NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 C 4.3978 8.3444 120.8253 58.5879 32.4495 173.0788 57 S 3.9947 8.2840 118.4459 56.2760 62.4526 172.9173 58 P 4.3743 0.0000 0.0000 64.5536 32.4888 176.5640 59 G 4.0810 7.9799 107.6059 46.4153 0.0000 172.7334 60 I 4.8821 7.3026 121.2821 59.8506 38.8401 175.0238 61 W 5.1728 9.2199 126.0001 54.8449 33.3037 173.9884 62 Q 5.3121 9.1474 123.1562 54.4076 31.3192 174.0820 63 L 5.3367 8.9268 127.3983 53.6787 45.0293 175.0079 64 D 4.8518 9.0183 124.5616 53.1496 46.1115 173.7050 65 C 5.3779 8.5459 116.8376 58.3112 30.9003 173.6836 66 T 4.8039 8.8652 111.9034 60.2520 72.2716 172.1361 67 H 5.2834 8.5275 118.6441 54.1969 31.7344 173.7617 68 L 4.2759 8.7778 121.8258 55.4892 45.3563 174.7320 69 E 3.8747 9.9006 125.0035 57.4993 27.0582 175.5013 70 G 3.8948 8.5305 103.5926 45.8098 0.0000 173.7670 71 K 4.6171 8.0795 119.0778 54.2189 35.3365 174.6422 72 V 4.5745 7.9303 118.9110 61.2444 34.4008 174.1344 73 I 4.8541 8.4521 128.2209 59.4378 39.8912 174.2327 74 L 4.5788 8.7235 130.4122 53.9898 43.6024 175.2974 75 V 4.6488 8.9592 126.5311 61.1111 34.1953 173.7200 76 A 5.4841 9.2350 130.6833 50.3802 21.5030 175.3723 77 V 4.8656 9.0962 122.4781 61.2075 34.9041 173.9720 78 H 3.2568 8.7414 128.6246 54.9903 29.7840 175.4975 79 V 3.4193 7.6763 126.7140 66.1550 31.0274 177.4682 80 A 4.0010 7.6309 121.5068 54.2183 18.4156 178.0194 81 S 4.3926 7.8354 108.5306 57.7277 64.5637 175.4659 82 G 3.8947 8.2791 108.2015 45.0731 0.0000 172.7697 83 Y 4.4244 7.8598 121.8467 57.6769 39.8222 174.7876 84 I 5.1579 8.2419 126.1019 59.5349 40.5665 174.7878 85 E 4.9319 9.1633 123.6625 54.7782 33.0400 174.8863 86 A 5.6629 8.5269 123.3103 50.5632 22.8638 174.7102 87 E 4.8681 8.7619 116.7887 54.8803 34.7342 174.6099 88 V 4.7774 8.4994 121.5454 61.2706 32.9887 174.7681 89 I 4.5919 8.7352 121.7885 58.4854 40.1642 174.8168 90 P 4.1835 0.0000 0.0000 65.4025 31.2847 176.1931 91 A 4.4274 7.2507 116.0566 50.9696 21.6590 175.3983 92 E 4.1296 8.7201 120.0407 56.6952 29.8690 177.6349 93 T 4.8717 8.2411 113.7455 58.9428 73.3690 174.9810 94 G 3.7023 8.6688 109.0328 48.1349 0.0000 176.0605 95 Q 4.0792 8.0731 119.8204 58.9531 28.7848 178.6224 96 E 4.1456 8.4184 119.6034 59.7079 29.5193 179.5272 97 T 3.9745 8.1456 115.7138 66.5350 68.4779 176.6441 98 A 4.0953 8.5287 123.1791 55.3173 18.4313 179.0883 99 Y 4.0658 8.3251 118.1346 60.8195 38.8134 177.9274 100 F 3.8764 8.6427 121.7020 61.1678 39.3820 177.1042 101 L 4.0458 8.2974 118.7007 57.7677 41.3989 179.2727 102 L 3.9333 8.0805 120.3278 57.8289 41.8259 179.0747 103 K 3.6279 7.7148 118.4878 59.3378 31.9722 178.9479 104 L 3.6059 7.7116 120.5111 58.0689 41.7233 178.8215 105 A 4.2556 8.0486 119.5803 54.2701 18.4022 179.0181 106 G 3.6865 7.5131 102.2979 46.0122 0.0000 174.6509 107 R 4.0486 7.0017 118.5871 56.5396 31.4369 176.5172 108 W 5.1695 7.6349 115.1823 54.0303 32.8036 174.1175 109 P 4.5168 0.0000 0.0000 62.0097 29.4492 173.6756 110 V 4.1574 8.1395 127.4513 63.5710 32.2935 175.7967 111 K 4.6461 9.2970 131.4279 56.5618 34.0663 172.9012 112 T 5.7627 7.7749 109.0833 58.7942 72.7029 173.0461 113 V 5.1415 8.3279 122.1652 61.5572 34.9594 173.5849 114 H 5.3448 9.5518 127.1375 54.9048 33.0384 172.2842 115 T 4.9487 7.8166 115.8928 60.8079 70.6527 172.9554 116 D 4.6994 9.1682 123.6569 54.0403 41.2327 177.0881 117 N 4.7589 7.6755 119.3607 50.8736 39.5455 174.5240 118 G 3.7045 8.4956 114.1050 48.0815 0.0000 173.6062 119 S 4.2260 8.0620 114.0577 60.8773 63.1063 176.0193 120 N 4.2963 7.9824 118.1978 55.6216 38.2460 175.6424 121 F 5.2414 7.8554 114.9081 57.5641 39.3616 176.6284 122 T 4.1329 7.9216 118.4526 64.7504 67.5884 176.1673 123 S 4.3636 7.9683 115.9087 58.2969 65.0153 174.9067 124 T 3.9128 8.6246 120.9740 67.3940 68.2713 176.8257 125 T 3.9858 7.8902 110.9273 64.8534 68.7835 176.6068 126 V 3.6768 7.8797 120.8596 65.6286 31.5220 178.1631 127 K 4.0118 8.3018 118.1363 59.3914 31.8052 179.1786 128 A 4.2296 8.6807 121.3420 55.1421 18.3165 179.5737 129 A 4.1304 8.1806 119.3366 55.5647 18.3971 179.6847 130 C 4.1015 8.4037 115.3990 62.5369 28.0492 175.9862 131 W 4.2054 8.7060 130.3726 60.3378 30.1060 177.7549 132 W 2.9030 8.5852 126.8023 60.0362 30.3236 177.2586 133 A 4.0552 8.1499 117.6448 52.0197 18.1907 177.3241 134 G 3.5907 7.4832 105.1960 46.4216 0.0000 173.6575 135 I 4.5941 7.6968 119.4348 59.4694 39.1391 175.7543 136 K 4.7288 8.6931 123.8305 54.5331 35.9057 175.1125 137 Q 4.5012 8.4939 123.5908 55.4983 30.2123 174.8383 138 E 4.2781 8.5592 127.7701 54.7281 30.2024 175.8402 139 F 4.2224 9.2173 127.0077 58.4371 38.5855 177.2379 140 A 3.2401 8.6749 129.0632 52.8107 20.4412 178.7046 141 I 3.3844 7.6163 121.0299 61.0337 32.0997 175.3946 142 P 4.0703 0.0000 0.0000 62.6658 27.7682 173.0328 *143 Y 4.0156 7.6237 118.7300 57.6783 36.8400 178.8022 144 N 4.0589 8.7209 122.7032 52.2991 39.9873 172.8313 145 P 4.2994 0.0000 0.0000 66.6010 31.5595 179.2766 146 Q 3.9978 7.9694 118.6350 60.2658 28.1697 180.2231 147 S 4.3159 8.1349 119.4939 62.2707 62.9722 177.4320 148 Q 4.0264 8.6134 123.3168 60.1466 27.9071 180.2797 149 A 4.2174 7.8918 121.8478 54.8720 18.3679 179.9617 150 V 3.4825 7.6304 116.7439 66.2765 31.7020 178.1924 151 I 3.6868 7.5910 119.4070 64.6395 36.9906 178.3636 152 E 3.9913 8.2632 119.2449 59.3077 29.2112 179.3824 153 S 4.0900 7.9809 112.9118 61.6860 62.4283 176.1864 154 M 4.0474 8.5666 121.7958 58.2980 31.6558 178.5300 155 N 4.3409 8.3737 119.1177 56.7788 38.8741 178.0395 156 K 3.8915 8.4987 125.3952 59.9142 31.7220 180.2869 157 E 4.1341 8.3227 120.9352 58.9831 29.4428 178.6692 158 L 3.9100 8.0686 120.3921 58.1470 42.2822 178.8940 159 K 3.9054 8.0428 119.5375 59.1745 32.0271 178.7708 160 K 3.9497 7.9870 119.7631 59.5758 32.2169 178.9440 161 I 3.9955 7.8610 121.5350 63.7999 37.0629 178.2886 162 I 3.8096 8.1162 121.1152 64.5006 36.7640 178.5350 163 G 3.6870 7.6869 104.4091 48.1154 0.0000 175.4069 164 Q 4.1733 8.2323 120.5009 57.9744 28.6963 178.2254 165 V 4.2396 7.7822 111.1129 60.8297 31.7055 177.5883 166 R 3.8082 7.8626 122.7958 60.2745 29.9289 178.0117 167 D 4.7371 8.0155 112.6669 53.5911 39.7395 177.9131 168 Q 4.4156 8.2603 119.4036 56.8450 29.3941 175.1412 169 A 4.7056 7.5670 120.8555 51.5681 22.2341 176.8975 170 E 4.0437 8.9131 118.2944 59.0992 30.4793 177.0004 171 H 4.8719 7.7177 117.1918 54.1538 31.4127 176.1136 172 L 4.0068 8.5024 125.7291 58.2482 41.9794 179.6008 173 K 3.9925 8.0713 118.2861 60.1960 32.4016 179.2197 174 T 3.8216 7.9133 116.1762 66.5182 68.4528 176.3611 175 A 3.9878 7.9258 122.3081 55.0328 18.2820 179.8767 176 V 3.5551 8.0571 117.0835 66.3775 31.6610 178.3388 177 Q 4.1205 8.1929 117.5504 58.8190 28.4549 178.4675 178 M 4.0270 8.3489 120.1497 58.1919 31.8674 178.5129 179 A 4.0330 8.4511 121.4543 55.0090 18.4267 179.8823 180 V 3.5522 8.0824 116.9239 66.0761 31.6693 177.9770 181 F 4.1348 8.3700 120.3859 61.4300 39.0225 177.1631 182 I 3.8975 8.0848 118.2642 64.6474 37.1014 177.3744 183 H 4.2152 8.5474 119.3895 59.7355 29.7197 177.0257 184 N 4.3499 8.5587 117.7248 55.2352 38.1672 176.5988 185 K 4.4208 7.4469 117.2815 55.0297 33.0782 176.4052 186 K 4.0997 7.2922 122.9432 55.8521 32.4608 176.0331 187 R 4.5816 8.4596 126.0202 56.1046 30.7156 176.4118 188 K 4.4249 8.4343 120.6630 56.2079 33.1068 176.1038 *193 G 3.7572 7.8393 105.0853 46.3846 0.0000 172.0773 194 Y 5.1018 8.2750 117.8629 55.6920 42.3013 175.2340 195 S 5.4191 9.7006 116.0659 56.8334 64.9516 175.2243 196 A 4.2100 8.7417 122.0543 55.3564 17.8108 180.2010 197 G 3.7248 8.3425 104.2302 48.0324 0.0000 175.8703 198 E 4.0277 8.4297 121.1021 59.1279 29.4143 179.6505 199 R 3.7967 8.1839 118.2246 59.1907 30.0716 178.9289 200 I 3.3807 7.9794 118.7191 64.1494 37.8216 178.3574 201 V 3.6801 7.4160 113.2033 64.2400 31.2384 178.0028 202 D 4.2386 7.9989 117.8116 57.4170 41.0833 178.3839 203 I 3.6453 7.8155 120.2954 64.5828 36.9131 178.6223 204 I 3.7636 7.8028 119.2151 64.2086 37.3479 178.0906 205 A 4.1462 8.2618 121.8629 55.5520 18.2349 179.8665 206 T 3.8433 8.2406 114.6336 66.7312 68.2626 176.4094 207 D 4.4796 7.8733 118.9697 56.8307 41.2403 177.9110 208 I 4.0221 7.3129 119.6322 63.3553 37.9510 176.4638 209 Q 4.2770 7.5792 121.1932 54.7855 27.3525 176.6189 210 T 4.1161 7.9362 113.3379 60.5339 68.3453 172.9530 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 56 C 8.34 4.40 0.00 2.86 2.78 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 57 S 8.28 3.99 0.00 3.96 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 58 P 0.00 4.37 0.00 2.25 2.16 0.00 3.80 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 2.13 1.95 0.00 59 G 7.98 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.30 4.88 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.18 0.97 0.00 0.00 61 W 9.22 5.17 0.00 3.34 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 62 Q 9.15 5.31 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 63 L 8.93 5.34 0.00 1.85 1.75 0.72 1.25 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 64 D 9.02 4.85 0.00 2.56 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 0.00 0.00 0.00 0.00 65 C 8.55 5.38 0.00 2.90 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 66 T 8.87 4.80 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 1.19 0.00 0.00 67 H 8.53 5.28 0.00 2.99 3.25 0.00 5.94 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 68 L 8.78 4.28 0.00 1.63 1.46 0.93 1.30 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 69 E 9.90 3.87 0.00 2.14 2.01 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 2.23 2.29 0.00 70 G 8.53 3.89 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 0.00 71 K 8.08 4.62 0.00 1.79 1.71 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 72 V 7.93 4.57 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 0.89 0.00 0.00 0.89 0.00 0.00 73 I 8.45 4.85 1.84 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 0.65 0.91 0.00 0.00 74 L 8.72 4.58 0.00 1.55 1.23 0.64 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.96 4.65 2.06 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 0.91 0.00 0.00 0.96 0.00 0.00 76 A 9.24 5.48 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.10 4.87 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 0.95 0.00 0.00 0.95 0.00 0.00 78 H 8.74 3.26 0.00 1.40 2.53 0.00 5.66 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.68 3.42 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 0.67 0.00 0.00 0.88 0.00 0.00 80 A 7.63 4.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.84 4.39 0.00 4.08 3.89 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 82 G 8.28 3.89 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 0.00 83 Y 7.86 4.42 0.00 2.96 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 84 I 8.24 5.16 1.76 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.89 0.95 0.00 0.00 85 E 9.16 4.93 0.00 2.20 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 2.47 2.71 0.00 86 A 8.53 5.66 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 87 E 8.76 4.87 0.00 2.07 1.94 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 2.64 2.55 0.00 88 V 8.50 4.78 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 0.84 0.00 0.00 0.96 0.00 0.00 89 I 8.74 4.59 1.90 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 1.36 0.78 0.98 0.00 0.00 90 P 0.00 4.18 0.00 2.06 2.18 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 91 A 7.25 4.43 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.72 4.13 0.00 1.99 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 2.29 2.28 0.00 93 T 8.24 4.87 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 1.22 0.00 0.00 94 G 8.67 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 95 Q 8.07 4.08 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 96 E 8.42 4.15 0.00 2.18 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 0.00 2.36 2.52 0.00 97 T 8.15 3.97 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 98 A 8.53 4.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.07 0.00 3.16 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 0.00 100 F 8.64 3.88 0.00 3.28 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 0.00 101 L 8.30 4.05 0.00 1.93 1.70 0.87 0.31 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 0.00 102 L 8.08 3.93 0.00 1.74 1.68 0.95 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 103 K 7.71 3.63 0.00 1.50 1.46 0.00 1.45 0.00 0.00 1.16 0.00 0.00 2.42 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.98 0.74 7.81 104 L 7.71 3.61 0.00 1.32 1.55 0.45 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.05 4.26 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 G 7.51 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 0.00 107 R 7.00 4.05 0.00 1.76 1.39 0.00 3.07 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.00 108 W 7.63 5.17 0.00 3.14 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 0.00 109 P 0.00 4.52 0.00 2.31 2.28 0.00 4.10 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 110 V 8.14 4.16 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 0.75 0.00 0.00 0.62 0.00 0.00 111 K 9.30 4.65 0.00 1.46 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.29 1.23 7.81 112 T 7.77 5.76 4.25 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 1.23 0.00 0.00 113 V 8.33 5.14 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 1.31 0.00 0.00 0.97 0.00 0.00 114 H 9.55 5.34 0.00 3.36 3.27 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.82 4.95 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 0.73 0.00 0.00 116 D 9.17 4.70 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 7.68 4.76 0.00 2.56 2.50 0.00 0.00 7.06 8.13 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 0.00 118 G 8.50 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 0.00 119 S 8.06 4.23 0.00 4.02 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 0.00 120 N 7.98 4.30 0.00 2.33 2.53 0.00 0.00 6.86 7.02 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 0.00 121 F 7.86 5.24 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.92 4.13 4.54 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 1.25 0.00 0.00 123 S 7.97 4.36 0.00 4.13 4.03 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 T 8.62 3.91 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 1.21 0.00 0.00 125 T 7.89 3.99 4.29 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 1.24 0.00 0.00 126 V 7.88 3.68 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 1.16 0.00 0.00 1.13 0.00 0.00 127 K 8.30 4.01 0.00 2.11 1.91 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.63 7.81 128 A 8.68 4.23 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 0.00 129 A 8.18 4.13 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 0.00 130 C 8.40 4.10 0.00 3.01 3.19 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 0.00 131 W 8.71 4.21 0.00 3.41 3.60 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 0.00 132 W 8.59 2.90 0.00 3.31 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.15 4.06 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 0.00 134 G 7.48 3.59 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 0.00 135 I 7.70 4.59 1.82 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 1.19 0.60 0.89 0.00 0.00 136 K 8.69 4.73 0.00 1.64 1.68 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.51 7.81 137 Q 8.49 4.50 0.00 1.89 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.94 0.00 0.00 0.00 0.00 0.00 1.16 2.25 0.00 138 E 8.56 4.28 0.00 2.00 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 2.28 2.29 0.00 139 F 9.22 4.22 0.00 3.24 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.67 3.24 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.62 3.38 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 1.27 0.68 0.91 0.00 0.00 142 P 0.00 4.07 0.00 2.25 2.05 0.00 3.76 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 1.83 1.57 0.00 *143 Y 7.62 4.02 0.00 2.29 2.21 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 0.00 144 N 8.72 4.06 0.00 2.76 2.72 0.00 0.00 7.13 7.71 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 0.00 145 P 0.00 4.30 0.00 2.18 2.09 0.00 3.64 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 2.11 2.16 0.00 146 Q 7.97 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 147 S 8.13 4.32 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 8.61 4.03 0.00 2.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 149 A 7.89 4.22 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 0.00 150 V 7.63 3.48 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 0.89 0.00 0.00 151 I 7.59 3.69 2.03 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 1.52 0.73 0.92 0.00 0.00 152 E 8.26 3.99 0.00 2.02 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 2.33 2.63 0.00 153 S 7.98 4.09 0.00 3.96 4.03 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 0.00 154 M 8.57 4.05 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.91 0.00 155 N 8.37 4.34 0.00 2.94 2.85 0.00 0.00 7.12 6.30 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 0.00 156 K 8.50 3.89 0.00 1.70 1.83 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.33 7.81 157 E 8.32 4.13 0.00 2.15 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 2.37 2.36 0.00 158 L 8.07 3.91 0.00 1.81 1.73 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.04 3.91 0.00 1.92 1.79 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.49 7.81 160 K 7.99 3.95 0.00 1.91 1.96 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 161 I 7.86 4.00 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.43 0.95 0.00 0.00 162 I 8.12 3.81 2.03 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 1.47 1.08 0.92 0.00 0.00 163 G 7.69 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 0.00 164 Q 8.23 4.17 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 165 V 7.78 4.24 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 0.79 0.00 0.00 1.03 0.00 0.00 166 R 7.86 3.81 0.00 2.11 1.94 0.00 3.13 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 167 D 8.02 4.74 0.00 2.74 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 0.00 168 Q 8.26 4.42 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 169 A 7.57 4.71 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 0.00 170 E 8.91 4.04 0.00 2.00 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 1.90 0.00 171 H 7.72 4.87 0.00 3.17 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 8.50 4.01 0.00 1.94 1.69 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 173 K 8.07 3.99 0.00 2.05 2.08 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 174 T 7.91 3.82 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 1.21 0.00 0.00 175 A 7.93 3.99 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 0.00 176 V 8.06 3.56 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.03 0.00 0.00 177 Q 8.19 4.12 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 178 M 8.35 4.03 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.42 0.00 179 A 8.45 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.08 3.55 2.32 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 1.07 0.00 0.00 1.00 0.00 0.00 181 F 8.37 4.13 0.00 3.24 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 0.00 182 I 8.08 3.90 2.11 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 1.56 0.94 0.98 0.00 0.00 183 H 8.55 4.22 0.00 3.19 3.54 0.00 5.58 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 0.00 184 N 8.56 4.35 0.00 2.78 2.90 0.00 0.00 7.05 8.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 K 7.45 4.42 0.00 1.67 1.72 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.11 7.81 186 K 7.29 4.10 0.00 1.96 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 187 R 8.46 4.58 0.00 1.80 1.77 0.00 3.13 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 188 K 8.43 4.42 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.32 7.81 *193 G 7.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.28 5.10 0.00 2.87 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 0.00 195 S 9.70 5.42 0.00 4.04 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 0.00 196 A 8.74 4.21 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 0.00 197 G 8.34 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 0.00 198 E 8.43 4.03 0.00 2.40 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 0.00 2.41 2.42 0.00 199 R 8.18 3.80 0.00 1.96 1.92 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.93 0.00 200 I 7.98 3.38 1.34 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 0.64 0.79 0.24 0.00 0.00 201 V 7.42 3.68 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.04 0.00 0.00 202 D 8.00 4.24 0.00 2.76 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 0.00 203 I 7.82 3.65 1.91 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 1.46 0.53 0.88 0.00 0.00 204 I 7.80 3.76 1.99 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 1.65 0.96 1.03 0.00 0.00 205 A 8.26 4.15 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 0.00 206 T 8.24 3.84 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 1.19 0.00 0.00 207 D 7.87 4.48 0.00 2.80 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 0.00 208 I 7.31 4.02 2.00 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 1.53 0.93 0.90 0.00 0.00 209 Q 7.58 4.28 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 210 T 7.94 4.12 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 * Residues marked with a * may have inaccurate shift predictions.