NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9164 8.3544 109.7390 45.2958 0.0000 174.0475 0 S 4.3616 7.7707 114.3547 57.4689 63.5459 171.5027 1 M 5.1312 9.3260 125.6162 53.7168 35.5390 174.4264 2 K 4.7776 9.1179 119.9877 54.6426 37.4827 174.8987 3 K 4.8638 9.1978 123.5930 54.8113 34.6699 174.7714 4 I 4.7888 8.9456 128.4769 59.5894 39.6027 174.4453 5 E 5.0037 8.6264 126.0787 54.3361 33.2891 174.9957 6 A 4.9165 8.3946 123.5145 50.4117 23.3558 174.8393 7 I 4.9466 8.5084 122.7303 59.6618 39.3905 175.0716 8 I 5.0756 8.6016 119.9687 58.4814 41.6023 175.0139 9 R 4.1876 8.0133 121.8563 56.7565 30.5781 178.3951 10 S 4.1447 8.9919 119.6020 61.6487 63.0804 176.1725 11 D 4.4842 7.9933 117.9062 55.2356 39.6750 177.3183 12 K 4.3921 8.0151 119.5607 56.2182 32.0011 177.8812 13 L 3.9146 7.6567 122.9615 58.2943 41.9319 178.6028 14 E 3.9055 8.1367 118.5447 59.4906 29.5482 178.3695 15 D 4.3173 8.0118 118.3142 57.1338 40.9005 178.2605 16 L 3.9000 7.9752 120.7721 58.0421 42.1064 178.5094 17 K 3.7910 8.1780 119.5270 59.8872 32.1575 178.3298 18 A 3.9607 8.2995 120.5292 55.0923 18.2381 179.4764 19 A 3.9712 8.2444 119.4963 55.3265 18.4676 179.9111 20 L 4.1027 8.4346 117.9120 57.5115 41.6441 179.9034 21 V 3.5664 7.9838 118.5907 66.0687 31.2879 177.9154 22 Q 3.9628 7.6095 115.9752 59.2249 28.7449 178.8393 23 S 4.0502 7.5920 112.5857 58.5586 62.8399 175.2230 24 G 3.8170 7.4915 109.6838 46.0384 0.0000 174.4607 25 F 4.9390 7.9565 119.3770 57.9416 40.3185 177.9473 26 I 3.6762 8.0694 121.0117 64.1358 37.7836 177.4318 27 K 3.9184 8.2536 118.0857 59.4560 31.9891 177.8799 28 G 3.7638 8.3000 105.8718 46.4342 0.0000 171.9984 29 M 4.8683 8.0110 121.0085 53.9606 33.7798 175.1786 30 T 4.8947 8.6651 116.1110 59.8889 72.0058 173.1290 31 I 5.3443 8.1730 115.6618 59.5337 40.9433 174.1544 32 S 4.7354 8.7966 117.2076 57.3083 67.0216 172.3094 33 Q 5.0200 8.5597 119.2200 54.5695 30.3985 175.4398 34 V 4.5741 8.7642 115.8405 59.5499 36.5377 173.8594 35 L 4.8089 8.4280 123.3850 53.7846 43.9248 175.4433 36 G 4.1169 8.5871 111.5045 44.9122 0.0000 170.7532 37 F 5.3376 8.6858 116.4097 56.0819 43.3401 175.1412 38 G 4.4216 8.8437 108.8098 44.9132 0.0000 170.7574 39 N 5.3322 8.7016 117.7269 50.9503 41.6043 175.2082 40 Q 3.8795 8.6699 122.2313 56.1259 28.8352 174.4702 *54 P 4.2339 0.0000 0.0000 62.2854 32.6697 176.1588 55 T 4.2574 8.1195 109.3697 61.7615 70.3264 172.6978 56 L 4.9179 8.3910 124.5224 53.3821 44.1201 175.3794 57 L 4.8323 8.5926 125.4402 52.7354 45.4471 175.3697 58 A 4.5555 8.5933 125.4922 51.4081 19.4114 176.5867 59 K 4.7757 9.0142 121.3688 54.5668 37.0360 175.1173 60 V 4.7213 8.3310 121.0443 61.1263 34.1821 174.0515 61 K 4.8784 8.9546 129.2190 54.7893 34.3298 174.7642 62 V 4.7160 8.7939 127.8028 61.1769 34.3995 174.1706 63 E 4.6990 8.9994 127.5697 54.7193 32.7929 173.6701 64 I 5.1929 9.0468 127.3166 57.9871 41.8196 173.8530 65 V 4.7131 8.4090 128.2319 61.3435 32.8160 174.4395 66 A 4.7528 8.9152 128.9545 49.9075 23.3354 174.7916 67 H 4.4067 8.5425 116.1929 55.6518 29.7667 176.2097 68 D 4.3208 9.0962 123.7148 57.8616 40.7680 178.9331 69 A 4.1533 8.0031 118.0291 53.8964 18.8447 178.1205 70 A 4.3579 8.0126 118.6038 52.3001 19.2184 179.2498 71 V 3.4318 7.4336 117.8768 66.0364 31.6757 177.8025 72 E 3.9676 8.1180 117.6975 59.3904 29.2896 178.8077 73 E 3.9944 8.1554 118.8445 59.4695 29.7170 178.3415 74 M 4.0235 8.0813 118.1968 58.6710 32.1780 178.2229 75 I 3.6747 7.8330 119.8771 64.6909 37.2613 178.4681 76 T 3.8730 7.9879 116.4373 66.9339 68.3048 176.7196 77 T 3.8746 8.3186 117.8155 66.7246 68.5555 176.6465 78 I 3.6901 7.9245 121.5419 64.5769 37.2551 178.3335 79 S 4.1268 8.2286 116.0644 62.1524 62.5378 177.1205 80 Q 4.0183 8.3066 118.9682 58.9815 28.5144 178.5568 81 A 4.1730 8.0271 120.8745 54.1271 18.5293 178.4290 82 V 4.2814 7.5446 107.9172 60.8059 33.3266 176.4011 83 K 4.5034 7.7117 119.4865 57.0249 33.2955 176.5507 84 T 4.2041 9.5053 109.3977 62.5476 71.2369 173.8020 85 G 3.7527 10.2336 112.9411 45.8806 0.0000 171.5489 86 E 4.9892 7.7686 123.7326 54.7567 32.9446 174.5912 *89 D 4.6243 8.7267 120.3969 55.2507 42.9408 173.8351 90 G 4.0253 7.3214 101.7900 44.2054 0.0000 172.4890 91 K 4.7352 8.4396 117.1739 56.0673 36.3966 174.9950 92 I 5.1039 8.3720 121.0379 59.5256 40.6550 174.9642 93 F 5.1152 9.1222 120.2654 55.1690 41.6021 173.4459 94 V 4.9939 8.6274 120.3307 61.3339 33.8259 174.4942 95 S 4.9810 9.3467 121.3279 55.7893 67.0832 171.2101 96 P 4.7838 0.0000 0.0000 62.6167 32.2851 175.7040 97 V 4.3569 7.8032 120.0258 61.5737 33.4223 175.3110 98 D 4.5397 9.0444 128.1096 56.9091 41.2034 176.1991 99 E 4.7238 7.5609 113.1139 55.0783 32.1752 173.8172 100 I 4.5392 8.0898 119.2093 59.0529 40.8310 174.6784 101 V 4.4161 8.2385 125.9484 60.9837 34.0519 174.6070 102 R 4.4378 8.4012 125.5815 55.0212 31.2872 176.5424 103 I 3.9685 8.2776 122.1992 61.6524 37.2032 175.7772 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 G 8.35 3.92 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 0.00 0.00 0.00 0 S 7.77 4.36 0.00 4.01 3.73 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 1 M 9.33 5.13 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 2 K 9.12 4.78 0.00 1.52 1.60 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.48 7.81 3 K 9.20 4.86 0.00 1.73 1.63 0.00 1.58 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.34 7.81 4 I 8.95 4.79 1.75 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 1.14 0.46 0.79 0.00 0.00 5 E 8.63 5.00 0.00 1.16 1.27 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 2.02 1.97 0.00 6 A 8.39 4.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.51 4.95 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.26 0.94 0.00 0.00 8 I 8.60 5.08 1.87 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 0.78 0.90 0.00 0.00 9 R 8.01 4.19 0.00 1.82 1.90 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 10 S 8.99 4.14 0.00 3.87 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 11 D 7.99 4.48 0.00 2.78 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 12 K 8.02 4.39 0.00 1.93 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.76 7.81 13 L 7.66 3.91 0.00 1.84 1.66 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.14 3.91 0.00 2.11 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 2.38 2.47 0.00 15 D 8.01 4.32 0.00 2.85 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 16 L 7.98 3.90 0.00 1.77 1.79 0.93 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.18 3.79 0.00 1.98 2.03 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 18 A 8.30 3.96 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 19 A 8.24 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.43 4.10 0.00 1.72 1.82 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.98 3.57 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 1.02 0.00 0.00 0.98 0.00 0.00 22 Q 7.61 3.96 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 23 S 7.59 4.05 0.00 3.66 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 24 G 7.49 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 25 F 7.96 4.94 0.00 3.08 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.07 3.68 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.93 0.00 0.00 27 K 8.25 3.92 0.00 1.82 1.90 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.47 7.81 28 G 8.30 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 29 M 8.01 4.87 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 30 T 8.67 4.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 31 I 8.17 5.34 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 1.39 0.59 0.90 0.00 0.00 32 S 8.80 4.74 0.00 3.88 3.94 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 0.00 0.00 0.00 33 Q 8.56 5.02 0.00 1.93 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 34 V 8.76 4.57 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 0.69 0.00 0.00 0.93 0.00 0.00 35 L 8.43 4.81 0.00 1.52 1.29 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.59 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 8.69 5.34 0.00 2.89 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 38 G 8.84 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.70 5.33 0.00 2.65 2.68 0.00 0.00 6.83 7.08 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 40 Q 8.67 3.88 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.37 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 *54 P 0.00 4.23 0.00 2.41 2.14 0.00 3.78 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 1.98 1.87 0.00 55 T 8.12 4.26 4.27 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 1.24 0.00 0.00 56 L 8.39 4.92 0.00 1.68 1.55 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.59 4.83 0.00 1.46 1.44 0.94 0.88 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 58 A 8.59 4.56 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 59 K 9.01 4.78 0.00 1.60 1.74 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.45 7.81 60 V 8.33 4.72 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 1.00 0.00 0.00 0.92 0.00 0.00 61 K 8.95 4.88 0.00 1.85 1.63 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.32 7.81 62 V 8.79 4.72 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 0.82 0.00 0.00 0.90 0.00 0.00 63 E 9.00 4.70 0.00 1.99 1.69 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 2.13 2.16 0.00 64 I 9.05 5.19 1.88 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 2.28 0.87 0.00 0.00 65 V 8.41 4.71 2.03 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 0.78 0.00 0.00 0.89 0.00 0.00 66 A 8.92 4.75 1.01 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 0.00 0.00 67 H 8.54 4.41 0.00 3.25 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 9.10 4.32 0.00 2.89 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 69 A 8.00 4.15 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 70 A 8.01 4.36 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 71 V 7.43 3.43 2.17 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 0.99 0.00 0.00 0.92 0.00 0.00 72 E 8.12 3.97 0.00 2.02 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 2.40 2.32 0.00 73 E 8.16 3.99 0.00 2.14 2.22 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 2.63 2.49 0.00 74 M 8.08 4.02 0.00 2.17 1.87 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 75 I 7.83 3.67 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 1.51 0.49 0.92 0.00 0.00 76 T 7.99 3.87 4.46 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 1.25 0.00 0.00 77 T 8.32 3.87 4.52 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 1.30 0.00 0.00 78 I 7.92 3.69 1.86 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 1.52 0.73 0.90 0.00 0.00 79 S 8.23 4.13 0.00 4.10 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 80 Q 8.31 4.02 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 81 A 8.03 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 V 7.54 4.28 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 0.82 0.00 0.00 0.97 0.00 0.00 83 K 7.71 4.50 0.00 2.00 1.88 0.00 1.56 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.38 7.81 84 T 9.51 4.20 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 85 G 10.23 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 86 E 7.77 4.99 0.00 1.89 1.79 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 2.28 2.32 0.00 *89 D 8.73 4.62 0.00 2.78 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 90 G 7.32 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 91 K 8.44 4.74 0.00 1.92 1.93 0.00 1.33 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.66 7.81 92 I 8.37 5.10 1.88 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 1.37 0.68 0.87 0.00 0.00 93 F 9.12 5.12 0.00 3.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.63 4.99 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 0.85 0.00 0.00 0.93 0.00 0.00 95 S 9.35 4.98 0.00 3.87 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 96 P 0.00 4.78 0.00 2.10 2.09 0.00 3.73 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 1.99 1.97 0.00 97 V 7.80 4.36 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 0.81 0.00 0.00 0.91 0.00 0.00 98 D 9.04 4.54 0.00 2.71 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 99 E 7.56 4.72 0.00 2.02 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 2.18 2.29 0.00 100 I 8.09 4.54 1.84 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 1.28 0.94 0.88 0.00 0.00 101 V 8.24 4.42 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 0.90 0.00 0.00 0.93 0.00 0.00 102 R 8.40 4.44 0.00 1.84 1.84 0.00 3.26 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 1.58 1.64 0.00 103 I 8.28 3.97 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 0.46 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.