NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0937 8.1633 120.7316 55.1839 34.0536 173.8163 2 R 4.9398 9.1997 120.5314 52.2500 33.8388 169.5112 3 V 4.9524 8.6407 123.2901 59.8702 35.3996 174.2403 4 V 4.7694 8.9249 124.5316 61.5286 33.4145 174.1322 5 I 4.9957 9.0199 129.9716 59.8267 39.3802 174.7725 6 Q 5.2031 8.9032 125.8962 53.9746 32.1258 174.7066 7 R 4.6488 8.6410 124.5251 56.0415 31.4122 175.5899 8 V 5.0233 9.1150 119.0872 59.7393 35.5465 176.5527 9 K 4.2920 9.1681 122.4287 57.8227 32.8036 177.2587 10 G 4.3826 7.5913 105.5925 45.3619 0.0000 172.2737 11 A 5.1931 8.1853 122.2428 50.3685 23.1051 175.2134 12 I 4.6573 9.1962 124.0264 59.4375 40.0766 174.3127 13 L 5.1172 9.3181 130.3510 53.4294 44.1220 175.3259 14 S 5.3129 9.5617 121.8507 56.9360 67.1429 173.3219 15 V 4.9320 8.4433 114.7835 59.6670 36.0980 175.2393 16 R 4.8573 8.4421 119.6902 54.6077 31.4117 175.9833 *26 E 4.0648 8.3019 119.3996 55.6003 30.5351 174.9490 27 L 4.4329 8.5146 125.7869 55.3384 42.4033 176.1592 28 E 4.7226 9.5769 124.3041 54.2296 33.5900 174.3197 29 I 4.4336 8.5871 127.7719 61.7621 37.0174 175.5738 30 I 4.4617 8.5370 120.4363 61.1399 39.8525 176.1987 31 S 4.9007 7.8927 118.0186 56.7561 67.0904 172.8567 32 E 5.3629 8.6604 120.3673 55.0284 32.7303 173.9569 33 I 4.8752 8.6169 113.7739 58.3460 41.8176 176.1896 34 K 4.5958 9.5406 124.2092 55.7349 30.7611 178.6116 35 N 4.6342 8.5226 125.4767 53.7882 39.6963 173.6454 36 G 4.4524 7.0539 109.9463 45.7078 0.0000 172.8356 37 L 5.3675 8.9100 124.7519 52.8258 45.8349 174.8140 38 I 4.5457 8.5644 123.6658 59.6936 40.1753 174.0372 39 C 5.1078 9.0201 126.8155 57.9732 31.1747 173.3504 40 F 5.0805 9.0053 124.7523 56.6611 39.8461 174.8422 41 L 5.1672 9.5828 127.8060 53.2883 44.2804 175.1358 42 G 4.5453 9.7544 115.1500 45.0694 0.0000 172.0914 43 I 5.0483 8.5877 126.4305 59.7229 39.3296 175.1854 44 H 3.5550 9.6705 127.8401 55.0413 30.4144 175.9242 45 K 3.7059 7.8033 126.2462 59.0658 32.0040 177.4082 46 N 4.9106 8.0135 112.9858 52.7832 38.8855 174.4264 47 D 4.4929 7.6345 119.0643 54.6408 41.4298 175.8699 48 T 4.9108 8.5069 112.3547 59.1379 71.7052 175.0254 49 W 4.5220 8.9704 130.3055 60.8352 30.4101 177.5344 50 E 3.9229 8.3624 118.1022 59.3527 28.7575 178.8933 51 D 4.4034 8.1620 118.5848 57.0867 40.7954 178.6500 52 A 3.9502 7.8394 120.8579 55.2024 18.5083 179.5004 53 L 3.4034 7.5047 117.8002 57.7348 41.5083 179.2827 54 Y 3.8511 7.7116 119.3082 60.5520 38.6902 177.8550 55 I 3.6558 7.5244 120.5865 64.5385 37.2686 178.2788 56 I 3.0484 7.5011 120.4740 64.2517 36.8956 178.3375 57 R 3.7400 7.6706 119.2159 59.3797 29.7649 178.7512 58 K 3.8001 7.7042 118.0314 59.6187 31.8535 178.9952 59 C 4.1538 8.1346 116.0469 63.1114 28.2083 175.9794 60 L 4.2760 8.0828 118.8828 56.3970 41.4641 177.4292 61 N 4.8463 7.8081 113.5578 52.7883 40.4866 175.1194 62 L 3.9447 8.2322 120.2966 55.1585 42.2052 176.7722 63 R 4.7700 8.6096 123.0479 55.4899 28.9723 176.1850 64 L 5.1012 8.5784 120.2797 53.9382 43.3088 176.2555 65 W 4.7185 8.3513 119.4965 54.4443 32.5998 175.1017 66 N 4.7636 8.6386 119.6529 53.4104 39.4193 174.0049 67 N 4.8707 8.5747 119.8963 52.6179 38.9634 170.7054 68 D 4.0429 9.1514 122.3182 55.3535 38.9110 175.4811 69 N 4.4250 8.7419 121.8550 52.5306 37.1369 171.8425 70 K 4.4763 8.0821 117.8076 55.3878 32.8361 176.3474 71 T 4.6946 8.3182 113.6531 60.0407 70.7807 174.1122 72 W 3.8170 7.6961 119.2423 57.3121 26.7093 173.9990 73 D 4.9051 8.1301 116.8714 54.9563 43.4883 176.8857 74 K 4.9824 8.5959 117.5950 54.5810 35.3997 176.0549 75 N 5.6579 9.3172 121.5094 50.5899 39.7090 176.3657 76 V 3.3625 8.6937 118.0587 64.7540 31.8480 178.7244 77 K 3.4580 7.8121 119.5760 58.8357 31.5779 178.6779 78 D 4.2803 8.2747 118.8996 57.0243 40.8678 178.0957 79 L 3.9187 6.6742 114.4270 53.2401 41.8821 175.9391 80 N 4.3738 7.3276 115.4659 54.2386 37.7091 173.5339 81 Y 4.8477 7.7490 113.8346 57.1145 39.8307 174.6488 82 E 4.9874 8.8132 119.4268 54.9214 33.1186 175.3669 83 L 5.2298 8.9050 120.8790 52.9105 45.6238 175.4994 84 L 4.9821 8.8811 125.6905 53.5203 43.8923 174.9473 85 I 4.6889 8.7402 128.7940 59.7776 39.2161 175.0023 86 V 4.6846 8.7754 127.8840 60.7925 34.1009 174.6086 87 S 4.7806 8.6942 123.2102 58.6744 63.3943 174.0172 88 Q 4.5616 9.6991 128.2358 54.0970 29.5476 174.8496 89 F 4.5103 8.8666 120.2389 59.2273 38.5853 178.1645 90 T 3.9978 6.8506 110.6365 63.3941 68.7154 175.9557 91 L 4.0293 7.7199 121.7905 56.9878 41.6748 177.4911 92 F 4.7439 8.1890 116.5144 57.0362 39.8596 176.2569 93 G 3.4859 8.2055 107.4773 46.1298 0.0000 173.4218 94 N 4.7256 9.4590 128.1865 52.7485 39.9025 175.4420 95 T 4.6565 8.3201 114.7431 61.2799 69.6430 175.1035 96 K 3.9729 8.0047 123.2326 59.8689 31.4682 177.9307 97 K 4.0536 7.4398 118.8663 56.7885 32.7578 178.0692 98 G 4.2643 7.4174 109.0448 43.7305 0.0000 171.7770 99 N 4.4646 8.5770 114.6094 53.3913 38.8726 175.2224 100 K 4.3211 7.6509 120.3955 53.8445 32.4117 174.1765 101 P 4.1552 0.0000 0.0000 62.6135 31.8851 175.4419 102 D 4.5434 8.5153 122.2662 53.0599 42.0729 176.4459 103 F 5.3734 8.5154 124.5045 57.6191 39.4744 177.4415 104 H 4.3926 8.3928 119.1691 58.4604 28.5666 176.9763 105 L 3.8403 7.7179 119.3716 56.8041 41.8074 176.6676 106 A 4.0269 7.5570 120.3538 51.0997 18.8735 177.6697 107 K 3.9798 8.3147 123.4018 56.2863 33.2111 176.6647 108 E 4.1244 8.7536 125.3114 55.9478 29.9911 176.3687 109 P 4.7409 0.0000 0.0000 65.7433 30.9153 178.7779 110 N 4.4367 8.0752 114.9487 56.1029 38.7956 177.1459 111 E 4.2509 8.1158 119.2854 59.1893 29.7510 178.9884 112 A 4.1913 8.6868 121.3416 54.8004 18.3805 179.4157 113 L 2.7311 7.4374 118.7981 58.0091 42.1138 179.1546 114 I 3.6668 7.2154 118.8889 63.8388 37.9215 177.5029 115 F 4.0497 8.3392 121.6244 61.5376 39.2690 176.3954 116 Y 4.3040 8.8161 119.4194 61.0206 38.6124 177.8802 117 N 4.2898 8.4870 117.3912 56.2464 38.7431 177.5516 118 K 3.9054 8.1263 119.8972 59.4125 31.9659 179.4456 119 I 3.8235 7.7758 120.1691 64.4326 37.0076 178.5678 120 I 3.8383 7.6604 120.6479 64.4916 36.9056 178.1447 121 D 4.3930 8.0989 119.7845 57.5182 40.6860 178.6212 122 E 4.0502 8.3312 119.4121 58.9970 29.6617 178.6719 123 F 4.1728 8.4258 118.2425 60.7880 38.8348 177.8752 124 K 4.0972 8.0375 116.5205 59.1210 31.8702 179.0923 125 K 4.1135 8.0898 119.3320 59.6831 32.2890 178.5464 126 Q 4.2793 8.1340 116.1743 55.5642 29.2260 175.6249 127 Y 4.9776 8.6579 117.3391 57.3830 38.8919 177.3368 128 N 4.9529 8.5753 113.5290 51.2998 42.1695 173.6280 129 D 4.3261 8.7140 123.6283 56.7539 41.4894 176.3503 130 D 4.5441 8.6558 116.8953 54.6578 41.7220 176.4216 131 K 4.3073 7.4927 116.6579 56.7010 33.6158 175.6120 132 I 4.7072 7.4976 121.5156 59.5417 38.6646 175.0840 133 K 4.8497 9.1653 127.1701 54.4622 35.5138 175.2898 134 I 5.1700 7.6562 114.7709 57.5462 40.9850 176.2581 135 G 4.0671 8.7419 114.6984 45.4180 0.0000 175.8787 136 K 4.4264 8.3781 127.6383 53.8097 33.6364 175.0517 137 F 4.0152 8.8195 129.0204 59.6276 39.6342 175.4859 138 G 3.8560 7.9697 115.6780 45.4383 0.0000 173.0890 139 N 4.8345 7.4696 116.3927 51.4797 40.0588 174.4068 140 Y 4.1058 8.5274 122.3246 58.2874 39.3987 175.3161 141 M 4.9131 7.4670 125.2563 53.3703 36.2028 174.0701 142 N 4.7883 8.9985 120.9875 51.8693 41.5675 173.2366 143 I 4.8066 8.2781 126.7101 59.5452 40.0021 175.3185 144 D 4.6010 9.2974 129.5007 53.8885 41.4004 175.6906 145 V 4.6054 8.3492 123.8817 61.4607 33.8328 175.6575 146 T 4.4640 8.8133 125.6829 61.7548 68.7655 172.8457 147 N 4.7257 8.5825 123.3887 53.4632 39.3798 174.8869 148 D 4.3662 10.5150 125.2604 52.2996 40.1324 173.9997 149 G 3.7484 8.5301 116.6652 44.3964 0.0000 169.9513 150 P 4.3958 0.0000 0.0000 61.3760 32.8458 175.7624 151 V 4.4587 8.1221 117.7817 61.5441 34.3874 174.0922 152 T 5.2107 8.7126 124.1053 61.9351 71.5091 173.3363 153 I 4.6121 8.9616 127.7223 59.5184 40.2179 173.9966 154 Y 5.2780 8.6801 126.9026 55.8776 41.4441 174.6304 155 I 4.4497 7.8240 126.1191 59.3998 41.6018 173.5679 156 D 5.2223 8.3227 126.5076 52.3952 42.9432 176.9092 157 T 3.7856 8.8207 117.2285 64.6548 68.9639 175.6128 158 H 4.5043 8.3826 117.5434 57.0915 28.5512 175.3297 159 D 4.7963 7.8525 118.3448 53.9330 41.4104 176.0303 160 I 4.2366 7.5600 123.2431 60.1814 38.8813 176.1611 161 N 4.5223 8.4921 119.9479 52.3930 37.7406 173.4633 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 M 8.16 5.09 0.00 1.73 2.01 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.20 4.94 0.00 1.38 1.65 0.00 2.21 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 3 V 8.64 4.95 2.16 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 0.71 0.00 0.00 1.08 0.00 0.00 4 V 8.92 4.77 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.13 0.00 0.00 5 I 9.02 5.00 1.92 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 1.29 0.71 0.95 0.00 0.00 6 Q 8.90 5.20 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 7 R 8.64 4.65 0.00 1.63 1.63 0.00 2.21 0.00 0.00 2.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.87 0.00 8 V 9.11 5.02 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 0.78 0.00 0.00 0.95 0.00 0.00 9 K 9.17 4.29 0.00 1.59 1.84 0.00 1.78 0.00 0.00 1.89 0.00 0.00 2.85 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 G 7.59 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 0.00 0.00 0.00 11 A 8.19 5.19 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 12 I 9.20 4.66 1.87 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 1.11 0.72 0.91 0.00 0.00 13 L 9.32 5.12 0.00 1.66 1.64 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.56 5.31 0.00 3.75 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 15 V 8.44 4.93 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 0.77 0.00 0.00 0.99 0.00 0.00 16 R 8.44 4.86 0.00 1.85 1.87 0.00 3.31 0.00 0.00 3.76 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *26 E 8.30 4.06 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 2.29 2.35 0.00 27 L 8.51 4.43 0.00 1.59 1.65 1.08 0.93 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 28 E 9.58 4.72 0.00 1.91 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 0.00 2.21 2.43 0.00 29 I 8.59 4.43 1.88 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 1.41 0.66 1.01 0.00 0.00 30 I 8.54 4.46 1.89 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 1.25 0.66 0.99 0.00 0.00 31 S 7.89 4.90 0.00 3.74 3.71 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 32 E 8.66 5.36 0.00 1.96 1.85 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 2.16 2.29 0.00 33 I 8.62 4.88 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.88 0.00 0.00 34 K 9.54 4.60 0.00 1.76 1.12 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.49 7.81 35 N 8.52 4.63 0.00 1.44 1.42 0.00 0.00 6.69 7.60 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 36 G 7.05 4.45 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 0.00 37 L 8.91 5.37 0.00 1.66 1.59 1.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.56 4.55 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 1.18 0.87 0.00 0.00 39 C 9.02 5.11 0.00 2.75 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 40 F 9.01 5.08 0.00 3.03 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 41 L 9.58 5.17 0.00 1.92 1.80 1.19 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.75 4.55 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 0.00 43 I 8.59 5.05 2.01 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.15 0.45 0.00 0.00 44 H 9.67 3.55 0.00 2.82 3.20 0.00 5.60 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 45 K 7.80 3.71 0.00 1.66 1.59 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.35 7.81 46 N 8.01 4.91 0.00 2.82 2.82 0.00 0.00 6.92 8.06 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 47 D 7.63 4.49 0.00 2.45 2.36 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 48 T 8.51 4.91 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 1.29 0.00 0.00 49 W 8.97 4.52 0.00 3.38 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 50 E 8.36 3.92 0.00 2.06 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 2.50 2.40 0.00 51 D 8.16 4.40 0.00 3.05 2.83 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 52 A 7.84 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.50 3.40 0.00 1.55 1.48 0.79 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.71 3.85 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.52 3.66 2.01 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 1.86 0.92 1.03 0.00 0.00 56 I 7.50 3.05 1.37 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.33 0.00 0.00 57 R 7.67 3.74 0.00 1.82 1.78 0.00 3.01 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.56 0.00 58 K 7.70 3.80 0.00 1.79 1.71 0.00 1.58 0.00 0.00 1.43 0.00 0.00 2.41 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.78 1.11 7.81 59 C 8.13 4.15 0.00 3.39 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.08 4.28 0.00 1.66 1.66 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.81 4.85 0.00 2.79 2.79 0.00 0.00 7.02 7.84 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 62 L 8.23 3.94 0.00 1.80 1.66 0.92 0.69 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 63 R 8.61 4.77 0.00 2.06 2.07 0.00 3.10 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.87 0.00 64 L 8.58 5.10 0.00 0.78 1.29 0.85 1.11 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 65 W 8.35 4.72 0.00 3.44 2.92 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 0.00 0.00 0.00 66 N 8.64 4.76 0.00 2.70 2.70 0.00 0.00 6.34 6.92 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 67 N 8.57 4.87 0.00 2.60 2.80 0.00 0.00 7.25 8.10 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 68 D 9.15 4.04 0.00 2.91 2.66 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 0.00 0.00 0.00 0.00 69 N 8.74 4.43 0.00 2.91 2.84 0.00 0.00 6.88 7.44 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 70 K 8.08 4.48 0.00 2.01 1.80 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.33 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.38 7.81 71 T 8.32 4.69 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 72 W 7.70 3.82 0.00 3.42 3.38 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 73 D 8.13 4.91 0.00 2.81 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 74 K 8.60 4.98 0.00 1.75 1.63 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.45 7.81 75 N 9.32 5.66 0.00 3.03 3.20 0.00 0.00 6.61 7.21 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 76 V 8.69 3.36 2.45 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 0.84 0.00 0.00 1.15 0.00 0.00 77 K 7.81 3.46 0.00 1.64 1.42 0.00 1.29 0.00 0.00 1.45 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 1.11 7.81 78 D 8.27 4.28 0.00 2.63 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 79 L 6.67 3.92 0.00 0.27 0.13 -0.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.33 4.37 0.00 2.84 2.87 0.00 0.00 7.15 7.10 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 81 Y 7.75 4.85 0.00 2.73 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 82 E 8.81 4.99 0.00 1.91 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 2.20 2.27 0.00 83 L 8.90 5.23 0.00 1.41 1.32 1.16 0.43 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 84 L 8.88 4.98 0.00 1.65 1.42 0.93 0.74 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 85 I 8.74 4.69 1.85 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.70 1.07 0.00 0.00 86 V 8.78 4.68 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 0.81 0.00 0.00 0.80 0.00 0.00 87 S 8.69 4.78 0.00 3.51 3.41 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 88 Q 9.70 4.56 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 89 F 8.87 4.51 0.00 3.35 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 6.85 4.00 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 0.12 0.00 0.00 91 L 7.72 4.03 0.00 1.76 1.57 1.08 0.78 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 92 F 8.19 4.74 0.00 3.26 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 93 G 8.21 3.49 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 94 N 9.46 4.73 0.00 2.84 2.77 0.00 0.00 6.45 6.70 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 95 T 8.32 4.66 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 1.18 0.00 0.00 96 K 8.00 3.97 0.00 1.80 1.91 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.43 7.81 97 K 7.44 4.05 0.00 1.68 1.69 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.48 7.81 98 G 7.42 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 99 N 8.58 4.46 0.00 2.71 2.85 0.00 0.00 6.68 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 0.00 100 K 7.65 4.32 0.00 1.71 1.72 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.48 7.81 101 P 0.00 4.16 0.00 1.28 1.61 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 102 D 8.52 4.54 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 0.00 103 F 8.52 5.37 0.00 3.30 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 0.00 104 H 8.39 4.39 0.00 3.33 3.58 0.00 5.56 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.72 3.84 0.00 1.74 1.58 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.56 4.03 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 0.00 107 K 8.31 3.98 0.00 1.82 1.70 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.34 7.81 108 E 8.75 4.12 0.00 1.97 1.86 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 2.39 2.34 0.00 109 P 0.00 4.74 0.00 2.19 2.17 0.00 3.56 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 110 N 8.08 4.44 0.00 2.74 2.86 0.00 0.00 7.19 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 0.00 111 E 8.12 4.25 0.00 2.03 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 2.42 2.38 0.00 112 A 8.69 4.19 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.44 2.73 0.00 1.19 1.59 0.42 0.75 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 0.00 114 I 7.22 3.67 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 1.00 0.00 0.00 115 F 8.34 4.05 0.00 3.41 3.29 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 0.00 116 Y 8.82 4.30 0.00 3.34 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 0.00 117 N 8.49 4.29 0.00 2.83 2.84 0.00 0.00 7.07 6.60 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 0.00 118 K 8.13 3.91 0.00 1.77 1.35 0.00 1.50 0.00 0.00 1.46 0.00 0.00 2.50 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.15 1.39 7.81 119 I 7.78 3.82 2.08 0.00 0.00 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 1.40 0.75 1.01 0.00 0.00 120 I 7.66 3.84 1.88 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.40 0.89 0.00 0.00 121 D 8.10 4.39 0.00 2.85 2.73 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 0.00 122 E 8.33 4.05 0.00 2.55 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 0.00 2.17 2.26 0.00 123 F 8.43 4.17 0.00 3.39 3.03 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 0.00 124 K 8.04 4.10 0.00 1.94 2.00 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 125 K 8.09 4.11 0.00 1.95 2.04 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 126 Q 8.13 4.28 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 127 Y 8.66 4.98 0.00 3.00 2.23 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 0.00 128 N 8.58 4.95 0.00 2.45 1.92 0.00 0.00 6.52 8.49 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 0.00 129 D 8.71 4.33 0.00 2.63 2.65 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 0.00 130 D 8.66 4.54 0.00 2.53 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 0.00 131 K 7.49 4.31 0.00 0.91 1.49 0.00 1.91 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.99 0.77 7.81 132 I 7.50 4.71 1.83 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 1.49 0.98 0.79 0.00 0.00 133 K 9.17 4.85 0.00 1.55 1.64 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.45 7.81 134 I 7.66 5.17 2.12 0.00 0.00 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 1.29 1.16 0.96 0.00 0.00 135 G 8.74 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 0.00 136 K 8.38 4.43 0.00 1.78 1.68 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 137 F 8.82 4.02 0.00 2.89 2.92 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 0.00 0.00 0.00 138 G 7.97 3.86 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 0.00 0.00 0.00 139 N 7.47 4.83 0.00 2.93 2.80 0.00 0.00 6.91 7.62 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 0.00 140 Y 8.53 4.11 0.00 2.94 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 0.00 141 M 7.47 4.91 0.00 1.77 1.74 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 142 N 9.00 4.79 0.00 2.86 2.67 0.00 0.00 6.98 8.03 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 0.00 143 I 8.28 4.81 1.92 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 1.33 0.78 0.95 0.00 0.00 144 D 9.30 4.60 0.00 2.57 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 0.00 145 V 8.35 4.61 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 0.86 0.00 0.00 1.05 0.00 0.00 146 T 8.81 4.46 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 1.21 0.00 0.00 147 N 8.58 4.73 0.00 2.62 2.78 0.00 0.00 6.98 8.06 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 0.00 148 D 10.51 4.37 0.00 2.66 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 0.00 149 G 8.53 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 0.00 0.00 0.00 150 P 0.00 4.40 0.00 2.21 2.08 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 151 V 8.12 4.46 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 1.14 0.00 0.00 0.93 0.00 0.00 152 T 8.71 5.21 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 153 I 8.96 4.61 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.98 0.93 0.00 0.00 154 Y 8.68 5.28 0.00 2.90 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 0.00 155 I 7.82 4.45 1.80 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 0.58 1.04 0.00 0.00 156 D 8.32 5.22 0.00 2.68 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.82 3.79 4.22 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 1.32 0.00 0.00 158 H 8.38 4.50 0.00 3.33 3.38 0.00 5.64 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 0.00 159 D 7.85 4.80 0.00 2.77 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 0.00 160 I 7.56 4.24 1.49 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.18 0.36 0.00 0.00 161 N 8.49 4.52 0.00 2.73 2.56 0.00 0.00 6.61 7.56 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 * Residues marked with a * may have inaccurate shift predictions.