NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 4.0110 8.3549 109.7341 45.3211 0.0000 175.2118 17 I 3.4229 7.5242 123.3082 63.3993 37.2174 175.8780 18 T 3.9485 7.8788 116.2386 63.1748 70.0636 174.5336 19 G 3.5316 7.5477 112.7455 45.1223 0.0000 170.7076 20 T 4.8037 7.6358 116.7936 61.4611 71.1419 173.7144 21 W 4.1636 8.7694 125.8788 54.6758 32.6594 174.1534 22 Y 5.4790 8.6529 120.8010 56.2951 41.1552 174.0895 23 N 5.4364 9.1707 121.6756 51.8084 41.8094 175.3675 24 Q 4.0790 8.9157 123.6530 59.6371 28.6765 178.7090 25 L 4.1420 7.9566 115.0919 55.0119 41.6940 177.5546 26 G 3.9566 9.3242 108.6914 45.4004 0.0000 173.6341 27 S 4.7989 7.9504 114.3357 57.5695 65.2173 172.9946 28 T 5.3754 8.4625 115.2417 60.7478 71.4066 172.2383 29 F 5.2294 9.0231 119.3386 55.4127 42.1292 173.1407 30 I 4.8355 8.8753 120.7615 59.7513 39.7382 175.2260 31 V 4.9054 8.6154 119.7420 59.7827 36.3112 174.6903 32 T 4.7568 8.8338 120.2079 61.7441 71.0409 173.1437 33 A 4.6732 8.7524 129.8547 50.6156 19.6108 177.1947 34 G 3.9378 9.0764 111.8618 44.7205 0.0000 174.1925 35 A 4.1988 8.3975 122.4013 54.0223 18.5800 178.5766 36 D 4.2934 7.9676 114.5690 55.5447 41.7353 177.0060 37 G 3.3664 8.3593 107.0488 44.5798 0.0000 172.8103 38 A 4.6814 7.6870 121.3417 51.4390 20.4710 176.7100 39 L 5.2454 8.7830 119.9775 53.1600 45.1268 175.9750 40 T 4.9392 9.0944 113.2046 59.4393 72.4149 174.5795 41 G 4.4534 7.4424 108.7334 46.3463 0.0000 171.2492 42 T 5.1990 7.6719 109.4495 60.1490 73.0059 172.3616 43 Y 5.0582 9.0362 124.5546 56.1586 41.3721 174.3627 44 E 5.5586 9.2834 124.8371 53.6981 34.3735 176.4351 *50 A 4.1790 8.5359 122.1841 52.3382 20.2189 178.7157 51 E 3.3867 7.6818 111.1532 58.0282 29.5988 177.5269 52 S 4.7500 7.8395 115.2843 58.1773 63.3853 172.3257 53 R 5.0351 7.4638 121.6846 55.0182 31.0761 175.1481 54 Y 4.9280 8.8987 123.1959 55.8700 42.1195 175.0960 55 V 4.3115 8.5784 122.4560 62.8157 32.4491 175.0905 56 L 5.0908 8.9311 127.5345 54.4345 43.6370 175.1683 57 T 4.7795 8.6664 114.4507 61.4533 71.5821 173.3077 58 G 4.0890 8.5354 111.6842 46.4517 0.0000 172.1158 59 R 5.6183 8.6114 117.5925 54.9319 34.8488 174.0758 60 Y 5.2809 8.6178 118.6483 55.3261 42.1840 174.2033 61 D 4.4632 9.1042 120.6732 53.7582 41.8282 176.3768 62 S 4.3279 8.3590 119.9927 58.2879 63.8135 174.8533 63 A 4.6622 8.2196 123.3485 50.4917 18.7942 173.9465 64 P 5.1173 0.0000 0.0000 60.6130 32.9013 177.0671 65 A 4.2696 8.3748 121.7641 52.8098 18.6945 177.1517 66 T 4.6891 8.2317 108.5107 61.6522 69.2389 174.2674 67 D 4.6967 8.4022 118.8625 54.2859 39.7165 177.0014 68 G 3.9960 8.3282 109.0689 45.5336 0.0000 174.4362 69 S 4.3732 8.0452 114.1152 57.6943 63.8846 174.1148 70 G 3.9984 8.2928 108.9959 46.1388 0.0000 172.5611 71 T 4.8000 8.6399 116.4178 61.5933 70.1598 174.8318 72 A 4.7911 8.6747 129.4775 52.1171 19.9751 175.9164 73 L 5.1242 8.9233 120.7804 55.3885 44.7916 174.2206 74 G 4.5845 9.1610 104.5243 45.8034 0.0000 172.3168 75 W 5.6531 8.4243 117.1285 55.6981 32.2148 173.3539 76 T 5.2672 9.3661 117.1303 61.8355 72.1710 173.3778 77 V 4.4835 8.6209 123.9851 60.9183 34.5906 173.9848 78 A 4.4885 8.3151 129.9563 49.9345 19.7153 177.9075 79 W 4.0760 8.3226 126.7863 56.4055 28.6014 176.4317 80 K 5.2921 7.8451 118.3398 54.6618 35.0402 174.3029 81 N 5.1120 9.3608 122.5636 51.6346 40.2399 174.2709 82 N 4.6026 8.7746 113.8500 55.0959 38.7885 175.2586 83 Y 4.5391 7.9230 114.2762 58.9438 39.9097 176.1358 84 R 4.7768 9.1851 116.8273 54.7429 34.4279 174.0070 85 N 5.2791 8.5696 117.8170 52.9207 40.7643 173.6121 86 A 4.4065 8.8612 128.2360 51.3311 19.9700 176.4751 87 H 4.1075 8.4026 114.4990 56.3086 26.7787 172.9209 88 S 5.0633 7.2251 112.0993 58.1560 66.5100 175.7769 89 A 4.9688 9.0011 121.0691 50.7631 22.9181 175.2693 90 T 4.9613 8.8865 117.0133 61.7219 72.2691 173.2809 91 T 5.0075 8.6380 115.4371 59.5728 72.1395 172.7286 92 W 5.0203 8.9049 124.2777 54.7896 32.1541 174.3856 93 S 4.8560 8.6435 119.5025 56.8400 64.8799 173.2264 94 G 4.6476 8.4402 112.9636 46.4803 0.0000 171.8046 95 Q 5.3120 8.4075 117.2044 54.7995 32.4892 173.3316 96 Y 5.0163 8.9917 122.1292 56.3751 40.8136 174.2810 97 V 4.2073 8.6707 127.0791 60.9472 33.8968 175.6174 98 G 3.7834 8.0228 115.9705 45.3384 0.0000 171.3064 99 G 3.9023 8.7051 104.9416 44.0295 0.0000 172.7267 100 A 4.0622 8.5739 120.3917 55.1020 18.8344 179.0661 101 E 4.4842 7.7531 114.4011 55.4392 27.6407 176.1799 102 A 4.5170 7.4499 121.5785 52.4338 20.5085 178.2810 103 R 5.3800 9.2269 118.4088 54.8566 35.5913 174.3121 104 I 4.9582 9.2169 122.8214 59.8501 40.1490 174.2363 105 N 5.4075 9.0190 125.8266 52.0793 40.3628 174.5830 106 T 5.3186 9.2040 113.1918 60.1510 73.1879 172.6407 107 Q 5.2381 9.0980 120.7806 53.8624 32.5048 174.7893 108 W 5.3593 8.3956 119.0616 54.5968 32.4396 173.8266 109 L 5.2957 8.6515 119.8798 52.8596 44.7649 175.3013 110 L 5.1779 8.8355 125.4011 53.6429 44.6137 174.9308 111 T 5.1048 8.8659 123.2240 61.9571 71.2677 173.5928 112 S 5.1871 8.4855 121.9116 56.4261 65.4107 174.4238 113 G 3.9093 8.6061 111.0270 46.7324 0.0000 173.0330 114 T 4.7056 8.1590 112.7985 60.0914 72.0937 173.1098 115 T 4.1427 8.1176 112.0919 60.8781 70.2292 175.5168 116 E 3.9096 8.8490 120.9846 59.5775 29.5370 179.6933 117 A 4.1741 8.1060 119.7027 54.4875 18.8465 177.6072 118 N 4.9843 8.0489 111.7040 52.9186 39.6184 176.3376 119 A 4.1210 8.2304 124.1715 54.0828 18.5391 180.7140 120 W 4.3321 8.2153 112.1811 58.4827 28.4376 176.9385 121 K 4.0421 6.5206 117.1259 56.3000 32.0764 177.1285 122 S 4.3288 7.7560 114.5777 59.8319 63.6494 173.3705 123 T 5.1383 7.5311 117.5372 61.9128 71.4617 173.4847 124 L 4.7358 8.9479 126.7982 53.5715 44.0138 176.0192 125 V 4.3569 7.7205 119.7302 60.3250 34.7188 174.7401 126 G 3.1187 6.6580 107.8342 45.7797 0.0000 171.3138 127 H 5.5357 8.3202 113.6405 54.2333 32.1216 172.7771 128 A 4.7572 9.2119 119.7780 51.3065 22.9864 175.2336 129 T 5.1489 8.5501 118.5305 61.8564 70.7938 173.9989 130 F 5.4097 9.8328 125.1181 55.9638 42.1006 174.6916 131 T 5.1631 9.2565 112.7614 59.7236 72.0263 173.9422 132 K 3.3753 7.4325 121.6763 55.5651 31.6473 176.3166 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 16 G 8.35 4.01 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 0.00 17 I 7.52 3.42 1.32 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 -0.36 0.52 0.00 0.00 18 T 7.88 3.95 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 1.21 0.00 0.00 19 G 7.55 3.53 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 0.00 0.00 0.00 0.00 20 T 7.64 4.80 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 1.26 0.00 0.00 21 W 8.77 4.16 0.00 1.78 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 22 Y 8.65 5.48 0.00 2.98 2.78 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 23 N 9.17 5.44 0.00 1.93 2.73 0.00 0.00 6.82 7.79 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 24 Q 8.92 4.08 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 25 L 7.96 4.14 0.00 1.91 1.81 0.99 0.97 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 26 G 9.32 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 27 S 7.95 4.80 0.00 3.99 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 0.00 28 T 8.46 5.38 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 1.23 0.00 0.00 29 F 9.02 5.23 0.00 3.08 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 30 I 8.88 4.84 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 1.20 0.56 0.87 0.00 0.00 31 V 8.62 4.91 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 0.61 0.00 0.00 0.87 0.00 0.00 32 T 8.83 4.76 4.21 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 1.19 0.00 0.00 33 A 8.75 4.67 0.80 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 0.00 0.00 34 G 9.08 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 0.00 0.00 0.00 35 A 8.40 4.20 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 36 D 7.97 4.29 0.00 2.65 2.71 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 37 G 8.36 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 0.00 0.00 0.00 38 A 7.69 4.68 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 39 L 8.78 5.25 0.00 1.77 1.52 0.78 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.09 4.94 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 41 G 7.44 4.45 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 0.00 0.00 0.00 42 T 7.67 5.20 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 1.23 0.00 0.00 43 Y 9.04 5.06 0.00 2.97 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 44 E 9.28 5.56 0.00 1.90 1.83 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 2.28 2.13 0.00 *50 A 8.54 4.18 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 51 E 7.68 3.39 0.00 1.82 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 2.05 2.07 0.00 52 S 7.84 4.75 0.00 3.93 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 53 R 7.46 5.04 0.00 1.79 1.83 0.00 3.30 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 54 Y 8.90 4.93 0.00 3.03 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 55 V 8.58 4.31 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 0.80 0.00 0.00 0.95 0.00 0.00 56 L 8.93 5.09 0.00 1.83 1.64 0.56 0.13 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 57 T 8.67 4.78 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 1.23 0.00 0.00 58 G 8.54 4.09 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 0.00 0.00 0.00 59 R 8.61 5.62 0.00 1.75 1.78 0.00 3.28 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 60 Y 8.62 5.28 0.00 3.06 2.84 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 61 D 9.10 4.46 0.00 2.86 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 62 S 8.36 4.33 0.00 3.86 3.33 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 63 A 8.22 4.66 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 64 P 0.00 5.12 0.00 2.27 2.18 0.00 3.46 0.00 0.00 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 8.37 4.27 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 66 T 8.23 4.69 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 1.25 0.00 0.00 67 D 8.40 4.70 0.00 2.79 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 68 G 8.33 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 69 S 8.05 4.37 0.00 4.02 4.01 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 70 G 8.29 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 71 T 8.64 4.80 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 A 8.67 4.79 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 73 L 8.92 5.12 0.00 1.95 1.94 1.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.16 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.42 5.65 0.00 3.45 3.17 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 76 T 9.37 5.27 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 1.20 0.00 0.00 77 V 8.62 4.48 1.53 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 -0.48 0.00 0.00 0.78 0.00 0.00 78 A 8.32 4.49 1.16 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 0.00 0.00 79 W 8.32 4.08 0.00 3.41 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 80 K 7.85 5.29 0.00 1.85 1.73 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.39 7.81 81 N 9.36 5.11 0.00 2.84 2.75 0.00 0.00 6.66 6.80 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 82 N 8.77 4.60 0.00 2.40 2.56 0.00 0.00 6.67 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 83 Y 7.92 4.54 0.00 3.18 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 84 R 9.19 4.78 0.00 1.97 1.87 0.00 3.30 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 85 N 8.57 5.28 0.00 2.66 2.61 0.00 0.00 6.90 7.96 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 86 A 8.86 4.41 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 87 H 8.40 4.11 0.00 3.32 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.23 5.06 0.00 4.00 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 89 A 9.00 4.97 1.16 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 0.00 0.00 90 T 8.89 4.96 4.01 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 -0.63 0.00 0.00 91 T 8.64 5.01 4.15 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 1.13 0.00 0.00 92 W 8.90 5.02 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.64 4.86 0.00 3.81 3.65 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 94 G 8.44 4.65 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 0.00 0.00 0.00 95 Q 8.41 5.31 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 8.99 5.02 0.00 3.02 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 97 V 8.67 4.21 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 0.93 0.00 0.00 0.91 0.00 0.00 98 G 8.02 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 99 G 8.71 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 0.00 0.00 0.00 100 A 8.57 4.06 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 0.00 101 E 7.75 4.48 0.00 1.97 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 0.00 2.25 2.29 0.00 102 A 7.45 4.52 1.46 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 0.00 0.00 103 R 9.23 5.38 0.00 1.83 1.91 0.00 3.17 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 104 I 9.22 4.96 1.80 0.00 0.00 -0.44 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 0.27 1.14 0.00 0.00 105 N 9.02 5.41 0.00 2.75 2.83 0.00 0.00 6.06 7.15 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 0.00 106 T 9.20 5.32 4.48 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 1.48 0.00 0.00 107 Q 9.10 5.24 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 108 W 8.40 5.36 0.00 2.72 2.39 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 0.00 109 L 8.65 5.30 0.00 1.53 1.53 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.84 5.18 0.00 1.78 1.68 1.03 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.87 5.10 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 0.00 112 S 8.49 5.19 0.00 3.71 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 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 0.00 0.00 0.00 114 T 8.16 4.71 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 1.19 0.00 0.00 115 T 8.12 4.14 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 1.21 0.00 0.00 116 E 8.85 3.91 0.00 2.12 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 2.41 2.39 0.00 117 A 8.11 4.17 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 0.00 118 N 8.05 4.98 0.00 2.68 2.61 0.00 0.00 6.71 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 0.00 119 A 8.23 4.12 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 0.00 120 W 8.22 4.33 0.00 3.61 3.26 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 0.00 121 K 6.52 4.04 0.00 1.26 0.74 0.00 1.27 0.00 0.00 1.33 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.85 7.81 122 S 7.76 4.33 0.00 4.15 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 0.00 123 T 7.53 5.14 4.21 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 1.21 0.00 0.00 124 L 8.95 4.74 0.00 1.79 1.66 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 V 7.72 4.36 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 0.54 0.00 0.00 0.66 0.00 0.00 126 G 6.66 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 0.00 0.00 0.00 127 H 8.32 5.54 0.00 3.24 3.14 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 0.00 128 A 9.21 4.76 1.46 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 0.00 0.00 129 T 8.55 5.15 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 1.38 0.00 0.00 130 F 9.83 5.41 0.00 3.04 3.21 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 0.00 131 T 9.26 5.16 4.33 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 1.35 0.00 0.00 132 K 7.43 3.38 0.00 0.79 1.12 0.00 0.82 0.00 0.00 1.19 0.00 0.00 2.37 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.76 0.21 7.81 * Residues marked with a * may have inaccurate shift predictions.