NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6403 8.3249 119.4256 57.1386 40.4944 174.9483 3 D 4.4954 8.8322 124.8331 55.1057 41.8156 174.7464 4 T 5.2387 7.8798 107.5735 59.8735 71.9829 173.6183 5 K 4.6906 8.7782 119.8267 55.2626 36.6442 175.0410 6 I 4.8187 8.2050 121.8450 59.8686 39.2797 174.4597 7 A 5.1600 8.9866 128.3711 50.0035 22.5381 174.6404 8 V 4.5949 8.9395 121.3093 61.0526 34.6140 174.2902 9 I 4.6293 8.4015 128.0145 59.6287 39.9087 174.5985 10 L 5.1521 8.3738 126.4350 52.6826 45.2115 175.5696 11 R 4.5532 8.7293 122.7234 56.1077 30.3995 177.2202 12 D 4.3729 8.9734 126.9712 56.8405 41.4212 176.3411 13 D 4.6478 7.8998 116.2477 53.3166 39.8511 176.3852 14 L 3.9203 7.4010 120.1225 54.2803 42.3341 177.4650 15 A 4.0721 8.1794 124.3089 52.1552 20.2798 179.2585 16 V 3.4999 8.2591 120.6622 65.8036 31.5993 178.5811 17 W 4.3109 8.1818 116.0720 59.6687 27.8853 178.2615 18 Q 3.0350 6.6197 118.2575 58.2478 28.0865 178.4172 19 K 3.8346 7.8595 119.5365 59.4017 32.0625 179.4382 20 L 3.9502 7.9442 119.0560 57.7027 41.7027 178.7383 21 N 4.4429 8.4225 117.2829 57.0623 38.8236 176.9377 22 V 3.1716 8.0221 119.7010 66.1930 31.2971 178.1172 23 T 3.8484 7.8419 114.2783 66.3456 68.3227 176.2268 24 A 4.0866 7.9053 121.7275 55.2661 18.6262 179.4094 25 F 4.2417 8.1745 115.9489 60.5579 39.0924 178.8124 26 L 4.1444 8.2677 116.3683 55.4463 41.3970 179.2033 *28 S 4.3644 8.1379 116.1047 58.3625 65.0782 176.1593 29 G 3.6732 7.8249 109.2724 46.9995 0.0000 175.6563 30 I 3.7011 7.6806 122.1948 64.1246 36.8746 178.7851 31 V 3.5516 7.6636 117.2831 65.8481 31.5874 177.2699 32 A 4.1264 7.8357 119.4285 55.4306 18.2581 179.1330 33 Q 4.2193 8.1277 116.9587 58.2802 30.6985 176.5476 34 T 4.6102 7.8990 116.5086 60.9777 69.5924 174.3622 35 G 3.7606 8.2712 114.4564 48.1638 0.0000 172.9820 36 E 4.1802 8.1239 118.2220 58.3975 29.7721 177.9379 37 I 3.9580 7.7175 112.3044 62.6929 38.0751 176.0112 38 I 4.3612 7.5379 122.9866 61.0613 37.9968 176.0948 39 G 4.1751 8.3729 117.5396 45.3082 0.0000 173.0070 40 E 4.4313 8.5070 121.7537 55.1034 30.7516 175.2692 41 P 4.6266 0.0000 0.0000 62.9922 32.4978 175.8562 42 Y 4.3255 8.6165 119.4871 57.9485 39.3678 174.9261 43 R 5.3226 8.4873 121.6427 54.7301 33.8387 175.2818 44 D 4.7822 9.3016 124.7368 52.2954 41.4765 176.8522 45 G 3.8585 8.6550 106.2506 46.6922 0.0000 173.9195 46 A 4.4735 8.7717 122.1360 51.5836 19.5849 177.7365 47 G 3.9641 8.1444 104.0445 45.3490 0.0000 173.8753 48 N 4.4969 8.1387 117.0770 52.9955 39.8095 174.0589 49 V 4.8283 7.8934 121.4768 61.4541 34.4923 173.9100 50 Y 4.9238 9.2279 123.3867 55.6594 42.6663 174.3818 51 N 4.7290 9.0067 117.8418 53.3454 39.1258 173.6464 52 P 4.9194 0.0000 0.0000 63.0030 32.8633 174.8656 53 L 4.9175 8.4685 119.5216 52.2420 46.3212 175.4894 54 S 4.7069 8.7550 114.5708 59.4423 62.0274 174.3803 55 I 4.1089 9.2260 119.9207 61.7418 38.1946 175.3758 56 Q 3.8729 7.4664 122.8533 53.1026 30.2900 173.4422 57 P 4.4028 0.0000 0.0000 62.7360 32.0599 175.5000 58 I 4.6480 7.9899 120.4371 59.6089 40.1894 174.9248 59 V 4.2474 8.6977 127.5275 61.3973 33.1749 174.8629 60 V 5.0401 8.4959 126.5941 60.3557 34.6658 174.0234 *62 A 4.5866 8.2495 125.4139 52.6670 20.4416 175.4547 63 T 4.6235 8.2724 113.8476 61.3417 71.7817 172.4580 64 D 4.9093 8.5094 122.4613 52.2355 40.8007 176.8102 65 Q 3.9293 8.7869 119.9332 60.0098 28.7601 178.9509 66 E 3.9526 8.1559 118.2970 59.1309 29.5505 179.1277 67 A 4.0175 8.0511 121.1386 54.9185 18.3366 179.4362 68 L 3.9323 8.2889 119.3389 58.0900 42.0475 179.0797 69 R 3.8971 8.2520 119.0018 59.2449 30.0296 178.3338 70 K 4.0457 7.9987 119.2712 59.6642 32.2273 178.6271 71 I 3.8897 7.6896 121.3044 64.1070 36.9934 177.4206 72 H 4.1616 8.4635 119.0619 59.8256 29.6362 176.9343 73 Q 3.9419 8.3993 119.5733 59.2233 28.6072 179.4107 74 R 3.9798 8.6135 119.4794 59.1421 30.0039 179.2300 75 S 4.1467 8.2744 114.1443 61.5468 62.9387 176.6837 76 L 3.9984 7.8175 122.3442 57.4974 41.1469 179.2903 77 E 4.0588 8.1052 117.5499 58.9926 29.3683 178.5560 78 R 4.4130 7.6989 115.8266 55.1094 30.4500 175.8860 79 D 4.4381 7.7611 116.9587 55.3901 39.0025 173.5646 80 I 4.2921 7.7842 118.9954 60.1884 38.5001 175.7997 81 T 4.3769 8.4347 122.1568 62.7102 69.0349 174.1778 82 T 4.8278 8.2331 116.1484 59.7888 71.7942 173.7972 83 S 4.6039 8.6098 118.4127 58.1236 64.3991 173.3484 84 L 5.0377 8.1834 124.1370 53.7986 45.5313 174.5150 85 Y 4.6311 8.9895 125.9369 55.9261 41.8733 174.0223 86 I 4.7621 8.2434 119.7687 58.9564 39.8279 175.2072 87 E 4.1075 8.8767 125.0692 59.7092 30.1482 178.9146 88 E 4.2469 7.7230 118.9969 56.3168 27.8145 177.9922 *90 F 5.0328 7.7658 115.7417 57.2543 41.3973 176.8496 91 A 4.3312 8.1138 123.0944 53.8904 18.6205 177.1964 92 T 4.7537 7.6817 103.9205 60.2331 71.9353 173.5554 93 G 4.0505 8.4731 108.8186 45.6058 0.0000 173.1389 94 H 4.9495 7.9113 117.7702 53.2148 31.2528 174.2892 95 D 4.2387 8.7912 124.9601 57.4836 41.1808 178.0613 96 A 3.9465 8.0965 120.3531 55.3928 18.2558 179.3728 97 A 3.9776 7.9208 118.5526 55.3221 18.4713 179.5150 98 N 4.2271 8.4802 115.4273 56.4545 38.6856 177.9354 99 R 3.8519 8.2278 119.8342 59.0151 29.8552 178.8797 100 Q 3.9374 7.9497 118.8484 59.2391 29.3590 178.4999 101 V 3.5541 7.9875 120.3881 64.5991 31.3037 177.7306 102 F 4.0986 8.5732 121.9360 61.2680 38.9868 177.0593 103 S 4.3628 7.9186 110.9579 60.5809 62.8637 174.9631 104 H 4.5061 7.9652 118.9232 55.4318 28.9270 174.5354 105 F 4.8675 7.1782 118.6768 55.6235 42.7271 173.9118 106 S 4.8349 8.2244 117.1214 55.7563 66.0420 173.7672 107 P 4.2519 0.0000 0.0000 65.8034 31.0973 178.0237 108 D 4.5257 8.1268 117.1276 56.2671 40.9522 176.8615 109 T 4.5054 7.5998 105.7675 61.0703 70.4416 174.3392 110 A 3.8756 8.1454 125.7693 52.3386 19.0279 177.8777 111 K 4.3815 7.5756 120.9142 54.4093 31.7168 174.4772 112 V 4.0530 7.9067 122.6106 63.1553 31.9724 175.5762 113 V 4.2169 8.9468 120.6348 61.9366 33.9182 175.3086 114 G 4.4954 7.6337 105.6842 45.0511 0.0000 171.8851 *116 A 4.9172 8.2422 120.3177 51.8337 20.2183 175.9285 117 L 5.0383 8.7339 119.3703 54.2008 44.7380 175.1319 118 R 5.1329 8.7086 119.2527 53.7161 32.5329 173.9539 119 A 4.6887 8.5347 126.2640 50.3355 23.5286 174.3998 120 D 4.8148 8.8914 118.1135 55.3855 41.5634 178.2928 121 R 3.9090 9.2889 121.6935 59.7734 29.2999 178.9648 122 K 3.9696 8.0328 119.7380 58.9406 32.1710 178.5678 123 I 3.6872 7.6275 119.6697 64.4224 36.9805 178.3694 124 V 3.5801 7.8252 118.4264 66.2321 31.0793 177.4782 125 D 4.3635 7.7300 116.7563 57.4194 40.8959 178.7213 126 K 4.1340 7.9723 118.5305 59.5038 32.1514 179.5264 127 I 3.8505 8.0889 120.5546 64.2848 37.1433 177.7684 128 T 4.4440 8.0941 108.5634 60.4516 69.0074 174.3775 129 K 4.0486 7.0042 122.6169 58.0394 32.5976 175.2642 130 G 4.1136 9.1085 115.3404 46.2454 0.0000 174.3564 131 A 4.1780 7.8133 121.4752 51.6887 19.0491 176.2154 132 K 4.6390 8.0630 121.8746 54.2086 34.1248 176.2776 133 L 4.2629 8.5021 126.2837 55.3720 42.2548 176.4565 134 H 4.3106 8.9522 123.5333 55.8739 30.7141 175.1262 135 A 4.2231 8.3522 126.6122 52.5131 18.5271 177.1778 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 F 8.32 4.64 0.00 3.14 3.13 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 3 D 8.83 4.50 0.00 2.81 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 4 T 7.88 5.24 4.34 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 1.26 0.00 0.00 5 K 8.78 4.69 0.00 1.78 1.89 0.00 1.29 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.38 7.81 6 I 8.20 4.82 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.87 0.00 0.00 7 A 8.99 5.16 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 8 V 8.94 4.59 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 0.96 0.00 0.00 0.92 0.00 0.00 9 I 8.40 4.63 1.88 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 1.35 0.75 0.91 0.00 0.00 10 L 8.37 5.15 0.00 1.58 1.51 0.93 0.79 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 11 R 8.73 4.55 0.00 1.96 1.78 0.00 3.18 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 12 D 8.97 4.37 0.00 2.62 2.65 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 0.00 0.00 0.00 0.00 13 D 7.90 4.65 0.00 2.79 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 14 L 7.40 3.92 0.00 1.53 1.40 0.92 1.05 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 15 A 8.18 4.07 1.12 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 16 V 8.26 3.50 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 1.09 0.00 0.00 0.94 0.00 0.00 17 W 8.18 4.31 0.00 3.62 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 18 Q 6.62 3.03 0.00 1.56 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 19 K 7.86 3.83 0.00 1.87 1.78 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.39 1.54 7.81 20 L 7.94 3.95 0.00 1.93 1.75 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.42 4.44 0.00 3.13 3.09 0.00 0.00 6.92 8.54 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 22 V 8.02 3.17 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 0.83 0.00 0.00 0.08 0.00 0.00 23 T 7.84 3.85 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 1.19 0.00 0.00 24 A 7.91 4.09 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 0.00 0.00 0.00 0.00 0.00 25 F 8.17 4.24 0.00 3.38 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 26 L 8.27 4.14 0.00 1.85 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *28 S 8.14 4.36 0.00 3.99 4.07 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 0.00 0.00 0.00 0.00 29 G 7.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.68 3.70 1.86 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 1.62 1.10 0.89 0.00 0.00 31 V 7.66 3.55 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 0.84 0.00 0.00 0.92 0.00 0.00 32 A 7.84 4.13 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 33 Q 8.13 4.22 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 34 T 7.90 4.61 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 1.29 0.00 0.00 35 G 8.27 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 36 E 8.12 4.18 0.00 1.99 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 0.00 2.34 2.38 0.00 37 I 7.72 3.96 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 1.56 0.82 0.98 0.00 0.00 38 I 7.54 4.36 1.98 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 1.36 0.82 0.95 0.00 0.00 39 G 8.37 4.18 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 0.00 0.00 0.00 40 E 8.51 4.43 0.00 1.83 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 0.00 2.30 2.27 0.00 41 P 0.00 4.63 0.00 1.99 2.17 0.00 3.69 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 2.05 2.16 0.00 42 Y 8.62 4.33 0.00 3.10 2.95 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 43 R 8.49 5.32 0.00 1.67 1.85 0.00 3.21 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 44 D 9.30 4.78 0.00 2.98 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 45 G 8.65 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.77 4.47 1.29 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 0.00 0.00 0.00 47 G 8.14 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 0.00 0.00 0.00 48 N 8.14 4.50 0.00 3.10 2.43 0.00 0.00 6.49 7.68 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 49 V 7.89 4.83 1.98 0.00 0.00 0.00 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 50 Y 9.23 4.92 0.00 2.88 2.80 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 0.00 0.00 0.00 0.00 51 N 9.01 4.73 0.00 2.63 2.79 0.00 0.00 6.94 8.02 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 52 P 0.00 4.92 0.00 2.22 2.24 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 53 L 8.47 4.92 0.00 1.64 1.54 0.36 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.75 4.71 0.00 3.85 3.77 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 55 I 9.23 4.11 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.97 1.00 0.00 0.00 56 Q 7.47 3.87 0.00 1.36 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 1.80 1.16 0.00 57 P 0.00 4.40 0.00 2.03 1.95 0.00 3.33 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 58 I 7.99 4.65 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.88 0.00 0.00 59 V 8.70 4.25 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 0.94 0.00 0.00 0.92 0.00 0.00 60 V 8.50 5.04 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 1.23 0.00 0.00 0.90 0.00 0.00 *62 A 8.25 4.59 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 63 T 8.27 4.62 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 64 D 8.51 4.91 0.00 2.86 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 65 Q 8.79 3.93 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 66 E 8.16 3.95 0.00 2.01 1.98 0.00 0.00 0.00 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 67 A 8.05 4.02 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 68 L 8.29 3.93 0.00 1.91 1.86 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.25 3.90 0.00 1.92 2.11 0.00 3.37 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 70 K 8.00 4.05 0.00 1.89 1.97 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 71 I 7.69 3.89 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 1.63 1.07 0.93 0.00 0.00 72 H 8.46 4.16 0.00 3.26 3.55 0.00 5.62 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 73 Q 8.40 3.94 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 74 R 8.61 3.98 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 75 S 8.27 4.15 0.00 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 4.00 0.00 1.84 1.76 0.85 1.38 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 77 E 8.11 4.06 0.00 2.12 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 0.00 2.34 2.58 0.00 78 R 7.70 4.41 0.00 1.81 1.95 0.00 3.49 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 79 D 7.76 4.44 0.00 2.84 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 80 I 7.78 4.29 1.98 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 1.51 0.81 0.93 0.00 0.00 81 T 8.43 4.38 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 1.22 0.00 0.00 82 T 8.23 4.83 4.39 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 1.24 0.00 0.00 83 S 8.61 4.60 0.00 3.84 3.83 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 84 L 8.18 5.04 0.00 1.64 1.60 0.84 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 8.99 4.63 0.00 3.04 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.76 1.64 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.68 0.85 0.00 0.00 87 E 8.88 4.11 0.00 2.03 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 2.44 2.47 0.00 88 E 7.72 4.25 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 *90 F 7.77 5.03 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.33 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 92 T 7.68 4.75 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 1.24 0.00 0.00 93 G 8.47 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 94 H 7.91 4.95 0.00 3.17 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 8.79 4.24 0.00 2.79 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 96 A 8.10 3.95 1.32 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 0.00 0.00 97 A 7.92 3.98 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 98 N 8.48 4.23 0.00 2.64 2.63 0.00 0.00 7.03 7.85 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 99 R 8.23 3.85 0.00 1.88 1.95 0.00 3.07 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 100 Q 7.95 3.94 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 101 V 7.99 3.55 2.10 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 0.76 0.00 0.00 1.08 0.00 0.00 102 F 8.57 4.10 0.00 3.21 3.29 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 0.00 103 S 7.92 4.36 0.00 4.13 4.17 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 0.00 104 H 7.97 4.51 0.00 2.88 2.77 0.00 5.61 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 F 7.18 4.87 0.00 2.74 2.80 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 0.00 0.00 0.00 0.00 106 S 8.22 4.83 0.00 3.84 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 0.00 107 P 0.00 4.25 0.00 1.95 1.84 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 108 D 8.13 4.53 0.00 2.67 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 0.00 109 T 7.60 4.51 4.38 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 1.24 0.00 0.00 110 A 8.15 3.88 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 0.00 111 K 7.58 4.38 0.00 1.52 1.67 0.00 1.56 0.00 0.00 1.85 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.28 7.81 112 V 7.91 4.05 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 0.87 0.00 0.00 0.87 0.00 0.00 113 V 8.95 4.22 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 0.77 0.00 0.00 0.88 0.00 0.00 114 G 7.63 4.50 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 0.00 *116 A 8.24 4.92 1.30 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 0.00 0.00 0.00 117 L 8.73 5.04 0.00 1.73 1.72 0.97 0.59 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 0.00 118 R 8.71 5.13 0.00 1.77 1.81 0.00 3.05 0.00 0.00 2.62 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 119 A 8.53 4.69 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 0.00 120 D 8.89 4.81 0.00 2.70 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 0.00 121 R 9.29 3.91 0.00 2.03 2.26 0.00 2.80 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 122 K 8.03 3.97 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 123 I 7.63 3.69 2.07 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 1.42 0.52 0.92 0.00 0.00 124 V 7.83 3.58 2.24 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 1.16 0.00 0.00 1.02 0.00 0.00 125 D 7.73 4.36 0.00 2.90 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 0.00 126 K 7.97 4.13 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 127 I 8.09 3.85 2.01 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 1.59 1.26 0.93 0.00 0.00 128 T 8.09 4.44 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 1.24 0.00 0.00 129 K 7.00 4.05 0.00 1.95 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.41 7.81 130 G 9.11 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 0.00 0.00 0.00 131 A 7.81 4.18 1.30 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 0.00 0.00 0.00 132 K 8.06 4.64 0.00 1.76 1.66 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.52 7.81 133 L 8.50 4.26 0.00 1.55 1.60 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.95 4.31 0.00 3.28 3.17 0.00 5.75 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 0.00 135 A 8.35 4.22 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 * Residues marked with a * may have inaccurate shift predictions.