NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3762 8.1233 123.5859 51.5333 20.8581 178.5150 10 N 4.2668 8.0998 115.7413 56.1050 38.4743 175.5478 11 S 4.1938 8.8941 117.4035 61.7212 63.4224 176.4874 12 T 3.8643 7.8005 117.9706 66.7141 68.3707 176.7247 13 V 3.4005 7.2956 118.5998 65.8899 31.5158 178.0640 14 L 3.8270 8.4476 119.1044 57.6924 41.0522 179.3858 15 S 4.1168 8.2411 113.1629 61.3243 62.1307 175.9184 16 F 4.3809 7.9330 121.7830 61.7140 39.4370 176.6485 17 C 3.8630 8.1200 116.0261 62.4355 27.6762 175.5803 18 A 3.6060 7.9160 122.7843 54.9900 17.7795 178.2786 19 F 4.5636 7.2774 110.0028 57.2548 38.2057 176.3414 20 A 4.1550 7.4437 125.1016 51.8327 18.6532 179.3664 21 V 3.7345 8.2032 113.5645 63.4846 32.1007 176.4824 22 D 4.6687 7.4151 118.4960 50.2784 41.7172 173.3761 23 P 4.2004 0.0000 0.0000 65.3037 31.4991 177.5818 24 A 3.9813 7.9793 118.6291 55.0346 18.3473 179.4360 25 K 3.8864 8.5476 117.9334 59.5489 32.2337 178.7583 26 A 4.0629 8.0895 121.1398 55.4561 18.2225 179.0378 27 Y 4.3059 8.1503 117.9325 60.6565 38.8551 177.8781 28 K 3.7573 8.2870 120.6666 59.7088 32.3995 178.4421 29 D 4.3695 8.6168 119.4602 57.5645 40.6786 178.1397 30 Y 4.1235 8.4570 120.1551 60.6541 38.8296 178.2438 31 L 3.5773 7.9934 119.6371 57.6577 41.5505 179.3237 32 A 4.2461 7.8304 119.2333 54.6669 18.2388 178.7528 33 S 4.5037 7.3709 111.5023 58.3110 63.0431 175.0932 34 G 3.7776 8.1697 110.3752 45.0583 0.0000 174.5732 35 G 2.5647 7.1226 108.2557 44.7365 0.0000 173.3715 36 Q 4.2581 8.3163 121.9245 54.1490 29.9664 174.1921 37 P 4.6764 0.0000 0.0000 62.4374 32.0553 176.2816 38 I 3.8973 8.4201 122.9142 62.1425 37.5360 176.1262 39 T 4.6486 9.0572 116.4993 61.3084 71.0539 173.5673 40 N 4.2727 8.6733 116.0792 55.0595 35.8428 174.2539 41 C 4.4312 8.0838 114.3734 59.4305 29.4585 173.7809 42 V 4.0994 8.3918 116.9791 60.8900 32.3351 175.1381 43 K 4.5457 8.6762 126.9230 55.2964 33.5644 175.5428 44 M 4.4515 8.3699 126.1520 54.0417 33.9878 175.8321 45 L 4.3934 8.2873 122.8017 53.7269 42.8281 175.5892 46 C 4.6360 8.2605 123.8340 58.8043 29.8120 173.7235 47 T 4.6865 8.1546 110.2402 61.0909 69.1458 172.9107 48 H 4.7568 7.6714 115.0473 55.3216 31.0941 172.8248 49 T 4.1630 8.3959 117.6369 62.6177 68.5486 175.5291 50 G 3.9981 8.4880 118.0429 44.5376 0.0000 172.8650 51 T 3.9053 8.8065 109.2299 62.6848 68.8148 175.8960 52 G 3.9762 8.4615 110.2039 45.4150 0.0000 173.9633 53 Q 4.0647 7.4345 117.8687 55.7860 29.5859 176.5860 54 A 4.0157 8.8189 123.6034 54.6341 19.1806 177.6890 55 I 5.0971 7.4272 114.8127 59.8692 40.3313 174.9340 56 T 4.8426 8.9220 116.4019 59.8943 72.2666 175.3968 57 V 3.9341 8.6513 114.6390 63.1748 32.0817 176.3839 58 T 4.6624 7.5141 108.1498 58.6774 71.7712 171.7714 59 P 4.3833 0.0000 0.0000 63.3229 31.7685 176.3943 60 E 4.6193 9.5391 121.0709 55.6949 31.5039 175.1474 61 A 4.4119 7.7827 122.7112 52.8885 19.1058 178.2849 62 N 4.6879 8.8383 120.9850 51.9125 39.8704 175.4350 63 M 4.0418 8.7116 116.0376 58.6085 32.2977 176.7944 64 D 4.8838 9.0012 117.5467 53.9436 41.1629 175.2605 65 Q 5.1418 7.7459 117.6205 54.4224 33.3765 174.0581 66 E 4.7246 9.1211 119.0434 54.7665 33.5209 175.3290 67 S 5.3547 8.2205 117.8732 57.0262 65.6459 173.2090 68 F 5.3073 9.3051 122.0259 55.2103 43.2234 174.5342 69 G 3.8886 9.5353 109.5744 46.3114 0.0000 174.8415 70 G 3.8210 9.0580 112.7787 48.0106 0.0000 175.7097 71 A 4.0108 8.0034 123.1284 54.9522 18.1144 179.4870 72 S 4.1248 7.6974 109.3085 60.8398 62.6083 175.0825 73 C 4.4808 8.1021 117.8119 58.4747 28.3580 172.2003 74 C 4.5448 7.3586 123.0724 57.7792 32.2633 173.9511 75 L 3.6423 8.3513 128.7910 58.4119 41.6143 178.5603 76 Y 3.8200 7.2556 116.1250 60.9500 37.8188 177.9101 77 C 4.1068 7.9127 117.2502 62.9230 28.1689 176.1673 78 R 3.8124 8.0236 118.8192 59.0431 29.6985 178.1225 79 C 4.1784 7.8836 113.9878 59.3684 28.5197 173.2539 80 H 4.0460 7.7665 116.9325 56.8403 26.2884 174.3951 81 I 4.5216 7.2666 110.7754 58.3797 40.1573 174.8082 82 D 4.3438 8.3882 120.6808 55.1383 41.1069 176.2267 83 H 4.2017 8.1786 118.3431 54.1689 30.3736 173.2525 84 P 4.4542 0.0000 0.0000 64.7884 32.4082 178.1868 85 N 3.1400 6.1178 109.2365 53.7845 41.2908 177.4754 *89 F 4.5904 7.2967 121.8921 58.3531 40.8856 177.1420 90 C 4.7352 9.0144 117.6164 57.1085 32.7823 172.9176 91 D 4.5865 8.7791 125.6678 54.8172 39.8807 176.7799 92 L 4.4233 7.7685 119.4367 55.5582 43.1958 176.6313 93 K 3.8847 8.0223 119.3491 58.0835 32.1968 176.7175 94 G 3.8522 8.9314 113.6032 45.3866 0.0000 172.2920 95 K 4.6694 7.7322 119.5968 54.4833 36.1567 174.1020 96 Y 5.0920 8.6988 117.0024 56.7767 41.9324 174.9972 97 V 4.9903 8.9294 123.2543 61.3931 34.1513 174.2056 98 Q 5.0390 9.1522 127.7246 54.9494 29.8023 175.0875 99 I 4.0519 8.9259 125.8554 58.2862 40.1164 173.6355 100 P 4.5007 0.0000 0.0000 63.3312 31.9791 177.6421 101 T 3.8810 9.0930 121.1473 66.8631 68.5999 176.7932 102 T 4.0039 7.9326 110.0625 63.8812 69.1943 174.4521 103 C 4.6940 7.9199 118.2504 59.2563 28.9184 175.1678 104 A 4.1435 7.7080 123.2492 53.8688 17.9128 178.8105 105 N 4.5534 7.9413 112.3848 54.5008 38.5582 175.0617 106 D 4.7798 7.8102 118.1987 51.2834 41.4208 173.6637 107 P 4.0380 0.0000 0.0000 65.0162 31.8169 178.5187 108 V 4.1062 7.0767 118.1816 65.6462 31.5795 178.3436 109 G 3.8575 8.5752 105.2470 47.4649 0.0000 175.3708 110 F 3.7667 8.2913 123.3829 61.4319 39.1429 177.3276 111 T 3.8582 7.4441 106.7072 64.4546 68.7414 176.4388 112 L 4.1870 7.2325 120.6876 57.5936 41.7620 179.0315 113 R 4.1186 7.9455 116.6437 56.7389 30.3442 175.9404 114 N 4.9222 7.0817 114.7645 51.4985 41.3831 173.6116 115 T 4.9132 8.2989 114.6307 61.9361 72.1884 173.6624 116 V 3.9450 8.4581 126.1443 62.0803 32.6414 175.0936 117 C 4.4049 9.3199 129.8123 59.6191 31.8356 174.6949 118 T 3.9475 8.7217 116.4335 64.1251 68.7053 175.6507 119 V 3.8156 7.5608 121.8887 65.0874 31.7374 176.3210 120 C 4.2557 7.9356 112.9368 58.0714 30.4696 175.1440 121 G 3.7845 8.2725 109.4280 45.8759 0.0000 173.0888 122 M 4.6780 7.0817 119.0830 52.7071 34.5866 175.3067 123 W 4.8927 8.3689 120.0499 56.4898 29.8321 176.4524 124 K 4.4046 9.1332 123.9542 57.8651 31.8985 177.8818 125 G 3.8721 9.7423 111.2746 45.9497 0.0000 173.2128 126 Y 4.8329 8.4397 116.1643 55.3144 38.9602 173.6024 127 G 3.9285 8.5192 112.3252 46.1604 0.0000 173.1676 128 C 4.1311 8.1551 120.4248 60.5197 32.1635 173.3021 129 S 4.0704 8.8240 121.6312 59.2238 62.6927 171.9898 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 9 A 8.12 4.38 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 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.10 4.27 0.00 2.81 2.84 0.00 0.00 7.09 6.68 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 11 S 8.89 4.19 0.00 3.87 3.93 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 12 T 7.80 3.86 4.41 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 1.22 0.00 0.00 13 V 7.30 3.40 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 0.12 0.00 0.00 0.79 0.00 0.00 14 L 8.45 3.83 0.00 1.66 1.58 0.83 0.60 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 15 S 8.24 4.12 0.00 4.08 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 16 F 7.93 4.38 0.00 3.04 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 17 C 8.12 3.86 0.00 2.92 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 18 A 7.92 3.61 0.69 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 0.00 0.00 19 F 7.28 4.56 0.00 3.04 3.08 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 20 A 7.44 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.20 3.73 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 0.71 0.00 0.00 0.93 0.00 0.00 22 D 7.42 4.67 0.00 2.67 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.03 1.88 0.00 3.72 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 24 A 7.98 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 25 K 8.55 3.89 0.00 1.96 1.99 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.61 1.48 7.81 26 A 8.09 4.06 1.02 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 0.00 0.00 27 Y 8.15 4.31 0.00 2.95 3.12 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 28 K 8.29 3.76 0.00 1.86 2.02 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.45 7.81 29 D 8.62 4.37 0.00 3.05 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 30 Y 8.46 4.12 0.00 3.28 3.37 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 31 L 7.99 3.58 0.00 1.67 1.49 0.45 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.83 4.25 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 33 S 7.37 4.50 0.00 3.87 3.80 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 34 G 8.17 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 35 G 7.12 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.32 4.26 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 37 P 0.00 4.68 0.00 2.25 2.28 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 38 I 8.42 3.90 1.78 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 0.80 0.00 0.00 39 T 9.06 4.65 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 1.28 0.00 0.00 40 N 8.67 4.27 0.00 2.90 2.98 0.00 0.00 6.81 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 41 C 8.08 4.43 0.00 2.97 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 42 V 8.39 4.10 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 0.68 0.00 0.00 1.05 0.00 0.00 43 K 8.68 4.55 0.00 1.66 1.56 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.99 0.52 7.81 44 M 8.37 4.45 0.00 1.81 1.84 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.73 0.00 45 L 8.29 4.39 0.00 1.50 1.52 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.26 4.64 0.00 2.89 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 47 T 8.15 4.69 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 48 H 7.67 4.76 0.00 3.21 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.40 4.16 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 50 G 8.49 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 0.00 0.00 0.00 51 T 8.81 3.91 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 52 G 8.46 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.43 4.06 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 54 A 8.82 4.02 -0.03 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 55 I 7.43 5.10 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 0.93 0.00 0.00 56 T 8.92 4.84 4.32 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 1.23 0.00 0.00 57 V 8.65 3.93 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 0.77 0.00 0.00 0.97 0.00 0.00 58 T 7.51 4.66 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 1.23 0.00 0.00 59 P 0.00 4.38 0.00 1.82 1.81 0.00 3.23 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.00 60 E 9.54 4.62 0.00 1.93 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 2.47 2.39 0.00 61 A 7.78 4.41 1.20 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 0.00 0.00 0.00 0.00 0.00 62 N 8.84 4.69 0.00 2.98 3.02 0.00 0.00 6.69 7.25 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 63 M 8.71 4.04 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 64 D 9.00 4.88 0.00 2.70 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 65 Q 7.75 5.14 0.00 1.84 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 66 E 9.12 4.72 0.00 1.85 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 2.24 2.42 0.00 67 S 8.22 5.35 0.00 3.64 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 68 F 9.31 5.31 0.00 3.03 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 69 G 9.54 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 70 G 9.06 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 71 A 8.00 4.01 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 72 S 7.70 4.12 0.00 3.96 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 73 C 8.10 4.48 0.00 3.14 2.89 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 74 C 7.36 4.54 0.00 3.03 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 75 L 8.35 3.64 0.00 1.40 0.94 0.36 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.26 3.82 0.00 2.61 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 77 C 7.91 4.11 0.00 3.20 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 78 R 8.02 3.81 0.00 1.72 1.81 0.00 3.19 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 79 C 7.88 4.18 0.00 2.77 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 80 H 7.77 4.05 0.00 3.26 3.34 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.27 4.52 1.80 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 1.33 0.70 0.76 0.00 0.00 82 D 8.39 4.34 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.18 4.20 0.00 2.81 2.91 0.00 5.84 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.45 0.00 1.97 1.87 0.00 2.91 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 85 N 6.12 3.14 0.00 2.71 2.77 0.00 0.00 6.79 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 *89 F 7.30 4.59 0.00 2.85 2.18 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 90 C 9.01 4.74 0.00 2.56 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 91 D 8.78 4.59 0.00 2.83 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 92 L 7.77 4.42 0.00 1.77 1.78 1.08 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.02 3.88 0.00 1.78 1.81 0.00 1.95 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 94 G 8.93 3.85 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 0.00 0.00 0.00 95 K 7.73 4.67 0.00 1.76 1.88 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.34 7.81 96 Y 8.70 5.09 0.00 2.99 2.87 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 97 V 8.93 4.99 2.31 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 1.50 0.00 0.00 1.08 0.00 0.00 98 Q 9.15 5.04 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.36 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 99 I 8.93 4.05 1.91 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.73 0.23 0.00 0.00 100 P 0.00 4.50 0.00 1.73 1.98 0.00 2.20 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.06 0.00 101 T 9.09 3.88 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 1.26 0.00 0.00 102 T 7.93 4.00 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 1.26 0.00 0.00 103 C 7.92 4.69 0.00 2.66 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 0.00 104 A 7.71 4.14 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 0.00 105 N 7.94 4.55 0.00 2.85 2.96 0.00 0.00 5.76 8.06 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 0.00 106 D 7.81 4.78 0.00 2.77 2.54 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 0.00 0.00 0.00 0.00 107 P 0.00 4.04 0.00 1.72 1.20 0.00 3.46 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 1.29 1.47 0.00 108 V 7.08 4.11 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 0.98 0.00 0.00 0.77 0.00 0.00 109 G 8.58 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 0.00 110 F 8.29 3.77 0.00 3.13 2.96 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 0.00 111 T 7.44 3.86 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 1.47 0.00 0.00 112 L 7.23 4.19 0.00 1.97 1.81 0.96 0.95 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 0.00 113 R 7.95 4.12 0.00 1.48 1.82 0.00 3.01 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 114 N 7.08 4.92 0.00 1.61 2.49 0.00 0.00 6.76 7.40 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 0.00 115 T 8.30 4.91 4.37 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 1.28 0.00 0.00 116 V 8.46 3.94 1.92 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 0.49 0.00 0.00 0.21 0.00 0.00 117 C 9.32 4.40 0.00 3.04 2.87 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 0.00 118 T 8.72 3.95 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 0.00 119 V 7.56 3.82 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 0.85 0.00 0.00 0.93 0.00 0.00 120 C 7.94 4.26 0.00 3.15 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 0.00 121 G 8.27 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 0.00 122 M 7.08 4.68 0.00 1.99 2.03 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 2.54 2.66 0.00 123 W 8.37 4.89 0.00 3.69 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 0.00 124 K 9.13 4.40 0.00 2.02 1.86 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.50 7.81 125 G 9.74 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 0.00 126 Y 8.44 4.83 0.00 3.19 3.04 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 0.00 127 G 8.52 3.93 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 0.00 0.00 0.00 128 C 8.16 4.13 0.00 3.03 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 0.00 129 S 8.82 4.07 0.00 4.02 3.79 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 * Residues marked with a * may have inaccurate shift predictions.