NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 66 K 4.2332 8.3144 121.7896 55.9350 32.7476 175.0446 67 I 3.8871 8.2752 127.4129 60.5103 38.6633 169.9421 68 V 4.5169 8.9310 121.6125 59.8946 34.7858 174.6295 69 K 4.7534 8.1723 120.6153 54.1532 36.6646 174.9002 70 Y 4.1197 7.8987 123.3594 56.6405 39.1417 174.9062 71 P 4.1166 0.0000 0.0000 61.0644 31.5895 175.5313 72 D 3.7926 7.5460 118.8099 54.8265 41.8614 174.8019 73 P 4.4175 0.0000 0.0000 64.0476 31.9854 178.0250 74 I 3.6956 8.1070 120.8125 64.1312 37.7567 177.3939 75 L 4.2083 8.0879 119.3116 56.5095 41.4004 178.1402 76 R 4.5834 7.3946 115.8092 55.8164 31.2702 176.3686 77 R 4.2214 7.6371 117.2979 55.6722 31.2702 176.4539 78 R 4.1825 8.3433 121.7680 55.5899 30.1942 176.3453 79 S 4.4715 8.1014 123.0942 58.5703 63.8135 174.0292 80 E 4.6936 8.7851 121.5067 54.4082 32.1636 175.2584 81 E 4.5147 8.5826 122.6917 56.2241 30.3774 176.9256 82 V 3.7310 9.6200 127.4835 63.1700 32.0710 175.9192 83 T 4.5241 8.0237 112.0263 60.7265 70.1436 173.3400 84 N 4.8138 7.6908 119.0282 51.7998 39.8598 174.1856 85 F 4.6105 8.8427 123.7793 55.8639 38.4503 176.0897 86 D 4.7047 7.6956 132.5851 52.0074 40.1733 178.3427 87 D 4.3385 8.9525 114.0685 57.1156 41.0950 177.2779 88 N 4.1701 8.2585 117.1572 56.9580 38.7458 176.1043 89 L 3.8925 8.1784 121.1691 58.2790 41.8004 179.0988 90 K 4.0023 7.7095 117.7599 59.2562 31.8374 179.4520 91 R 3.8990 8.3825 119.4044 59.5334 29.8964 178.1239 92 V 3.5165 7.7086 116.7535 66.5823 31.4710 177.4871 93 V 3.6749 7.8061 116.8463 66.3781 31.5891 177.8303 94 R 4.3194 7.7773 117.8337 58.8490 29.9594 178.7008 95 K 4.8566 8.1753 121.5302 55.9872 32.0702 178.6767 *97 F 4.4250 8.0447 117.6247 57.2920 41.0753 176.3143 98 D 4.7960 8.3046 120.2378 57.9808 40.8577 179.8162 99 I 3.9282 8.0437 115.5278 62.7955 37.1152 177.6466 *101 Y 4.9183 7.9983 119.7990 58.3855 39.6352 176.8241 102 E 4.0053 8.7837 119.2517 59.7830 29.5961 178.2564 103 S 4.5113 8.3200 111.5554 58.0807 62.7904 174.5903 104 K 4.1942 7.9637 117.7334 57.9266 29.8941 175.3396 105 G 4.0351 7.7099 104.4695 43.3862 0.0000 172.8361 106 I 2.9986 7.7630 122.2053 63.0378 38.3088 175.4598 107 G 4.6207 7.2859 104.5029 45.1847 0.0000 171.8190 108 L 4.7540 9.0206 121.0979 53.6339 46.0173 174.4575 109 S 5.1794 8.4655 119.4904 56.3521 65.9135 175.0875 110 A 4.0107 8.4260 123.3234 54.6367 18.4994 178.5630 111 P 4.5269 0.0000 0.0000 65.0547 31.7113 177.9888 112 Q 4.1642 7.8276 115.6008 57.3024 28.6912 177.3713 113 V 4.4060 7.4918 110.7859 60.9831 32.4705 175.4826 114 N 4.3403 8.4479 116.2305 53.9940 37.7396 173.5594 115 I 4.2695 7.3660 117.5827 59.3929 38.9823 176.2180 116 S 4.6600 8.3708 125.0651 58.1460 60.5096 173.0268 117 K 4.8888 7.4843 118.7243 54.0017 35.9421 179.3176 118 R 4.4099 8.3709 122.3696 56.3686 27.5780 175.6567 119 I 5.1613 7.4939 121.0474 59.5808 41.7282 176.0363 120 I 5.0921 8.5664 125.3093 60.1269 41.5958 174.6525 121 V 5.0994 8.7988 119.2673 59.8837 36.4797 174.2403 122 W 5.2895 8.6984 118.2950 56.7192 32.0556 172.6781 123 N 5.5699 9.2889 117.7513 53.3341 40.6221 174.5417 124 A 4.3299 9.4316 129.9541 54.2894 19.0287 177.2638 125 L 4.9439 8.6130 116.5857 53.5329 41.7166 176.7292 126 Y 4.6652 8.2933 118.6572 58.9279 39.1922 178.3482 127 E 3.7966 7.7669 119.2294 58.3167 29.5488 177.4283 128 K 4.3278 7.5479 115.0660 56.0859 33.2991 177.9001 129 R 3.3031 7.2887 112.3078 57.1651 26.8463 174.3518 130 K 4.5856 7.6356 122.7940 53.6450 35.5158 175.8980 131 E 3.9867 8.7221 122.4326 58.1323 29.8253 176.5441 132 E 3.7931 8.7189 119.7471 57.4092 26.9275 174.8751 133 N 4.8188 7.7969 115.7739 53.3323 39.9836 174.2683 134 E 4.7753 7.9720 118.4172 55.7095 30.5705 176.0549 135 R 4.4643 8.9847 123.6551 54.2400 33.1915 175.0029 136 I 5.0591 7.5980 122.7109 59.5133 40.9067 174.8597 137 F 4.8685 9.7487 124.6418 55.8536 42.8732 173.7957 138 I 4.8903 9.0884 124.0883 60.1094 40.2846 175.6261 139 N 4.3022 8.5879 122.3966 53.7426 36.4015 171.6804 140 P 5.2551 0.0000 0.0000 63.3277 33.6960 176.9140 141 S 4.8243 8.7927 113.0822 57.7834 67.9143 174.6395 142 I 4.0898 8.3369 124.6261 60.1774 37.1194 175.7234 143 V 4.0393 8.5891 121.9433 63.4633 32.1788 176.3204 144 E 4.9045 7.8872 117.7744 55.6655 34.0774 174.0488 145 Q 4.7864 8.2579 118.0217 54.7476 31.4434 174.6101 146 S 4.3255 8.9960 116.6456 58.6300 63.5561 174.3931 147 L 4.1451 8.4798 120.9168 57.4306 42.2260 178.3153 148 V 3.6952 7.7559 118.4657 63.6263 32.1535 175.2031 149 K 5.2583 8.6116 125.7185 54.6572 36.3366 175.1613 150 L 4.6953 8.8919 120.9096 54.3623 44.2072 175.1547 151 K 4.6963 8.6293 121.4048 55.9987 32.6922 176.0897 152 L 4.9195 8.5047 123.9530 52.7515 46.4092 175.6423 153 I 4.6268 8.2770 121.4747 60.8399 37.9217 175.3514 154 E 4.7220 9.8724 127.0590 54.6073 32.9641 175.0583 155 G 4.4090 8.0275 107.7089 45.0876 0.0000 171.3456 156 C 4.5104 7.8769 116.8748 58.0302 34.1654 174.5515 157 L 4.1580 8.4658 126.3841 57.0001 41.6631 177.9914 158 S 4.5659 8.0566 113.8850 59.3978 64.0171 173.4329 159 F 5.1082 8.1235 118.9466 54.2309 38.9671 172.1027 160 P 4.4146 0.0000 0.0000 64.3422 31.9713 177.0687 161 G 3.9737 9.0697 110.0052 45.9279 0.0000 172.6534 162 I 4.5954 7.8471 119.8728 59.2211 39.3054 174.9230 163 E 5.2048 8.6092 123.2073 54.9925 33.5057 174.9319 164 G 4.1636 8.5876 107.7243 44.8771 0.0000 172.0568 165 K 4.8278 8.4779 120.6335 55.8601 33.1908 176.9775 166 V 4.3693 8.8002 124.6686 60.9066 34.7846 173.7706 167 E 4.7802 8.8242 129.0465 55.8703 30.2660 175.5258 168 R 4.8391 8.6250 124.7970 53.5074 34.9107 173.3987 169 P 4.7160 0.0000 0.0000 62.6769 30.7305 177.0435 170 S 4.2603 8.7318 116.3112 60.5324 62.8796 174.1089 171 I 4.9395 7.7996 120.2236 59.4077 40.4438 175.3130 172 V 4.7320 8.3437 118.5087 59.5381 35.4354 174.5964 173 S 5.0242 9.7179 119.8634 56.7917 64.1215 173.0726 174 I 5.0380 8.7711 121.3998 59.0775 40.8007 174.5029 175 S 5.3274 8.4241 116.8565 57.2343 66.5203 172.6603 176 Y 5.1637 7.7857 118.0342 57.2044 41.8203 172.0422 177 Y 5.1755 9.2404 116.3306 56.4216 41.9570 176.3373 178 D 4.9739 8.5639 121.9417 51.9651 41.6628 176.7587 179 I 3.7935 8.4487 118.1598 64.0704 37.7574 176.2661 180 N 4.5496 8.0902 115.4723 52.5956 38.9519 175.5331 181 G 2.5950 7.4156 105.5281 44.5494 0.0000 172.9451 182 Y 4.9144 7.7197 118.0501 56.0308 40.0041 175.0438 183 K 4.0132 8.7239 125.4638 56.6023 33.4068 175.4345 184 H 4.8666 8.5514 122.5297 53.9012 33.4665 172.1250 185 L 5.2787 8.2944 118.9056 53.2058 44.7895 176.2401 186 K 4.7351 8.8744 120.6289 55.2841 37.3056 174.7867 187 I 4.7645 8.3250 123.4808 59.8611 38.9903 174.9344 188 L 4.8385 8.6262 127.1178 52.9949 43.9671 175.8295 189 K 4.6742 8.3594 121.3118 55.6132 36.4124 178.1389 190 G 3.8937 8.2115 107.6632 46.0008 0.0000 175.7552 191 I 3.6077 8.3849 118.9704 64.9150 37.0418 177.7573 192 H 4.0690 8.0164 116.5614 58.7610 28.5465 177.4945 193 S 4.0551 8.0366 114.5494 61.7034 62.2055 175.5279 194 R 3.8845 7.7790 121.5474 58.6681 29.7153 178.0770 195 I 3.3364 7.4854 119.0341 64.4210 37.2234 178.0923 196 F 3.7369 7.1789 120.3466 61.4506 39.2425 177.2639 197 Q 4.1416 7.9170 117.7218 58.9544 28.2197 178.0024 198 H 3.9580 7.9459 118.5410 59.6345 30.2725 176.9768 199 E 4.1522 8.3660 120.3468 59.0447 29.1597 179.1482 200 F 3.9983 8.4480 121.2787 61.3724 39.4231 176.8897 201 D 4.1240 8.1313 118.3442 57.5525 40.4723 178.6049 202 H 4.2733 7.8357 116.7875 58.6543 28.5597 177.0890 203 L 4.2246 7.9394 118.9029 55.7841 41.2342 177.6546 204 N 4.8662 7.4864 114.9848 52.1311 39.5916 175.0413 205 G 3.9116 7.7652 108.5329 45.6413 0.0000 173.7277 206 T 4.4981 7.6230 115.9912 62.1972 69.7116 174.3049 207 L 4.8669 8.8355 125.0387 52.4936 45.2820 177.8809 208 F 4.1979 8.7474 115.6481 59.3483 38.2363 177.6810 209 I 3.1226 7.0767 114.1652 63.3938 37.4172 176.9570 210 D 4.3842 7.9601 120.7309 56.3338 40.8387 176.9209 211 K 4.2731 7.2872 118.7475 54.5858 31.4004 175.7109 *213 T 4.0669 7.5129 117.7669 62.6093 71.4512 173.5227 214 Q 3.8841 8.5472 125.0051 59.6805 28.9609 179.6824 215 V 3.5543 7.6857 118.2030 66.3150 31.4299 177.6119 216 D 4.3641 7.8101 116.5974 56.8255 40.8542 178.1643 217 K 3.9363 8.3280 120.9993 59.2439 32.0333 178.8254 218 K 4.0239 7.9251 119.5685 59.1698 31.9661 178.6777 219 K 4.0153 8.0254 119.0311 58.2583 32.3331 177.8510 220 V 4.3429 7.1611 115.6679 60.9070 32.0133 177.1581 221 R 3.8937 7.6573 120.2349 59.6277 30.0127 176.5339 222 P 4.2798 0.0000 0.0000 65.6864 31.4190 178.8287 223 K 4.0429 8.0266 116.6151 59.4503 32.0379 179.1748 224 L 4.1599 8.1046 119.2084 58.0843 41.5858 179.4311 225 N 4.4421 8.8893 116.7250 56.1998 38.4545 177.0115 226 E 3.9888 8.8131 121.2253 59.3644 29.7650 179.0084 227 L 4.0921 8.0652 118.9585 57.8606 41.5104 179.5092 228 I 3.6825 7.5885 118.9254 64.0298 37.1122 178.3317 229 R 4.0557 8.0837 119.7425 59.6131 30.1231 178.1879 230 D 4.3836 8.2180 118.7276 57.6844 40.5723 178.2899 231 Y 4.1117 8.0630 119.6084 60.2516 38.7311 177.7093 232 K 3.9717 7.9960 119.2460 58.6443 31.9716 178.9892 233 A 4.0076 7.4081 119.7271 54.8665 18.3562 179.1922 234 T 3.8820 7.1287 113.2861 65.5099 69.8597 174.3064 235 H 4.7592 7.7256 116.9562 54.2201 29.6298 173.5573 236 S 4.2907 7.8886 118.1089 58.6905 62.7249 174.6389 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 66 K 8.31 4.23 0.00 1.72 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.50 7.81 67 I 8.28 3.89 1.86 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 1.40 1.16 0.92 0.00 0.00 68 V 8.93 4.52 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 0.72 0.00 0.00 0.90 0.00 0.00 69 K 8.17 4.75 0.00 1.64 1.65 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.38 7.81 70 Y 7.90 4.12 0.00 1.68 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 0.00 0.00 0.00 0.00 71 P 0.00 4.12 0.00 1.50 0.49 0.00 2.84 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.25 0.00 72 D 7.55 3.79 0.00 2.66 2.49 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 73 P 0.00 4.42 0.00 2.22 2.21 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 74 I 8.11 3.70 1.86 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 1.28 1.30 0.94 0.00 0.00 75 L 8.09 4.21 0.00 2.06 1.76 0.90 0.62 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 76 R 7.39 4.58 0.00 1.75 1.93 0.00 3.38 0.00 0.00 3.36 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 77 R 7.64 4.22 0.00 1.70 1.84 0.00 3.14 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 78 R 8.34 4.18 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 79 S 8.10 4.47 0.00 3.86 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 80 E 8.79 4.69 0.00 1.88 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 2.24 2.22 0.00 81 E 8.58 4.51 0.00 1.96 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 82 V 9.62 3.73 1.76 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 0.30 0.00 0.00 0.82 0.00 0.00 83 T 8.02 4.52 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 84 N 7.69 4.81 0.00 2.60 2.96 0.00 0.00 6.95 7.45 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 85 F 8.84 4.61 0.00 2.87 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 86 D 7.70 4.70 0.00 2.77 2.57 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 87 D 8.95 4.34 0.00 2.75 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 88 N 8.26 4.17 0.00 2.81 2.98 0.00 0.00 6.74 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 89 L 8.18 3.89 0.00 1.70 1.63 0.76 0.56 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 90 K 7.71 4.00 0.00 2.06 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.67 7.81 91 R 8.38 3.90 0.00 2.08 1.92 0.00 3.14 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 92 V 7.71 3.52 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 0.82 0.00 0.00 0.97 0.00 0.00 93 V 7.81 3.67 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 1.00 0.00 0.00 1.00 0.00 0.00 94 R 7.78 4.32 0.00 2.06 2.12 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 95 K 8.18 4.86 0.00 1.93 1.89 0.00 1.67 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 *97 F 8.04 4.43 0.00 3.35 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 98 D 8.30 4.80 0.00 3.01 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 99 I 8.04 3.93 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 1.32 0.81 0.91 0.00 0.00 *101 Y 8.00 4.92 0.00 3.44 3.06 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 0.00 102 E 8.78 4.01 0.00 2.05 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 0.00 2.39 2.37 0.00 103 S 8.32 4.51 0.00 3.92 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 0.00 104 K 7.96 4.19 0.00 2.05 2.00 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.45 7.81 105 G 7.71 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 0.00 0.00 0.00 106 I 7.76 3.00 1.52 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 1.21 1.34 0.67 0.00 0.00 107 G 7.29 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 L 9.02 4.75 0.00 1.57 1.25 0.88 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.47 5.18 0.00 3.83 4.01 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 0.00 110 A 8.43 4.01 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 0.00 111 P 0.00 4.53 0.00 2.14 2.08 0.00 3.72 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 2.07 2.03 0.00 112 Q 7.83 4.16 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.19 2.05 0.00 113 V 7.49 4.41 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 0.63 0.00 0.00 0.96 0.00 0.00 114 N 8.45 4.34 0.00 2.85 2.95 0.00 0.00 6.94 8.80 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 0.00 115 I 7.37 4.27 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 1.27 0.49 0.91 0.00 0.00 116 S 8.37 4.66 0.00 3.89 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 0.00 117 K 7.48 4.89 0.00 1.59 1.61 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.31 7.81 118 R 8.37 4.41 0.00 2.02 1.98 0.00 3.10 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 119 I 7.49 5.16 1.85 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 1.34 1.15 0.91 0.00 0.00 120 I 8.57 5.09 2.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 1.09 0.00 0.00 121 V 8.80 5.10 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 0.57 0.00 0.00 0.26 0.00 0.00 122 W 8.70 5.29 0.00 3.58 3.31 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 0.00 0.00 0.00 0.00 123 N 9.29 5.57 0.00 3.00 3.01 0.00 0.00 7.12 8.11 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 0.00 124 A 9.43 4.33 1.44 0.00 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0.00 0.00 2.65 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.37 7.81 166 V 8.80 4.37 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 0.94 0.00 0.00 0.96 0.00 0.00 167 E 8.82 4.78 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 168 R 8.62 4.84 0.00 1.77 1.92 0.00 3.18 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 169 P 0.00 4.72 0.00 2.03 2.15 0.00 3.94 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 2.03 2.07 0.00 170 S 8.73 4.26 0.00 3.88 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 0.00 171 I 7.80 4.94 1.85 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 1.22 0.49 0.91 0.00 0.00 172 V 8.34 4.73 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 0.65 0.00 0.00 0.75 0.00 0.00 173 S 9.72 5.02 0.00 3.67 3.87 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 0.00 174 I 8.77 5.04 1.73 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.66 0.11 0.00 0.00 175 S 8.42 5.33 0.00 3.83 3.96 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 0.00 176 Y 7.79 5.16 0.00 3.49 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 Y 9.24 5.18 0.00 3.20 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 0.00 178 D 8.56 4.97 0.00 2.97 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 0.00 179 I 8.45 3.79 1.93 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 1.47 0.76 0.97 0.00 0.00 180 N 8.09 4.55 0.00 2.82 2.62 0.00 0.00 7.21 7.77 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 0.00 181 G 7.42 2.59 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 0.00 182 Y 7.72 4.91 0.00 3.28 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 0.00 183 K 8.72 4.01 0.00 1.60 1.53 0.00 1.11 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 0.92 7.81 184 H 8.55 4.87 0.00 1.70 2.85 0.00 5.61 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 L 8.29 5.28 0.00 1.42 1.52 0.86 0.77 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 0.00 186 K 8.87 4.74 0.00 1.90 1.72 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 187 I 8.33 4.76 1.87 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 1.34 0.81 0.89 0.00 0.00 188 L 8.63 4.84 0.00 1.42 1.53 0.43 0.45 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 0.00 189 K 8.36 4.67 0.00 1.59 1.65 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.44 7.81 190 G 8.21 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 0.00 191 I 8.38 3.61 1.69 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 1.59 0.75 0.83 0.00 0.00 192 H 8.02 4.07 0.00 3.42 3.66 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 S 8.04 4.06 0.00 3.91 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 0.00 194 R 7.78 3.88 0.00 2.03 1.78 0.00 3.17 0.00 0.00 3.11 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 195 I 7.49 3.34 0.56 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.11 0.38 0.00 0.00 196 F 7.18 3.74 0.00 2.88 2.84 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 0.00 197 Q 7.92 4.14 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 198 H 7.95 3.96 0.00 3.01 3.38 0.00 5.95 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 0.00 199 E 8.37 4.15 0.00 1.91 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 2.49 2.47 0.00 200 F 8.45 4.00 0.00 2.23 2.97 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 0.00 201 D 8.13 4.12 0.00 2.95 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 H 7.84 4.27 0.00 3.39 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 L 7.94 4.22 0.00 1.46 1.59 0.97 0.76 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 0.00 204 N 7.49 4.87 0.00 2.49 2.65 0.00 0.00 7.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 G 7.77 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 0.00 0.00 0.00 206 T 7.62 4.50 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 207 L 8.84 4.87 0.00 1.73 1.55 1.09 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 208 F 8.75 4.20 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 I 7.08 3.12 1.45 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.40 -0.09 0.00 0.00 210 D 7.96 4.38 0.00 2.70 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 0.00 211 K 7.29 4.27 0.00 1.71 1.70 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.32 7.81 *213 T 7.51 4.07 4.19 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 1.17 0.00 0.00 214 Q 8.55 3.88 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 215 V 7.69 3.55 2.05 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 0.99 0.00 0.00 0.91 0.00 0.00 216 D 7.81 4.36 0.00 2.58 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 0.00 217 K 8.33 3.94 0.00 1.92 1.87 0.00 1.39 0.00 0.00 1.38 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.41 7.81 218 K 7.93 4.02 0.00 1.95 1.89 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81 219 K 8.03 4.02 0.00 1.94 1.97 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 220 V 7.16 4.34 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 0.80 0.00 0.00 0.91 0.00 0.00 221 R 7.66 3.89 0.00 2.00 2.07 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 222 P 0.00 4.28 0.00 2.17 2.12 0.00 3.54 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 2.12 2.19 0.00 223 K 8.03 4.04 0.00 2.09 1.93 0.00 1.58 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.63 7.81 224 L 8.10 4.16 0.00 1.99 1.84 0.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 225 N 8.89 4.44 0.00 2.86 2.90 0.00 0.00 6.68 7.52 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 0.00 226 E 8.81 3.99 0.00 2.28 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 2.34 2.54 0.00 227 L 8.07 4.09 0.00 2.26 1.86 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 228 I 7.59 3.68 2.03 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 1.14 0.65 0.89 0.00 0.00 229 R 8.08 4.06 0.00 2.11 2.19 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 230 D 8.22 4.38 0.00 3.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 Y 8.06 4.11 0.00 3.02 2.99 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 0.00 0.00 0.00 232 K 8.00 3.97 0.00 1.77 1.83 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.68 7.81 233 A 7.41 4.01 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 234 T 7.13 3.88 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 0.80 0.00 0.00 235 H 7.73 4.76 0.00 3.04 3.11 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 S 7.89 4.29 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.