NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 5.0799 8.3033 117.7877 55.4993 31.5417 172.3160 1 M 4.7874 7.8954 118.8780 53.6623 34.1483 173.6313 2 K 4.8836 9.0884 120.3640 54.6480 37.6727 174.4843 3 L 4.8415 8.9244 125.3633 53.5895 44.3610 174.9652 4 I 4.8800 8.4136 126.9154 59.8552 39.8107 174.5536 5 T 4.7623 8.4542 123.6398 61.3616 71.3096 172.8139 6 A 4.8579 8.6777 128.4989 50.0465 21.9843 174.8632 7 I 4.6218 8.8069 124.4774 60.0457 38.8855 175.5432 8 V 4.9021 8.3658 119.5808 59.0142 36.9290 175.3741 9 K 4.2147 8.2114 121.0964 55.6742 32.7251 177.0323 10 P 4.2659 0.0000 0.0000 64.9826 31.4254 177.6120 11 F 4.7193 7.5593 111.1786 57.2075 38.4900 176.6239 12 T 4.2754 7.2184 111.9558 62.0261 69.1184 175.9963 13 L 3.8401 7.2374 123.5026 58.6811 42.0281 178.5077 14 D 4.3489 8.0638 117.8320 57.4939 40.7503 178.3211 15 D 4.3301 8.0497 118.7477 57.4340 40.8208 178.9225 16 V 3.5176 8.3200 118.9055 65.7141 31.5346 177.7081 17 K 3.8402 8.3651 120.0483 59.9664 31.9978 178.8285 18 T 3.8967 7.8503 109.8258 64.8008 68.2562 176.2702 19 S 4.0632 8.3901 116.2702 61.1256 62.3016 176.3377 20 L 4.0021 8.2070 122.2678 57.7346 41.5714 179.2808 21 E 4.1389 8.2841 117.5838 59.4874 29.2311 178.8671 22 D 4.3466 8.1326 119.0381 57.1954 40.9635 178.3686 23 A 4.1745 7.5477 119.7238 53.4195 18.3608 178.4651 24 G 3.8709 7.6697 104.4918 45.2363 0.0000 173.4052 25 V 3.8206 7.5017 119.9909 62.3247 31.5039 175.6258 26 L 4.4921 8.4814 126.5322 53.4988 41.7427 176.3603 27 G 4.0642 7.3439 109.0110 46.1280 0.0000 171.5667 28 M 4.7972 8.0042 116.3131 54.5797 34.3589 173.6180 29 T 4.6918 8.8324 109.2378 59.8138 71.6611 173.2141 30 V 5.0727 8.3740 123.8448 61.3362 34.6300 174.3878 31 S 4.7524 8.7229 119.6218 56.9355 66.8145 172.7965 32 E 4.8383 8.7090 120.8151 56.0767 30.5429 175.7100 33 I 4.7156 8.7579 116.1882 59.2405 41.9720 173.7515 34 Q 4.9210 8.6115 120.5906 53.9719 30.9949 175.5330 35 G 4.2826 9.3136 111.9960 44.5468 0.0000 170.9732 36 Y 4.7340 8.5494 126.2184 56.3184 40.1793 175.4730 37 G 3.5941 7.2258 113.4851 45.6763 0.0000 172.9880 38 R 4.0512 8.1651 112.9011 56.2044 29.7452 176.0234 *51 Y 4.3043 7.5385 114.0819 58.8579 39.4254 175.8949 52 S 4.7330 8.5267 117.4839 56.9227 65.1851 175.1729 53 V 3.7938 8.2923 118.9001 64.7962 31.1579 177.2418 54 D 4.5441 8.0845 119.1393 56.4056 41.0303 176.2716 55 F 4.7994 7.8686 118.0075 56.9643 40.0279 175.5874 56 V 4.5571 8.6156 122.0095 60.3496 34.8726 172.9454 57 P 4.9757 0.0000 0.0000 62.9112 32.0776 175.4995 58 K 4.8137 8.9483 121.6642 55.0633 37.5178 175.1559 59 V 4.7344 8.6060 114.1816 59.7021 34.7979 175.1997 60 R 4.7353 8.9496 125.7965 55.2468 31.6124 174.8138 61 I 4.8287 8.4667 128.0048 59.7372 39.3999 174.4183 62 E 5.0814 9.2792 127.2608 54.5188 32.4495 175.4590 63 V 4.5508 8.3980 117.5571 59.2947 35.0104 175.1358 64 V 4.3887 8.4618 126.2813 62.8881 32.2922 175.3226 65 V 4.6735 8.8190 120.1300 59.3424 36.8638 174.4395 66 D 5.0678 8.5528 121.2139 54.3198 41.4755 177.5733 67 D 4.6246 8.9743 122.0976 55.6302 39.2299 177.8327 68 S 4.2242 8.2303 113.8424 60.6699 63.6151 174.8409 69 I 4.3236 7.6214 119.8045 61.0309 37.5501 177.7608 70 V 3.6788 7.6546 122.9309 64.9202 31.4928 177.9070 71 D 4.3557 8.0536 119.1690 56.8359 40.6430 178.6500 72 K 3.9143 7.9240 119.6419 59.3515 32.3835 178.8344 73 V 3.4984 7.5410 118.0252 66.0348 31.4110 177.7894 74 V 3.5640 8.0232 118.2721 66.5187 31.3052 177.8189 75 D 4.3480 8.1847 118.5104 57.0275 40.6178 178.8472 76 S 4.0815 8.5068 115.4047 61.5370 62.8339 176.4878 77 I 3.5998 7.7501 123.7126 63.9568 36.9608 178.2073 78 V 3.5359 7.9132 119.0153 66.2299 31.0568 177.8491 79 R 3.9445 8.2919 116.7269 59.5855 29.9871 177.8920 80 A 4.2046 7.8976 118.4479 54.2182 18.8254 178.5712 81 A 4.1350 8.0283 117.3883 51.9825 18.9860 177.4067 82 R 4.1022 7.0817 117.6513 56.1228 30.8447 175.5843 83 T 4.3596 9.3973 122.0396 64.7642 70.2326 175.7801 84 G 4.0537 8.7232 107.1073 44.9897 0.0000 173.3959 85 K 4.5641 7.4826 118.1722 54.1761 34.0310 176.2861 86 I 3.6941 7.9840 114.8013 62.6882 37.8621 176.1778 87 G 4.0317 8.8424 110.7662 45.6200 0.0000 174.2617 88 D 4.2904 7.8603 120.5271 55.5764 41.2906 176.2916 89 G 4.3455 9.2490 103.0352 44.7874 0.0000 172.0252 90 K 4.8159 8.3134 116.1145 55.4854 36.6815 175.3174 91 V 4.8526 8.4476 120.2743 60.9226 34.0182 174.4102 92 W 5.3897 9.0986 124.5846 54.6221 31.9207 174.3776 93 V 5.2481 8.5581 119.2887 60.3044 33.9798 174.7659 94 S 4.9193 8.8558 115.6439 56.2439 66.6161 171.7539 95 P 4.7538 0.0000 0.0000 62.9831 32.2364 175.5858 96 V 4.3332 7.8947 120.9075 61.4542 33.2014 175.1891 97 D 4.5322 9.1017 128.4744 57.2059 41.0331 176.5726 98 T 4.7139 7.3383 105.4659 60.2387 71.9046 172.4517 99 I 4.6483 8.1164 121.9253 59.3892 41.6155 173.6094 100 V 4.8834 8.3588 128.4583 60.9399 34.1136 174.5970 101 R 4.0929 8.8179 129.0125 55.8899 30.4997 177.1624 102 V 3.5848 8.7001 126.7429 66.1226 31.9090 177.0010 103 R 4.0304 8.1773 118.4942 59.1190 30.2113 176.6471 104 T 4.2310 7.7217 105.1020 64.3512 69.9453 175.3461 105 G 4.0787 8.1118 107.8354 44.2056 0.0000 173.7843 106 E 3.9772 8.3374 120.7081 56.7807 29.9414 176.5910 107 R 5.3959 7.7732 120.8378 54.1763 34.0100 177.9453 108 G 3.6838 8.4312 107.0940 46.5699 0.0000 175.7471 109 H 4.1155 8.8905 118.5656 59.3660 29.9662 177.0725 110 D 4.4207 8.1052 116.9786 56.0956 40.7005 176.6533 111 A 4.3056 7.9684 121.4289 52.8229 19.3987 177.3253 112 L 4.1976 7.5601 120.1677 54.8634 41.7286 176.6188 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 0 H 8.30 5.08 0.00 3.13 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 7.90 4.79 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.60 0.00 2 K 9.09 4.88 0.00 1.63 1.65 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.52 7.81 3 L 8.92 4.84 0.00 1.74 1.53 0.89 0.96 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 4 I 8.41 4.88 1.90 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 1.19 0.83 0.80 0.00 0.00 5 T 8.45 4.76 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 0.62 0.00 0.00 6 A 8.68 4.86 1.06 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 7 I 8.81 4.62 1.93 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 1.16 1.48 0.94 0.00 0.00 8 V 8.37 4.90 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 0.67 0.00 0.00 0.83 0.00 0.00 9 K 8.21 4.21 0.00 1.20 0.96 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.46 7.81 10 P 0.00 4.27 0.00 2.25 2.12 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.08 0.00 11 F 7.56 4.72 0.00 3.13 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 12 T 7.22 4.28 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 0.74 0.00 0.00 13 L 7.24 3.84 0.00 1.85 1.71 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.06 4.35 0.00 2.75 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 15 D 8.05 4.33 0.00 2.83 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 16 V 8.32 3.52 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.88 0.00 0.00 17 K 8.37 3.84 0.00 1.81 2.00 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 18 T 7.85 3.90 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 1.23 0.00 0.00 19 S 8.39 4.06 0.00 4.06 3.99 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 20 L 8.21 4.00 0.00 1.84 1.67 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.28 4.14 0.00 2.20 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 0.00 2.46 2.50 0.00 22 D 8.13 4.35 0.00 2.81 2.77 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 23 A 7.55 4.17 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 24 G 7.67 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 0.00 0.00 0.00 25 V 7.50 3.82 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 0.80 0.00 0.00 0.92 0.00 0.00 26 L 8.48 4.49 0.00 1.64 1.65 0.92 0.92 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 27 G 7.34 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 28 M 8.00 4.80 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 29 T 8.83 4.69 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 1.19 0.00 0.00 30 V 8.37 5.07 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 0.83 0.00 0.00 0.90 0.00 0.00 31 S 8.72 4.75 0.00 3.89 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 32 E 8.71 4.84 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 33 I 8.76 4.72 1.90 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 1.25 0.90 0.93 0.00 0.00 34 Q 8.61 4.92 0.00 1.35 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 35 G 9.31 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 0.00 0.00 0.00 0.00 36 Y 8.55 4.73 0.00 1.71 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 37 G 7.23 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 38 R 8.17 4.05 0.00 1.86 1.91 0.00 3.00 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 *51 Y 7.54 4.30 0.00 3.06 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 52 S 8.53 4.73 0.00 4.14 4.11 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 53 V 8.29 3.79 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 0.79 0.00 0.00 0.98 0.00 0.00 54 D 8.08 4.54 0.00 2.51 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 55 F 7.87 4.80 0.00 3.13 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 56 V 8.62 4.56 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 1.05 0.00 0.00 0.98 0.00 0.00 57 P 0.00 4.98 0.00 2.00 1.96 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 58 K 8.95 4.81 0.00 1.63 1.74 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.56 7.81 59 V 8.61 4.73 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.87 0.00 0.00 60 R 8.95 4.74 0.00 1.82 1.76 0.00 3.03 0.00 0.00 3.10 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 61 I 8.47 4.83 1.77 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 1.16 0.51 0.85 0.00 0.00 62 E 9.28 5.08 0.00 1.78 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 0.00 2.09 2.13 0.00 63 V 8.40 4.55 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 0.75 0.00 0.00 0.89 0.00 0.00 64 V 8.46 4.39 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 0.83 0.00 0.00 0.92 0.00 0.00 65 V 8.82 4.67 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 0.66 0.00 0.00 0.98 0.00 0.00 66 D 8.55 5.07 0.00 2.68 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 67 D 8.97 4.62 0.00 2.69 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 68 S 8.23 4.22 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 7.62 4.32 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 1.35 1.07 0.91 0.00 0.00 70 V 7.65 3.68 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 1.08 0.00 0.00 0.93 0.00 0.00 71 D 8.05 4.36 0.00 2.74 2.76 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 72 K 7.92 3.91 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.06 7.81 73 V 7.54 3.50 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 0.94 0.00 0.00 74 V 8.02 3.56 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 75 D 8.18 4.35 0.00 2.84 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 76 S 8.51 4.08 0.00 3.99 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 0.00 77 I 7.75 3.60 1.99 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 1.35 0.79 0.84 0.00 0.00 78 V 7.91 3.54 2.19 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 0.99 0.00 0.00 0.98 0.00 0.00 79 R 8.29 3.94 0.00 2.11 2.04 0.00 3.30 0.00 0.00 3.22 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 80 A 7.90 4.20 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 81 A 8.03 4.13 1.23 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 0.00 0.00 82 R 7.08 4.10 0.00 2.01 1.84 0.00 3.22 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 1.64 1.59 0.00 83 T 9.40 4.36 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 84 G 8.72 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 0.00 0.00 0.00 0.00 85 K 7.48 4.56 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 86 I 7.98 3.69 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 1.35 0.52 0.90 0.00 0.00 87 G 8.84 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 0.00 0.00 0.00 88 D 7.86 4.29 0.00 2.66 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 89 G 9.25 4.35 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 0.00 90 K 8.31 4.82 0.00 2.08 1.98 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.70 7.81 91 V 8.45 4.85 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 0.83 0.00 0.00 0.89 0.00 0.00 92 W 9.10 5.39 0.00 3.31 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 93 V 8.56 5.25 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 0.82 0.00 0.00 0.97 0.00 0.00 94 S 8.86 4.92 0.00 3.98 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 95 P 0.00 4.75 0.00 2.11 2.11 0.00 3.75 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 96 V 7.89 4.33 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 0.86 0.00 0.00 0.97 0.00 0.00 97 D 9.10 4.53 0.00 2.71 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 98 T 7.34 4.71 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 99 I 8.12 4.65 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 1.23 1.45 0.96 0.00 0.00 100 V 8.36 4.88 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 0.84 0.00 0.00 0.93 0.00 0.00 101 R 8.82 4.09 0.00 1.92 1.78 0.00 3.29 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 102 V 8.70 3.58 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 0.81 0.00 0.00 0.93 0.00 0.00 103 R 8.18 4.03 0.00 1.80 1.94 0.00 3.26 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 104 T 7.72 4.23 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 1.26 0.00 0.00 105 G 8.11 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 0.00 106 E 8.34 3.98 0.00 2.05 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 107 R 7.77 5.40 0.00 1.77 1.82 0.00 3.41 0.00 0.00 3.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 108 G 8.43 3.68 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 0.00 0.00 0.00 109 H 8.89 4.12 0.00 3.28 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.11 4.42 0.00 2.85 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 0.00 111 A 7.97 4.31 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 0.00 112 L 7.56 4.20 0.00 1.62 1.56 0.94 0.71 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 * Residues marked with a * may have inaccurate shift predictions.