NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5646 8.3601 120.5308 54.3934 41.5152 173.6255 3 A 4.6074 7.8606 128.9526 47.8650 21.6768 171.3137 4 P 3.9798 0.0000 0.0000 63.6003 31.3074 174.8069 5 R 3.5169 7.5434 123.0101 55.8855 26.3829 177.1491 6 L 4.2872 8.6232 121.3764 55.7964 41.9695 178.5760 7 T 4.2541 7.8553 108.8015 62.8470 69.6501 175.8184 8 G 3.7246 7.8314 107.7259 43.4876 0.0000 170.2477 9 A 3.5034 8.6018 126.8504 51.5326 17.6249 176.5721 10 D 4.1900 9.1929 123.6220 56.9975 42.1195 179.3656 11 R 3.5145 8.5850 121.0886 58.3962 25.7806 172.3107 12 P 3.8865 0.0000 0.0000 61.6435 33.3233 177.7233 13 M 3.2190 8.7693 119.3224 55.7185 30.1955 177.4777 14 S 4.0697 7.7585 113.6651 62.2350 62.4788 171.9551 15 E 4.4540 7.3409 117.3940 54.6231 30.7143 175.6105 16 V 4.4051 7.9041 126.5578 60.7534 34.5537 174.3551 17 A 4.2644 8.4807 128.3780 51.2039 19.5664 176.6737 18 A 4.4921 8.3259 125.6898 49.7651 19.7283 175.4735 19 P 4.4131 0.0000 0.0000 62.2116 32.0791 174.6356 20 P 4.4662 0.0000 0.0000 61.9432 32.1141 176.1435 21 L 3.8303 8.4469 119.2224 55.1619 41.9901 175.7565 22 P 4.5782 0.0000 0.0000 62.0023 32.7052 175.0899 23 E 4.6320 8.3007 118.4776 54.9990 31.6587 175.7083 24 T 4.2984 8.5479 119.1529 64.2403 69.5985 173.8076 25 I 4.2619 8.4426 125.9122 60.7094 37.3292 176.0207 26 T 4.2213 8.5386 123.8857 63.4618 69.3799 174.6947 27 D 4.4080 7.9004 121.6803 53.5548 38.9316 178.2789 28 D 4.8462 8.5758 127.6368 53.8316 39.9888 176.8333 29 R 4.3969 8.6434 120.1234 54.5795 30.7848 177.2982 30 R 4.0513 8.4846 122.3525 56.6336 30.8113 176.6903 31 V 3.8178 8.3279 119.9377 63.5326 32.4240 177.1256 32 G 3.8412 8.3762 107.0893 46.2905 0.0000 172.7819 33 R 4.5718 8.1515 123.3280 54.7131 32.8763 175.1030 34 N 4.9111 8.3753 114.2666 54.0990 40.2904 174.9158 35 Y 4.9527 6.9720 113.4847 54.1115 41.3941 173.3293 36 P 4.3860 0.0000 0.0000 63.6271 31.8863 176.0322 37 E 3.6545 8.7394 115.5322 57.4870 27.2750 174.4093 38 Q 4.1847 7.6654 120.3016 53.4234 29.1580 173.6032 39 P 4.2351 0.0000 0.0000 62.3758 31.3901 174.4908 40 P 4.2845 0.0000 0.0000 62.6819 31.8948 176.1160 41 V 4.0655 7.9429 120.3017 61.9673 32.4060 175.7920 42 I 3.9560 8.6239 127.0680 60.0703 36.7915 175.0775 43 P 4.5616 0.0000 0.0000 63.6001 31.8014 174.9739 44 H 5.0765 7.3504 114.1882 53.8401 31.3166 172.7425 45 S 4.4728 8.4476 113.0306 58.2507 63.5335 173.4803 46 I 3.8962 7.8423 122.3463 63.8405 39.9496 181.2001 47 E 3.1124 8.1910 113.6237 57.0357 30.0370 176.6282 48 G 3.7761 8.6785 120.0727 47.5211 0.0000 173.5565 49 Y 4.5015 8.2149 119.6626 58.2836 38.3585 175.2004 50 Q 4.6418 8.8416 125.5921 54.4860 31.6575 174.1455 51 L 5.0154 8.5763 125.2894 53.3164 44.2436 175.4085 52 S 4.8365 9.5279 119.4795 56.9161 66.1211 174.9820 53 V 3.7175 8.6414 118.8371 65.5841 31.2509 176.4792 54 N 4.7691 7.5835 115.0798 53.5596 39.7966 174.5201 55 A 4.6233 7.7745 119.3225 51.0497 22.3043 175.0312 56 N 4.7539 8.2027 117.9347 50.5503 40.0745 174.2781 57 R 3.8510 8.8322 126.1594 59.6089 30.0115 177.7143 58 C 4.0706 7.8746 115.6378 62.6746 28.0094 175.4094 59 L 4.1622 7.8968 117.5321 56.2555 41.1292 178.4934 60 E 4.1347 7.8788 119.1941 58.2223 29.5678 176.9935 61 C 4.4858 7.7214 114.6030 60.8763 30.1677 173.7488 62 H 4.7871 8.1678 118.3325 54.2744 26.8542 174.6470 63 R 4.8288 7.9074 118.9646 54.9930 33.6907 173.7506 64 R 4.6984 8.8048 119.6552 55.0817 32.8321 176.4459 65 Q 4.6108 8.3476 121.1769 53.8924 31.5560 171.0122 66 Y 4.4462 8.4693 116.3866 58.1254 38.1037 178.3310 67 S 3.8328 10.1216 118.8570 60.2297 62.4585 173.4176 68 G 4.0644 8.4862 114.5829 46.6301 0.0000 174.4898 69 L 4.3287 7.8486 118.9923 53.9323 42.5899 176.2089 70 V 4.2200 8.1239 119.1869 61.0953 33.3640 174.5183 71 A 4.6760 8.1357 128.1318 49.8633 22.4425 174.7001 72 A 4.1644 8.3162 122.8044 50.9427 19.0460 176.1593 73 P 4.3487 0.0000 0.0000 63.2295 31.8628 176.1656 74 M 4.7456 8.1923 118.7885 54.8877 33.4541 175.6058 75 I 4.6038 7.2622 111.2716 59.1218 40.6884 174.6871 76 S 4.3321 8.4521 117.3084 58.0161 63.9270 175.1027 77 I 3.1131 8.0937 122.7481 62.9125 36.5955 177.9452 78 T 3.9950 7.7287 111.1807 64.2846 69.1761 175.3832 79 H 4.7629 8.7220 119.2311 56.4767 28.8616 175.9870 80 F 4.9320 8.4497 118.9194 57.8096 40.6736 175.7693 81 Q 5.5280 8.1824 117.8118 55.1276 29.5693 175.5741 82 D 4.8619 8.5394 122.3263 51.3358 42.4356 175.4565 83 R 3.9889 8.4068 118.5428 58.6343 30.1498 176.1802 84 E 4.0116 8.8517 122.7924 55.3226 27.0051 176.0822 85 G 3.9699 8.4597 106.2228 45.6842 0.0000 174.3346 86 Q 4.1209 7.8851 119.3629 56.3139 30.1214 175.4343 87 M 4.7205 8.4577 122.7500 53.9993 32.8554 175.5697 88 L 4.3082 8.5257 126.5576 54.0435 43.0174 176.5973 89 A 4.4191 8.2012 120.4713 51.5031 18.6523 176.7856 90 D 3.3700 7.2986 118.8803 54.6109 43.4650 176.1538 91 V 3.5716 7.2885 121.5852 63.4947 31.6790 175.9150 92 S 4.5540 8.4907 121.4361 56.7506 64.3906 172.6049 93 P 4.3755 0.0000 0.0000 65.4187 31.3660 177.2197 94 R 4.4507 7.1825 114.3703 57.3027 30.0139 176.5843 95 R 4.3311 9.0132 119.2208 56.4805 28.4092 176.6656 96 Y 4.0784 7.8242 118.2038 60.5632 38.6453 177.0055 97 F 4.1735 8.2552 123.5842 56.6503 38.3988 176.0869 98 C 4.1450 8.5506 125.2252 62.7251 28.2546 176.4179 99 T 3.8867 8.1551 107.8680 63.8207 68.2309 174.5187 100 A 4.2289 7.5776 124.4380 54.2679 18.9262 177.8509 101 C 4.5540 8.7836 112.7140 61.2225 30.0454 174.0736 102 H 4.7693 7.9829 116.0045 54.7419 29.4721 175.1147 103 V 4.5456 8.3379 123.0138 60.4534 34.5594 173.4834 104 P 5.0361 0.0000 0.0000 61.6951 33.3877 174.5882 105 Q 4.7600 8.3805 116.5029 54.6640 33.4133 174.3453 106 T 4.9256 8.3171 110.7308 59.7278 72.2825 173.5604 107 N 4.7266 8.5447 120.4338 52.7014 38.2639 173.6736 108 A 4.6314 8.0945 127.1476 50.1639 22.3291 175.3421 109 Q 4.3070 8.7715 121.9803 54.0460 29.9540 174.3402 110 P 4.3011 0.0000 0.0000 62.9014 31.7732 177.3348 111 L 4.2645 8.4806 122.1783 56.6182 41.9458 177.2690 112 V 4.4023 6.9998 115.8948 61.6030 34.7810 173.2333 113 T 4.0551 8.4305 116.9171 61.4951 69.4579 173.2159 114 N 4.8929 8.5087 121.9658 52.1688 39.9959 174.1646 115 E 4.4407 8.6158 127.4609 56.7813 30.2922 176.6772 116 F 4.5168 8.2160 121.9844 58.4333 40.5762 174.1962 117 R 4.8044 7.7156 123.9876 54.1680 32.5387 175.4236 118 D 4.3247 8.2968 121.5468 54.2972 42.1415 177.0940 119 M 4.0126 8.9126 124.6230 58.3160 32.2118 176.8879 120 L 4.3552 7.5727 117.6354 54.7772 43.0791 176.4729 121 T 3.2906 8.4023 112.7533 61.7869 66.6328 172.3995 122 L 4.5334 7.6525 131.2959 54.7756 41.8953 177.1454 123 M 4.4689 10.6072 118.6282 53.3645 34.6189 174.0592 124 P 4.7159 0.0000 0.0000 62.9966 31.9206 175.9746 125 A 4.2540 8.4133 126.8200 52.6862 19.1307 177.2540 126 S 4.5317 8.4819 114.7577 57.3039 65.9378 172.7843 127 N 4.5423 9.0796 124.0425 55.2508 40.0556 175.2970 *128 E 4.1515 8.0077 116.5188 56.0851 30.5139 177.2200 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 2 D 8.36 4.56 0.00 2.68 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 3 A 7.86 4.61 1.24 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 0.00 0.00 4 P 0.00 3.98 0.00 2.23 2.27 0.00 3.72 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 2.08 2.04 0.00 5 R 7.54 3.52 0.00 1.90 2.05 0.00 3.30 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 6 L 8.62 4.29 0.00 1.63 1.73 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.86 4.25 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 8 G 7.83 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 9 A 8.60 3.50 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 10 D 9.19 4.19 0.00 2.65 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 11 R 8.59 3.51 0.00 1.93 2.00 0.00 3.35 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.21 0.00 12 P 0.00 3.89 0.00 2.23 2.14 0.00 3.79 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 2.06 2.05 0.00 13 M 8.77 3.22 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 14 S 7.76 4.07 0.00 4.00 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 15 E 7.34 4.45 0.00 2.06 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 0.00 2.08 2.04 0.00 16 V 7.90 4.41 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 0.88 0.00 0.00 0.93 0.00 0.00 17 A 8.48 4.26 1.24 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 0.00 0.00 18 A 8.33 4.49 1.25 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 0.00 0.00 19 P 0.00 4.41 0.00 2.05 2.02 0.00 3.68 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 P 0.00 4.47 0.00 2.17 2.04 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 21 L 8.45 3.83 0.00 1.65 1.69 0.92 1.04 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 22 P 0.00 4.58 0.00 2.03 2.10 0.00 3.66 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 2.01 2.06 0.00 23 E 8.30 4.63 0.00 2.02 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 0.00 2.29 2.32 0.00 24 T 8.55 4.30 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 25 I 8.44 4.26 1.93 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 1.22 0.69 0.91 0.00 0.00 26 T 8.54 4.22 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 27 D 7.90 4.41 0.00 2.82 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 28 D 8.58 4.85 0.00 2.70 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 29 R 8.64 4.40 0.00 1.89 1.87 0.00 3.17 0.00 0.00 3.52 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 30 R 8.48 4.05 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 V 8.33 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 0.78 0.00 0.00 0.98 0.00 0.00 32 G 8.38 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 0.00 0.00 0.00 33 R 8.15 4.57 0.00 1.63 1.67 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.62 0.00 34 N 8.38 4.91 0.00 2.97 3.13 0.00 0.00 6.58 7.46 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 35 Y 6.97 4.95 0.00 3.01 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 36 P 0.00 4.39 0.00 2.27 2.11 0.00 3.93 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 2.19 2.17 0.00 37 E 8.74 3.65 0.00 2.19 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 0.00 2.27 2.33 0.00 38 Q 7.67 4.18 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 39 P 0.00 4.24 0.00 2.27 2.02 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 40 P 0.00 4.28 0.00 2.02 2.02 0.00 3.83 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 2.05 2.09 0.00 41 V 7.94 4.07 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 0.91 0.00 0.00 42 I 8.62 3.96 1.82 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 1.27 0.97 0.74 0.00 0.00 43 P 0.00 4.56 0.00 2.18 2.22 0.00 3.54 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 44 H 7.35 5.08 0.00 3.19 3.59 0.00 5.71 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 45 S 8.45 4.47 0.00 3.78 3.66 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 46 I 7.84 3.90 1.82 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 1.48 0.48 0.93 0.00 0.00 47 E 8.19 3.11 0.00 1.82 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 2.17 2.17 0.00 48 G 8.68 3.78 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 0.00 0.00 0.00 49 Y 8.21 4.50 0.00 2.84 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 50 Q 8.84 4.64 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 51 L 8.58 5.02 0.00 1.61 1.35 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.53 4.84 0.00 4.00 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 53 V 8.64 3.72 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 0.84 0.00 0.00 1.01 0.00 0.00 54 N 7.58 4.77 0.00 2.75 2.86 0.00 0.00 6.74 7.23 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 55 A 7.77 4.62 1.21 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 0.00 0.00 56 N 8.20 4.75 0.00 2.07 2.47 0.00 0.00 6.94 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 57 R 8.83 3.85 0.00 1.81 1.70 0.00 3.10 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.82 0.00 58 C 7.87 4.07 0.00 2.93 2.94 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 59 L 7.90 4.16 0.00 1.67 1.69 0.89 0.83 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 60 E 7.88 4.13 0.00 1.99 1.91 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 2.27 2.34 0.00 61 C 7.72 4.49 0.00 2.80 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 62 H 8.17 4.79 0.00 3.11 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.91 4.83 0.00 1.88 2.03 0.00 3.04 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 64 R 8.80 4.70 0.00 1.93 1.55 0.00 2.95 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 65 Q 8.35 4.61 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.22 1.93 0.00 66 Y 8.47 4.45 0.00 3.09 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 67 S 10.12 3.83 0.00 4.10 4.40 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 68 G 8.49 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 69 L 7.85 4.33 0.00 1.59 1.59 0.92 0.77 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 70 V 8.12 4.22 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 0.78 0.00 0.00 0.91 0.00 0.00 71 A 8.14 4.68 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 72 A 8.32 4.16 1.22 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 0.00 0.00 73 P 0.00 4.35 0.00 2.14 2.00 0.00 3.67 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 1.95 1.95 0.00 74 M 8.19 4.75 0.00 1.91 2.34 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 75 I 7.26 4.60 1.91 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.52 0.84 0.00 0.00 76 S 8.45 4.33 0.00 4.04 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 77 I 8.09 3.11 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.79 0.00 0.00 78 T 7.73 4.00 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 1.21 0.00 0.00 79 H 8.72 4.76 0.00 3.56 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.45 4.93 0.00 3.06 3.23 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 81 Q 8.18 5.53 0.00 2.01 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 82 D 8.54 4.86 0.00 2.73 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 83 R 8.41 3.99 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 84 E 8.85 4.01 0.00 2.10 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 0.00 2.17 2.33 0.00 85 G 8.46 3.97 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 0.00 0.00 0.00 86 Q 7.89 4.12 0.00 2.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 87 M 8.46 4.72 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 88 L 8.53 4.31 0.00 1.77 1.55 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.20 4.42 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 90 D 7.30 3.37 0.00 2.44 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 0.00 0.00 0.00 0.00 91 V 7.29 3.57 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 0.95 0.00 0.00 1.06 0.00 0.00 92 S 8.49 4.55 0.00 4.04 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 93 P 0.00 4.38 0.00 2.18 2.05 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 94 R 7.18 4.45 0.00 1.99 1.97 0.00 3.08 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 95 R 9.01 4.33 0.00 2.23 2.56 0.00 3.48 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 96 Y 7.82 4.08 0.00 2.97 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 97 F 8.26 4.17 0.00 3.31 3.09 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 98 C 8.55 4.14 0.00 3.01 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 99 T 8.16 3.89 4.30 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 0.00 0.00 0.00 1.27 0.00 0.00 100 A 7.58 4.23 1.42 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 0.00 101 C 8.78 4.55 0.00 2.82 2.82 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 0.00 102 H 7.98 4.77 0.00 3.05 3.21 0.00 5.64 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 0.00 103 V 8.34 4.55 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 1.03 0.00 0.00 0.94 0.00 0.00 104 P 0.00 5.04 0.00 2.10 2.05 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.83 0.00 105 Q 8.38 4.76 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 106 T 8.32 4.93 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 1.20 0.00 0.00 107 N 8.54 4.73 0.00 2.78 2.80 0.00 0.00 6.90 7.32 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 0.00 108 A 8.09 4.63 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 0.00 109 Q 8.77 4.31 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 110 P 0.00 4.30 0.00 2.18 2.00 0.00 3.60 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 111 L 8.48 4.26 0.00 1.64 1.73 0.92 0.86 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 0.00 112 V 7.00 4.40 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 0.70 0.00 0.00 0.94 0.00 0.00 113 T 8.43 4.06 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 0.00 114 N 8.51 4.89 0.00 2.72 2.82 0.00 0.00 7.06 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 0.00 115 E 8.62 4.44 0.00 2.03 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 2.32 2.32 0.00 116 F 8.22 4.52 0.00 3.18 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 0.00 117 R 7.72 4.80 0.00 1.48 1.65 0.00 3.58 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 118 D 8.30 4.32 0.00 2.75 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 0.00 0.00 0.00 0.00 119 M 8.91 4.01 0.00 2.07 2.15 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 2.79 2.68 0.00 120 L 7.57 4.36 0.00 1.55 1.58 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 T 8.40 3.29 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 1.20 0.00 0.00 122 L 7.65 4.53 0.00 1.61 1.67 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 123 M 10.61 4.47 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 124 P 0.00 4.72 0.00 1.97 2.01 0.00 3.73 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 2.03 2.10 0.00 125 A 8.41 4.25 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 0.00 126 S 8.48 4.53 0.00 3.94 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 0.00 127 N 9.08 4.54 0.00 2.72 3.07 0.00 0.00 6.98 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 *128 E 8.01 4.15 0.00 1.73 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.