196 53.1006 43.7958 175.5831 114 E 5.1314 9.0194 123.4312 54.0570 32.2439 175.2810 115 L 3.5179 8.8055 127.7413 55.4344 42.0156 176.0045 116 K 4.4071 8.8220 127.9208 57.8033 33.9695 176.6739 117 R 4.4622 7.3640 119.2325 54.4986 33.4045 174.9023 118 A 4.2827 8.3888 129.8907 50.1084 16.0226 175.7874 119 A 4.4508 7.4333 122.2405 50.2366 23.6926 176.1849 120 D 4.7371 9.2087 120.9401 52.9644 41.7718 176.3576 121 L 4.8227 8.1429 125.9335 54.3930 42.2279 177.4189 122 R 4.0353 8.0044 118.2162 57.0042 30.4471 176.3184 123 S 3.2995 9.1351 113.8627 59.4384 62.6217 172.2850 *125 T 4.2488 8.2353 114.4986 60.1970 70.4869 175.7235 126 G 3.8058 8.5356 109.6845 45.4757 0.0000 172.2127 127 Y 5.0166 7.4366 115.9406 56.1017 41.6496 175.6909 128 Q 3.9472 8.9004 125.6714 55.0227 27.5669 174.5110 129 D 3.3700 7.6848 121.2457 51.4687 39.6729 176.7462 130 F 3.8242 7.0883 115.6831 58.9587 37.0299 174.9718 131 V 4.0837 7.3468 119.0460 62.8715 32.2035 173.9939 132 G 3.7182 9.6825 118.1941 47.7285 0.0000 175.4251 *134 A 4.1567 9.1200 119.2574 50.8140 19.8561 177.2079 135 P 4.2993 0.0000 0.0000 65.4318 31.8495 176.7539 136 L 4.8286 7.3837 115.3967 54.6589 44.1450 174.3558 137 D 5.3718 8.6285 119.0457 52.5616 44.5943 174.9680 138 L 4.6250 9.0992 123.1612 53.5900 43.8095 175.6557 139 V 4.7038 8.5692 123.4550 61.1466 34.3209 174.2471 140 F 5.0788 9.5379 127.7398 56.4095 40.2283 174.7493 141 V 4.8080 8.9493 125.2475 61.0815 33.5420 174.5494 142 A 4.7110 9.3800 130.7330 51.5443 20.4657 175.7872 143 N 5.0737 9.2774 122.3894 52.2509 38.9678 174.9673 144 H 4.1988 9.4603 124.9933 58.4070 28.8191 177.5981 145 G 3.7177 8.1548 107.1805 48.0984 0.0000 174.2608 146 R 4.3551 7.5138 120.0389 55.6860 29.4950 177.0813 *148 Q 4.3190 7.7623 115.8727 55.7558 31.6490 176.6637 149 E 4.3069 7.9494 119.3924 54.3634 28.5475 174.2626 *151 P 4.1992 0.0000 0.0000 61.3525 33.6021 176.3800 152 P 4.2110 0.0000 0.0000 66.2134 30.8087 178.6502 153 K 4.1071 7.9393 115.5816 57.7108 32.2709 177.9020 154 L 4.1441 7.4530 118.4753 54.6723 41.9555 178.5124 155 R 3.7613 7.5111 118.9672 59.1266 29.9454 178.4193 156 E 3.9224 7.9849 118.6105 59.4445 29.6347 178.7975 157 T 3.8614 7.6938 115.2737 66.7127 68.6384 176.4941 158 F 4.4327 8.3353 119.9185 60.6798 38.8337 177.9144 159 S 4.1416 8.5346 114.8810 61.6859 62.6497 176.6903 160 A 3.9573 8.2521 123.2607 54.9795 18.0140 179.5707 161 A 3.8683 8.3535 119.2741 55.1563 18.2855 179.5746 162 A 3.8564 7.8052 117.6410 55.4258 18.5793 179.3260 163 A 3.9585 8.0892 118.1541 55.1229 18.6452 179.7074 164 G 3.6661 8.3741 104.3447 47.7780 0.0000 176.0700 165 A 4.1924 7.9380 119.2155 52.8821 17.9456 178.8066 *167 A 4.3136 7.9429 125.1502 53.3605 20.8593 179.7131 168 E 4.1429 8.3301 116.4616 59.4864 29.5816 178.5203 169 N 4.3503 8.4066 116.4715 56.4315 38.5314 177.1936 170 A 4.0991 8.0436 121.4148 55.3385 18.6075 178.8468 171 Y 4.2318 8.2747 115.4247 61.5521 37.9495 179.2169 172 L 4.0853 8.2650 119.5848 57.8921 41.2033 178.9070 173 Y 4.0141 8.3788 119.5944 60.9909 38.8000 177.9146 174 C 4.0963 8.6199 117.6820 62.8165 28.3973 176.0611 175 A 4.0313 8.2371 122.4874 55.2021 17.7865 179.8279 176 S 4.1365 8.1385 111.6710 60.8591 63.0510 175.5870 177 A 4.4376 7.4763 121.2560 50.6974 18.9985 176.8612 178 G 3.8119 7.5380 104.5135 46.9206 0.0000 173.8580 179 L 4.8533 8.3397 118.5253 52.5360 44.6012 176.6839 180 G 4.3428 9.5856 108.9681 45.8004 0.0000 172.5774 181 A 5.4688 8.4902 121.3080 50.7381 23.2628 175.9598 182 V 4.8681 8.3724 119.5252 60.4526 34.7066 174.2831 183 V 4.3637 8.8106 126.6195 61.5592 32.6321 175.9805 184 R 4.7501 9.6426 122.1757 54.8219 33.2634 176.0663 185 G 4.1263 9.1649 111.6692 45.4812 0.0000 174.1883 186 W 4.1927 8.2392 119.8472 55.6616 27.3181 173.9256 187 L 5.1060 7.9090 120.8130 52.5062 44.0618 177.4971 188 N 4.8547 9.3010 122.6567 52.6693 37.8274 175.6832 189 R 3.9460 8.3429 126.1362 59.0441 30.5088 178.6554 190 R 3.9119 7.9272 117.3341 59.1190 30.1431 178.7560 191 Q 3.8452 8.1147 118.9814 59.1242 28.8900 178.0700 192 L 3.9798 7.9770 120.0189 57.9902 42.4041 178.3168 193 A 4.0509 8.3274 121.1968 55.0692 18.0784 179.1603 194 E 3.8449 7.8775 116.5040 59.6158 29.8125 180.5036 195 H 4.3811 7.6510 113.8533 55.7514 29.0591 175.8816 *197 S 4.2816 8.0301 114.1246 58.3039 64.1579 174.5085 198 L 4.2759 7.5536 119.2137 54.3199 42.3915 177.1586 199 N 4.6880 9.2316 118.9710 52.7171 39.3207 176.4143 200 E 3.9430 8.7979 119.4938 59.8035 29.6738 178.1909 201 D 4.6885 8.1348 115.5718 53.5201 39.7731 174.5575 202 E 5.1930 7.9981 120.0751 54.8724 31.5525 174.9927 203 E 4.6500 9.2969 125.7687 53.4769 32.6357 173.1505 204 P 4.6687 0.0000 0.0000 63.3615 31.5078 175.5976 205 I 4.4006 8.9726 125.0579 62.5734 38.9969 176.0681 206 L 5.1713 7.9161 119.7982 53.1744 46.5391 175.2203 207 S 5.3972 9.3801 115.9257 56.9123 67.1147 172.8037 208 Q 4.9339 9.2138 121.4140 55.3560 32.6295 173.1600 209 T 4.8940 8.7561 123.9401 61.8240 69.7976 174.0501 210 I 4.8809 8.1695 126.6370 59.2604 41.5582 175.0775 211 G 3.9546 8.1981 111.4917 45.9733 0.0000 172.2460 212 R 4.6205 8.1142 118.4413 55.8010 31.1076 176.8519 213 A 4.4114 8.6849 124.6191 51.6982 18.3905 177.2674 214 A 4.1778 8.6027 122.7361 52.2097 19.2959 179.2757 215 S 4.1090 8.7594 115.3763 60.9408 63.3800 174.5375 216 H 4.3976 7.6049 122.7984 56.1005 29.7184 173.0234 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 2 N 8.28 4.71 0.00 2.81 2.87 0.00 0.00 7.09 7.61 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 3 D 7.93 4.34 0.00 2.82 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 4 L 7.90 4.00 0.00 1.69 1.72 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 5 K 7.54 4.01 0.00 1.94 1.96 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.43 7.81 6 R 7.93 4.09 0.00 1.97 2.01 0.00 3.18 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 7 L 7.19 4.06 0.00 1.64 1.55 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 3.89 0.00 2.27 2.27 0.00 3.74 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 2.00 2.05 0.00 9 Y 5.93 4.16 0.00 2.33 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 10 E 8.63 4.33 0.00 2.08 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 11 P 0.00 4.45 0.00 1.98 1.84 0.00 3.87 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 2.00 2.03 0.00 12 V 8.24 4.06 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 0.67 0.00 0.00 0.86 0.00 0.00 13 K 8.64 4.42 0.00 1.81 1.56 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.28 0.98 7.81 14 G 8.78 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.00 0.00 1.58 1.57 0.89 0.89 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 16 L 7.99 4.69 0.00 1.58 1.55 0.92 1.09 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 17 P 0.00 4.38 0.00 1.90 1.93 0.00 3.64 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 18 R 8.41 4.30 0.00 1.74 1.83 0.00 3.12 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 19 P 0.00 4.69 0.00 1.93 1.98 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 20 A 8.62 4.28 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 21 V 8.73 4.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.99 0.00 0.00 22 G 8.60 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.38 4.40 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 1.22 0.00 0.00 24 S 8.33 4.71 0.00 3.96 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 25 E 7.93 4.22 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 26 R 8.74 4.15 0.00 1.91 1.95 0.00 3.12 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 27 V 7.72 4.98 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 0.88 0.00 0.00 0.95 0.00 0.00 28 I 8.69 4.50 1.60 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.39 0.78 0.00 0.00 29 T 8.51 4.47 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 1.20 0.00 0.00 30 L 7.78 4.90 0.00 1.58 1.50 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.49 0.00 2.16 2.04 0.00 3.76 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 1.98 1.97 0.00 32 E 8.50 3.97 0.00 1.92 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 2.27 2.28 0.00 33 P 0.00 4.23 0.00 1.20 1.63 0.00 3.45 0.00 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3.27 0.00 5.90 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 0.00 111 H 7.92 4.10 0.00 3.42 3.31 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 C 7.04 5.03 0.00 3.12 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 0.00 113 L 8.84 5.25 0.00 1.40 1.55 0.64 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.02 5.13 0.00 1.88 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 2.23 2.20 0.00 115 L 8.81 3.52 0.00 1.54 1.46 0.32 0.83 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 0.00 116 K 8.82 4.41 0.00 1.87 2.01 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.54 1.44 7.81 117 R 7.36 4.46 0.00 1.84 1.65 0.00 3.24 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 118 A 8.39 4.28 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.43 4.45 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 9.21 4.74 0.00 2.94 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 0.00 121 L 8.14 4.82 0.00 1.63 1.62 0.91 0.99 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 0.00 122 R 8.00 4.04 0.00 1.89 1.83 0.00 3.46 0.00 0.00 3.38 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 123 S 9.14 3.30 0.00 4.00 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 *125 T 8.24 4.25 4.59 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 1.28 0.00 0.00 126 G 8.54 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 0.00 0.00 0.00 127 Y 7.44 5.02 0.00 3.01 2.81 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 0.00 128 Q 8.90 3.95 0.00 1.73 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.27 0.00 0.00 0.00 0.00 0.00 2.02 1.27 0.00 129 D 7.68 3.37 0.00 2.00 1.54 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 0.00 130 F 7.09 3.82 0.00 3.20 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 0.00 131 V 7.35 4.08 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 0.91 0.00 0.00 1.12 0.00 0.00 132 G 9.68 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 0.00 0.00 0.00 *134 A 9.12 4.16 0.53 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 0.00 0.00 135 P 0.00 4.30 0.00 2.00 2.12 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 136 L 7.38 4.83 0.00 1.84 1.66 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.63 5.37 0.00 2.59 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 0.00 138 L 9.10 4.63 0.00 1.37 1.01 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.57 4.70 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 140 F 9.54 5.08 0.00 3.07 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 0.00 141 V 8.95 4.81 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 1.12 0.00 0.00 0.86 0.00 0.00 142 A 9.38 4.71 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 0.00 143 N 9.28 5.07 0.00 2.78 2.77 0.00 0.00 6.92 7.93 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 0.00 144 H 9.46 4.20 0.00 3.20 3.38 0.00 5.72 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 0.00 145 G 8.15 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 0.00 0.00 0.00 146 R 7.51 4.36 0.00 2.00 2.10 0.00 3.34 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 *148 Q 7.76 4.32 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.54 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 149 E 7.95 4.31 0.00 2.27 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 2.27 1.89 0.00 *151 P 0.00 4.20 0.00 2.11 1.99 0.00 3.51 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 152 P 0.00 4.21 0.00 2.23 2.31 0.00 3.67 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 2.05 2.06 0.00 153 K 7.94 4.11 0.00 1.68 1.84 0.00 1.69 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.48 7.81 154 L 7.45 4.14 0.00 1.13 0.29 0.79 0.73 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 0.00 155 R 7.51 3.76 0.00 1.84 1.95 0.00 3.15 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 156 E 7.98 3.92 0.00 2.05 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 2.34 2.43 0.00 157 T 7.69 3.86 4.30 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 1.31 0.00 0.00 158 F 8.34 4.43 0.00 2.90 3.01 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 0.00 159 S 8.53 4.14 0.00 3.99 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 0.00 160 A 8.25 3.96 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 0.00 161 A 8.35 3.87 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 0.00 162 A 7.81 3.86 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 0.00 163 A 8.09 3.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.37 3.67 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 0.00 0.00 0.00 165 A 7.94 4.19 1.32 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 0.00 0.00 0.00 *167 A 7.94 4.31 1.07 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 0.00 168 E 8.33 4.14 0.00 2.25 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 2.29 2.41 0.00 169 N 8.41 4.35 0.00 2.78 2.87 0.00 0.00 6.92 6.68 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 0.00 170 A 8.04 4.10 1.48 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 0.00 171 Y 8.27 4.23 0.00 3.23 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 0.00 172 L 8.26 4.09 0.00 1.94 1.79 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 8.38 4.01 0.00 3.25 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 0.00 174 C 8.62 4.10 0.00 3.27 3.17 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 0.00 175 A 8.24 4.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 S 8.14 4.14 0.00 3.96 3.97 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 0.00 0.00 0.00 177 A 7.48 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.54 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 0.00 0.00 0.00 179 L 8.34 4.85 0.00 1.51 1.66 1.06 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 180 G 9.59 4.34 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 0.00 0.00 0.00 181 A 8.49 5.47 1.03 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 0.00 0.00 0.00 0.00 0.00 0.00 182 V 8.37 4.87 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 0.94 0.00 0.00 1.09 0.00 0.00 183 V 8.81 4.36 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 0.93 0.00 0.00 1.03 0.00 0.00 184 R 9.64 4.75 0.00 1.79 1.95 0.00 3.15 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 185 G 9.16 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 0.00 186 W 8.24 4.19 0.00 3.41 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 L 7.91 5.11 0.00 1.67 1.65 0.98 1.22 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 0.00 188 N 9.30 4.85 0.00 2.63 2.72 0.00 0.00 6.87 7.20 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 0.00 189 R 8.34 3.95 0.00 1.91 1.98 0.00 3.19 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 190 R 7.93 3.91 0.00 1.85 1.96 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 191 Q 8.11 3.85 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 192 L 7.98 3.98 0.00 1.75 1.74 0.93 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 193 A 8.33 4.05 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 0.00 194 E 7.88 3.84 0.00 1.90 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 0.00 2.22 2.26 0.00 195 H 7.65 4.38 0.00 3.30 3.25 0.00 5.74 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *197 S 8.03 4.28 0.00 3.86 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.55 4.28 0.00 1.59 1.64 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 199 N 9.23 4.69 0.00 2.74 2.76 0.00 0.00 7.29 7.39 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 0.00 200 E 8.80 3.94 0.00 1.95 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 2.31 2.31 0.00 201 D 8.13 4.69 0.00 2.95 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 0.00 202 E 8.00 5.19 0.00 2.05 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 0.00 2.32 2.27 0.00 203 E 9.30 4.65 0.00 2.03 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 2.27 0.00 204 P 0.00 4.67 0.00 2.01 1.98 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 205 I 8.97 4.40 2.04 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 1.42 0.89 0.98 0.00 0.00 206 L 7.92 5.17 0.00 1.68 1.60 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 207 S 9.38 5.40 0.00 3.93 4.02 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 0.00 0.00 0.00 208 Q 9.21 4.93 0.00 2.30 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 209 T 8.76 4.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 210 I 8.17 4.88 1.79 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 1.13 1.14 0.93 0.00 0.00 211 G 8.20 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 0.00 0.00 0.00 212 R 8.11 4.62 0.00 1.86 1.92 0.00 3.17 0.00 0.00 3.37 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 213 A 8.68 4.41 1.18 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 0.00 214 A 8.60 4.18 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 0.00 215 S 8.76 4.11 0.00 3.88 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 0.00 216 H 7.60 4.40 0.00 3.28 3.09 0.00 5.69 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.