NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.7140 8.0549 120.3362 62.7898 32.2096 174.4499 2 H 4.6751 8.2187 124.3907 53.1932 31.2681 171.8168 3 W 5.0454 8.4985 124.3139 55.3145 32.1302 176.3488 4 T 4.4078 8.7720 112.9203 61.0405 70.7993 176.0565 5 Q 3.9831 8.5761 121.0888 59.1813 28.7276 178.8548 6 E 3.8757 8.1235 119.6703 59.3033 29.7258 178.4970 7 E 3.8717 8.1914 118.3725 59.5963 29.5415 179.4649 8 R 3.5014 7.8659 117.8601 59.3109 30.0538 178.7061 9 D 4.2248 8.2783 117.9445 57.1186 41.3598 177.8392 10 E 3.9490 8.1705 119.8489 59.3590 29.6719 178.9518 11 I 3.2340 7.2159 119.6357 64.0954 37.1825 178.7027 12 V 3.6112 7.8132 119.1630 66.0091 31.2615 178.1251 13 K 4.1234 8.2894 118.3488 59.8517 31.8474 179.2285 14 T 3.9221 7.9817 115.4873 67.0512 68.2859 176.6449 15 F 3.7465 8.2325 117.7476 59.7458 38.8661 176.7047 16 F 4.6043 7.7241 114.9120 57.2302 39.0350 176.0624 17 S 4.4530 7.4987 111.0411 59.6736 65.9643 174.7999 18 A 4.1378 8.0847 122.7411 51.3497 18.9470 177.6761 19 N 4.5982 8.1243 118.4101 52.6088 38.2105 175.6333 20 S 4.0902 8.0580 123.1885 60.4204 63.0925 176.0258 21 S 4.0936 8.1108 117.8573 61.5412 62.6216 176.1976 22 A 3.8978 8.2759 123.2107 55.1651 18.0344 179.5062 23 I 3.4863 7.5970 118.3887 64.4592 37.2024 178.7136 24 G 3.2771 8.3397 106.4961 48.0073 0.0000 175.5749 25 T 3.7620 8.0276 118.8718 66.3823 68.4431 176.8964 26 K 3.9967 7.9756 119.9268 59.2034 31.8795 179.4281 27 A 3.6413 7.7210 121.4928 54.7670 18.2323 179.4276 28 L 3.3564 7.8986 117.8973 58.0000 41.1781 179.7313 29 E 3.9116 7.7528 118.1300 59.1815 29.3129 179.3224 30 R 3.7405 7.9984 119.0187 59.7708 30.0908 178.1718 31 M 4.1206 7.9619 117.9814 58.8419 32.1130 178.2066 32 F 4.4932 7.8254 117.7622 60.0543 38.7451 177.8353 33 V 3.5936 7.0542 116.2042 65.8209 31.6626 178.0610 34 V 3.4131 7.6892 116.8783 64.2974 32.7817 176.1006 35 F 3.9969 7.6326 116.2816 53.9596 38.9939 173.6270 36 P 5.0206 0.0000 0.0000 64.7675 31.5187 178.1764 37 W 4.3651 8.3425 115.1138 59.7129 27.6317 178.0583 38 T 4.2938 7.7948 109.8356 64.0284 68.6086 175.5702 39 N 4.1559 8.5328 119.7146 55.1152 38.6189 176.1033 40 A 3.8398 7.3745 121.7846 55.9889 18.4503 178.5952 41 Y 4.0228 7.5449 112.2518 60.1218 38.1503 176.4376 42 F 4.2019 7.5791 117.8742 55.3994 40.9311 174.6764 *48 F 4.6891 8.1046 122.7840 58.2155 40.2024 174.3374 49 S 4.2470 7.4223 119.3396 55.5715 65.5689 174.6936 50 A 3.7628 7.9666 130.9948 55.2673 18.5167 179.8419 51 S 4.6247 8.0870 113.9549 61.0420 63.1631 176.5643 52 I 3.7612 7.5319 116.3798 63.9788 37.4142 177.7933 53 H 4.4378 8.3421 119.8807 58.8969 29.7170 176.9009 54 A 4.0529 8.7140 122.8448 55.1486 18.0286 179.3225 55 A 3.9799 7.9347 118.7954 55.5255 18.5252 180.0343 56 I 3.6834 7.4145 116.7567 64.4429 37.2343 178.6933 57 V 3.6422 7.8438 119.1113 66.3112 31.3000 178.3213 58 V 3.9737 8.4963 118.3772 65.6338 31.3064 177.9010 59 G 3.8323 8.5700 106.0314 48.0757 0.0000 175.3597 60 A 3.9840 7.9781 123.4992 54.6341 18.3060 179.7778 61 L 4.1366 8.2305 117.4835 58.2002 41.7174 179.5903 62 Q 3.6367 8.5554 118.3741 58.9827 28.3682 178.6890 63 D 4.3114 7.9173 118.0305 57.2802 41.5946 177.8471 64 A 4.2433 8.2753 121.4106 55.2080 18.1465 179.8388 65 V 3.9274 7.5147 117.4126 65.3172 31.5953 177.9700 66 K 4.0294 8.1221 118.8539 58.5587 33.5296 176.6238 67 H 4.9468 7.7162 115.0903 54.1479 29.5065 173.6540 68 E 4.0164 7.9370 122.5074 58.7410 30.2097 177.4717 69 D 5.0217 8.0400 115.9402 55.0552 41.3486 175.9403 70 D 4.8958 8.1513 120.5975 52.8096 42.6198 178.2079 71 V 3.5407 8.2540 119.8972 66.1120 31.7856 176.2370 72 K 3.8629 8.1824 117.6801 59.9148 31.7340 178.7774 73 A 4.1032 7.4720 118.0467 54.3097 18.3948 178.5729 74 E 4.3193 8.0917 115.2492 57.3306 30.3493 177.4285 75 F 4.1732 8.2036 117.2232 56.9929 39.4154 177.3887 76 V 3.5963 7.8068 119.2860 66.5734 31.2009 177.4915 77 N 4.3975 8.0280 115.1902 56.1126 38.5322 177.4129 78 I 3.6700 7.5304 120.8293 64.2882 37.2167 178.2310 79 S 4.2683 8.6450 114.1938 61.4654 62.3298 176.1947 80 K 3.8053 8.4189 121.3641 59.4412 31.6902 179.0871 81 A 3.9301 8.0838 120.8132 55.5107 18.2993 179.4208 82 H 4.0291 8.2933 114.4597 58.8827 28.5984 178.0425 83 A 3.2846 7.5380 121.2492 54.8217 18.2242 178.7350 84 D 4.4558 8.2076 115.5783 55.3821 41.5720 177.8376 85 K 4.2574 7.5750 116.5834 57.9818 33.3637 177.6447 86 L 4.0713 7.9529 117.0646 55.3686 42.1709 176.4901 87 H 4.1078 7.8449 114.1313 56.6864 26.1212 175.1102 88 I 3.4037 7.7828 119.2462 60.4084 37.9396 176.0641 89 D 4.3241 8.9188 125.5861 53.6490 41.3214 175.2294 90 P 2.9700 0.0000 0.0000 64.9562 30.9761 178.4468 91 G 3.6592 7.7895 104.8134 47.2030 0.0000 174.9543 92 S 4.4311 7.8697 116.2963 59.3821 63.2521 176.0360 93 F 4.5299 7.3000 121.8122 61.2423 38.7058 177.2936 94 H 5.0121 8.2114 114.2677 57.4545 28.1613 177.2790 95 L 3.6097 7.5326 122.5448 57.3518 41.2780 178.9663 96 L 4.0599 7.9556 120.7045 58.2694 42.1127 179.0938 97 T 3.4451 7.7121 109.3812 64.6693 68.8850 176.2956 98 D 4.4891 8.4640 122.0164 57.2342 40.7576 178.9412 99 S 4.1536 7.9462 115.5945 61.2833 62.7094 176.5575 100 F 3.6838 8.1483 120.6138 60.5061 38.5650 177.6318 101 I 3.7800 7.7925 119.2653 64.5818 36.9944 178.6436 102 V 3.3819 7.7864 118.8616 66.0218 31.3412 177.8974 103 E 3.8355 8.0781 118.2776 58.8432 29.2455 179.1580 104 L 3.5550 8.2169 119.6171 57.3358 41.5131 179.2154 105 A 3.0139 7.1759 120.8370 55.2083 18.0321 179.1370 106 H 3.9733 7.6653 113.2347 59.1072 28.8384 177.4518 107 L 3.9849 7.4222 120.4982 57.7322 42.3380 178.4162 108 K 4.2035 8.1261 117.1864 55.1866 32.8466 178.4458 109 K 3.5417 8.9332 118.9553 56.9948 31.9947 179.1831 110 V 3.6155 8.7055 126.8506 66.5699 31.1649 176.5188 111 A 4.1982 8.0144 121.5248 54.2699 18.9810 177.6920 112 F 4.6509 8.0841 120.4352 57.4263 38.1778 175.8030 113 T 4.0925 7.5401 113.8363 61.3610 70.9499 172.7463 114 P 4.1927 0.0000 0.0000 66.1059 31.2838 178.8730 115 F 4.5248 7.8704 115.7000 60.8462 38.9798 177.7784 116 V 3.6802 8.1213 117.8824 65.8125 31.3215 177.5869 117 F 3.7757 8.8503 121.4723 61.4205 39.1797 177.0938 118 A 3.9229 8.3841 120.4195 54.7212 18.0944 179.6633 119 V 3.5334 7.7979 117.1054 66.2539 31.5218 178.4109 120 W 4.1825 8.1807 118.0732 59.6776 28.8899 178.4718 121 I 4.0695 8.4605 119.9994 64.5294 36.6107 178.2726 122 K 3.8990 8.2494 120.1940 59.3950 32.0574 178.4430 123 F 4.4819 8.4111 120.8103 61.6636 39.2598 177.0770 124 F 4.2483 8.5724 117.6860 60.5256 38.6176 177.3923 125 Q 3.9330 8.4896 119.3908 59.2075 28.8596 178.5379 126 V 3.4289 7.6693 119.1842 65.8689 31.5183 178.0506 127 V 2.9313 7.3211 117.7149 65.8690 31.3162 177.7604 128 I 3.5426 8.1982 119.8191 64.7335 36.7910 178.0919 129 D 4.3309 8.0055 117.9101 57.1925 40.5482 178.5263 130 A 4.0593 7.7782 121.2009 55.2161 18.2175 179.4295 131 I 3.9213 7.4231 114.9609 63.2731 38.2597 177.2690 132 S 4.7115 8.0409 114.9320 59.9246 62.7501 176.0041 133 S 4.2514 7.7867 115.7791 60.7599 62.1443 174.3048 134 Q 4.2855 8.0843 118.7323 55.6643 28.5421 174.9693 135 Y 4.0930 7.9406 117.3313 58.1112 37.8555 175.5882 136 H 4.6636 8.6721 121.4113 55.9523 29.5322 173.7399 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 V 8.05 3.71 1.89 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 0.29 0.00 0.00 0.78 0.00 0.00 2 H 8.22 4.68 0.00 3.13 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.50 5.05 0.00 3.22 3.01 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 4 T 8.77 4.41 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 5 Q 8.58 3.98 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 6 E 8.12 3.88 0.00 1.98 1.89 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 2.35 2.37 0.00 7 E 8.19 3.87 0.00 2.45 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 2.38 2.38 0.00 8 R 7.87 3.50 0.00 1.88 1.79 0.00 3.23 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.80 0.00 9 D 8.28 4.22 0.00 2.73 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 10 E 8.17 3.95 0.00 2.12 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 2.29 2.23 0.00 11 I 7.22 3.23 1.26 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 -0.36 -0.07 0.00 0.00 12 V 7.81 3.61 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 1.20 0.00 0.00 0.84 0.00 0.00 13 K 8.29 4.12 0.00 2.06 1.93 0.00 2.05 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 14 T 7.98 3.92 4.82 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 1.12 0.00 0.00 15 F 8.23 3.75 0.00 2.96 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 16 F 7.72 4.60 0.00 3.29 3.15 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 0.00 0.00 0.00 0.00 17 S 7.50 4.45 0.00 4.05 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 18 A 8.08 4.14 1.17 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 0.00 0.00 19 N 8.12 4.60 0.00 2.71 2.65 0.00 0.00 6.91 7.81 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 20 S 8.06 4.09 0.00 3.66 3.61 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 21 S 8.11 4.09 0.00 4.05 3.90 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 22 A 8.28 3.90 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 23 I 7.60 3.49 1.89 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.62 0.59 0.00 0.00 24 G 8.34 3.28 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 25 T 8.03 3.76 4.29 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 1.16 0.00 0.00 26 K 7.98 4.00 0.00 1.83 1.94 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.34 7.81 27 A 7.72 3.64 0.54 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 0.00 0.00 28 L 7.90 3.36 0.00 1.55 1.13 1.06 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.75 3.91 0.00 2.04 1.96 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 2.36 2.37 0.00 30 R 8.00 3.74 0.00 1.80 1.92 0.00 2.94 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 31 M 7.96 4.12 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.64 0.00 32 F 7.83 4.49 0.00 3.20 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 33 V 7.05 3.59 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 0.72 0.00 0.00 0.98 0.00 0.00 34 V 7.69 3.41 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 -0.14 0.00 0.00 0.69 0.00 0.00 35 F 7.63 4.00 0.00 2.80 1.48 0.00 0.00 0.00 0.00 0.00 0.00 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 5.02 0.00 2.30 2.16 0.00 3.89 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 2.20 2.15 0.00 37 W 8.34 4.37 0.00 3.52 3.46 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 0.00 38 T 7.79 4.29 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 39 N 8.53 4.16 0.00 2.62 2.66 0.00 0.00 6.85 7.56 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 40 A 7.37 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 7.54 4.02 0.00 2.32 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 42 F 7.58 4.20 0.00 2.62 1.73 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 *48 F 8.10 4.69 0.00 3.08 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 49 S 7.42 4.25 0.00 3.71 3.45 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 50 A 7.97 3.76 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 51 S 8.09 4.62 0.00 4.01 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 52 I 7.53 3.76 1.88 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 1.27 0.86 0.87 0.00 0.00 53 H 8.34 4.44 0.00 3.82 3.66 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.71 4.05 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 55 A 7.93 3.98 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 56 I 7.41 3.68 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 0.97 0.00 0.00 57 V 7.84 3.64 2.37 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 1.17 0.00 0.00 0.99 0.00 0.00 58 V 8.50 3.97 2.27 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 1.18 0.00 0.00 1.29 0.00 0.00 59 G 8.57 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 0.00 0.00 0.00 60 A 7.98 3.98 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 61 L 8.23 4.14 0.00 2.22 2.06 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.56 3.64 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.78 0.00 63 D 7.92 4.31 0.00 2.86 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 64 A 8.28 4.24 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 65 V 7.51 3.93 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 0.88 0.00 0.00 -0.14 0.00 0.00 66 K 8.12 4.03 0.00 1.84 1.42 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.45 7.81 67 H 7.72 4.95 0.00 3.27 3.17 0.00 5.87 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 7.94 4.02 0.00 1.72 1.61 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 1.47 1.47 0.00 69 D 8.04 5.02 0.00 2.75 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 70 D 8.15 4.90 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 3.54 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 0.63 0.00 0.00 1.06 0.00 0.00 72 K 8.18 3.86 0.00 1.84 1.90 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.51 7.81 73 A 7.47 4.10 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 74 E 8.09 4.32 0.00 2.19 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 2.44 2.60 0.00 75 F 8.20 4.17 0.00 3.28 3.10 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 0.00 0.00 0.00 0.00 76 V 7.81 3.60 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 1.14 0.00 0.00 1.02 0.00 0.00 77 N 8.03 4.40 0.00 2.80 2.81 0.00 0.00 7.05 7.47 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 78 I 7.53 3.67 1.60 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.39 0.83 0.00 0.00 79 S 8.65 4.27 0.00 4.10 4.10 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 0.00 0.00 0.00 0.00 80 K 8.42 3.81 0.00 1.91 1.81 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.63 7.81 81 A 8.08 3.93 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 82 H 8.29 4.03 0.00 3.61 3.83 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.54 3.28 0.32 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 84 D 8.21 4.46 0.00 2.61 2.67 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 85 K 7.57 4.26 0.00 1.77 1.79 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 86 L 7.95 4.07 0.00 1.46 1.55 0.69 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.84 4.11 0.00 3.33 3.43 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.78 3.40 1.94 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.48 0.00 0.00 89 D 8.92 4.32 0.00 2.80 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 90 P 0.00 2.97 0.00 1.90 1.24 0.00 3.52 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.95 0.00 91 G 7.79 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 0.00 0.00 0.00 92 S 7.87 4.43 0.00 3.94 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 93 F 7.30 4.53 0.00 3.23 3.01 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 94 H 8.21 5.01 0.00 3.47 3.63 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.53 3.61 0.00 1.58 1.05 0.69 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.96 4.06 0.00 1.91 1.91 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.71 3.45 3.63 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 1.15 0.00 0.00 98 D 8.46 4.49 0.00 2.85 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 99 S 7.95 4.15 0.00 3.95 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 0.00 100 F 8.15 3.68 0.00 2.69 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 0.00 101 I 7.79 3.78 2.20 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 2.09 1.19 1.20 0.00 0.00 102 V 7.79 3.38 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 0.84 0.00 0.00 0.91 0.00 0.00 103 E 8.08 3.84 0.00 1.71 1.73 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 2.24 2.25 0.00 104 L 8.22 3.56 0.00 1.33 0.94 0.07 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.18 3.01 0.99 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 0.00 0.00 106 H 7.67 3.97 0.00 3.23 3.22 0.00 5.68 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 0.00 107 L 7.42 3.98 0.00 1.49 1.63 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.13 4.20 0.00 1.95 2.00 0.00 2.03 0.00 0.00 1.97 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.44 7.81 109 K 8.93 3.54 0.00 1.89 1.04 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.54 7.81 110 V 8.71 3.62 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 0.81 0.00 0.00 0.96 0.00 0.00 111 A 8.01 4.20 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 0.00 112 F 8.08 4.65 0.00 2.95 3.14 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 0.00 113 T 7.54 4.09 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 1.33 0.00 0.00 114 P 0.00 4.19 0.00 1.92 2.10 0.00 3.53 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 2.03 2.23 0.00 115 F 7.87 4.52 0.00 3.07 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 0.00 116 V 8.12 3.68 2.28 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 1.30 0.00 0.00 1.09 0.00 0.00 117 F 8.85 3.78 0.00 2.47 2.98 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 0.00 118 A 8.38 3.92 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 0.00 119 V 7.80 3.53 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 0.65 0.00 0.00 0.93 0.00 0.00 120 W 8.18 4.18 0.00 4.14 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 0.00 121 I 8.46 4.07 2.10 0.00 0.00 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 1.97 0.78 1.01 0.00 0.00 122 K 8.25 3.90 0.00 1.95 2.06 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.09 1.24 7.81 123 F 8.41 4.48 0.00 2.91 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 0.00 124 F 8.57 4.25 0.00 3.44 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 0.00 125 Q 8.49 3.93 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 126 V 7.67 3.43 2.23 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 0.94 0.00 0.00 0.79 0.00 0.00 127 V 7.32 2.93 1.94 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 0.68 0.00 0.00 -0.02 0.00 0.00 128 I 8.20 3.54 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.58 1.00 0.00 0.00 129 D 8.01 4.33 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 0.00 130 A 7.78 4.06 1.04 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 0.00 0.00 131 I 7.42 3.92 1.78 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.82 0.02 0.00 0.00 132 S 8.04 4.71 0.00 3.98 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 0.00 133 S 7.79 4.25 0.00 4.09 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 0.00 134 Q 8.08 4.29 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 135 Y 7.94 4.09 0.00 3.06 3.01 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 0.00 136 H 8.67 4.66 0.00 3.13 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.