NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.6373 0.0000 0.0000 62.5295 32.8281 175.2527 3 F 4.4297 9.0495 126.9921 56.7432 40.6655 172.5658 4 I 4.6216 7.7084 126.8811 59.7887 39.4456 173.8197 5 Y 4.6172 8.8887 130.2200 56.4579 41.2839 174.9004 6 R 4.5940 7.9061 126.9397 55.6286 31.2029 171.9222 7 R 4.1496 7.6505 121.6678 54.3422 34.0843 173.3727 8 R 4.8964 7.8714 122.6340 53.9555 33.1972 175.1313 9 V 4.0087 8.6722 126.3727 63.5581 32.6492 175.0510 10 Q 4.8158 9.3430 127.1047 54.6410 30.5364 176.7595 11 F 3.7009 9.2128 124.3530 61.5132 39.4627 176.6260 12 Y 4.3871 7.9666 115.3125 58.4773 38.0981 175.9730 13 E 4.1215 7.5891 120.5926 57.1436 30.0991 176.2908 14 T 4.7369 7.1864 109.6178 60.1871 70.7085 172.5191 15 D 4.8383 8.2082 120.0237 51.0404 42.3129 176.0927 16 A 4.1253 8.5550 120.9806 54.5612 18.1993 178.1930 17 Q 4.0404 8.6763 116.3190 56.7332 29.3396 176.7792 18 G 3.9840 8.7685 106.0296 45.5125 0.0000 172.5038 19 I 4.9767 7.1710 111.9992 58.2687 41.7027 174.5932 20 V 4.1427 8.2848 123.3326 62.8726 32.0105 175.3116 21 H 4.3741 8.8493 128.6606 56.3412 30.2743 175.8042 22 H 4.0240 8.7171 121.7307 58.9676 27.6702 177.8044 23 S 4.5499 7.7612 116.2151 61.2389 62.9849 175.6463 24 N 4.3407 8.2834 119.4303 55.2005 38.1376 176.8002 25 Y 3.1314 7.6569 119.0276 60.6530 37.8320 178.2129 26 F 4.2347 7.2811 117.2114 60.3349 38.9364 178.0356 27 R 3.9493 7.5502 117.5322 59.3807 29.9869 178.3738 28 Y 4.3941 7.3716 116.5710 61.2061 37.7780 178.6924 29 F 4.3267 7.8724 119.1688 60.4833 38.8597 177.3456 30 E 4.0472 8.3738 119.1141 59.0931 29.3375 178.7575 31 E 3.8135 8.0986 118.4392 59.2941 29.5592 178.9819 32 A 3.3861 7.5068 120.5933 55.0400 18.4629 179.4998 33 R 3.7776 8.2107 117.2539 59.5514 30.2664 178.8786 34 G 3.6169 8.3423 105.8082 47.9385 0.0000 175.2372 35 E 4.0755 8.3712 121.7498 58.2005 29.6192 178.6285 36 F 2.7063 8.0880 121.4753 60.9265 39.2532 177.0721 37 L 3.5344 7.5449 117.1555 57.5048 41.4006 179.2910 38 R 3.9526 7.3461 117.8150 59.3843 30.1589 178.4848 39 S 4.3223 7.7805 114.5380 61.3354 63.2222 175.1681 40 K 4.0270 7.1294 125.1210 57.0492 33.1387 180.9583 *52 L 4.3420 6.8460 119.7638 54.3411 43.2605 176.0081 53 E 4.6713 8.3381 120.6021 54.4913 32.7141 174.3675 54 V 4.5814 8.6072 127.2425 62.0783 32.8403 174.9850 55 V 4.5009 8.9452 128.1894 60.9274 34.6390 173.9977 56 L 4.5949 8.4308 129.0261 54.4322 42.0393 176.1102 57 L 4.3401 8.6297 127.8269 57.5365 42.3105 176.8673 58 N 4.9056 7.7770 113.1705 52.2771 40.4328 173.0560 59 A 5.3009 8.3300 119.8698 50.9909 22.5691 174.9690 60 Y 5.0172 9.4786 121.1422 56.3912 42.9187 173.6047 61 C 4.7378 7.7047 124.7375 57.6825 35.0124 172.4416 62 E 4.5012 8.6646 124.3881 54.5960 31.9121 174.1962 63 Y 4.4347 8.7057 121.4074 56.7152 39.0418 175.1198 64 K 4.3299 9.2830 124.9353 57.8478 32.7128 177.2527 65 K 4.6347 7.6871 117.6149 53.4968 35.5613 174.3606 66 P 4.5043 0.0000 0.0000 62.7369 32.6903 175.1523 67 L 4.4318 8.1284 119.5056 52.9079 44.6801 175.7825 68 F 5.4256 9.6218 121.9656 55.2507 42.5872 174.5239 69 Y 4.3373 8.7815 120.9569 59.8777 38.7006 176.2889 70 D 4.3967 8.5744 124.7952 54.0702 41.1242 173.6098 71 D 4.5358 8.1610 118.8403 55.1890 42.0943 175.4546 72 V 4.6016 8.3733 123.1912 61.6855 32.6061 174.6060 73 F 5.2856 8.7008 122.5044 55.1076 42.0326 173.3449 74 E 5.1076 9.4577 117.2755 54.5286 33.9021 175.2492 75 V 4.8913 9.2287 123.2669 61.7358 34.3383 173.9766 76 H 5.4151 9.5215 126.4641 54.5347 30.3435 173.6987 77 L 4.9447 8.9897 126.7665 53.4522 44.1276 174.7275 78 N 5.1180 8.6300 123.5707 51.6028 42.9970 173.0534 79 L 4.6924 8.5269 127.2863 54.6243 41.7412 175.6775 80 E 4.2151 8.8657 129.2429 58.7463 30.5683 176.4824 81 E 4.6302 7.6967 118.0131 55.0254 33.3139 174.1348 82 L 4.7743 8.5593 128.2646 53.3220 42.3885 175.2340 83 S 4.1390 8.5376 122.1419 59.9417 63.0282 173.7792 *86 T 4.8647 7.8340 113.2097 63.6528 70.8294 172.9088 87 F 5.3310 8.0419 118.9986 55.9447 41.4989 173.0728 88 T 5.0141 8.9826 118.4673 61.7596 71.9902 173.0276 89 F 5.5132 8.9812 122.9380 55.6616 42.8242 174.3884 90 S 5.0942 8.8462 116.3938 56.8695 66.1126 172.5417 91 Y 5.6357 8.9551 117.9431 55.5856 42.6525 174.4337 92 I 4.7638 8.2656 121.5144 59.8094 41.7529 174.0758 93 V 4.6971 9.0615 128.0463 61.6029 32.9406 174.2846 94 F 5.3431 9.0759 127.5617 55.7281 41.5686 175.1070 95 K 4.6046 8.7906 126.3850 55.1633 34.6553 176.4174 96 E 3.7629 9.2647 125.7989 57.3276 26.5176 172.1560 97 D 4.3208 8.3161 116.9461 55.1920 39.3315 174.1706 98 I 4.2658 7.3473 121.5381 59.1442 37.7853 174.7829 99 A 3.7657 8.8118 129.1617 52.7868 17.9852 176.9566 100 V 4.0787 9.1210 117.0928 63.7311 33.1917 176.3674 101 A 4.7386 7.5106 121.9421 51.3877 22.3560 175.8953 102 K 5.0659 8.4159 123.3154 53.6054 36.1326 175.1571 103 A 5.1318 8.8659 123.9652 50.9871 23.4891 174.5413 104 N 5.6143 9.1712 115.0851 52.2901 41.0192 173.9427 105 T 5.2156 9.1170 111.0982 59.9859 72.7505 172.3939 106 K 4.7810 8.8174 125.0928 55.1458 35.5337 174.4398 107 H 5.2885 8.0685 122.2631 54.6936 33.7680 171.3360 108 C 5.0215 8.3487 111.6173 58.3825 33.1681 172.6178 109 M 5.0478 8.8797 121.9235 54.6764 32.9913 176.7655 110 V 4.1529 8.6201 123.8167 60.2412 33.2031 173.6679 111 K 4.3093 8.7298 127.5443 55.4201 31.7335 176.7256 112 N 4.5338 8.4089 118.6490 52.5441 37.4282 174.3911 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 P 0.00 4.64 0.00 1.87 1.90 0.00 3.70 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 1.84 1.60 0.00 3 F 9.05 4.43 0.00 3.32 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 4 I 7.71 4.62 1.61 0.00 0.00 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 0.88 0.52 0.82 0.00 0.00 5 Y 8.89 4.62 0.00 3.21 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 6 R 7.91 4.59 0.00 1.63 1.68 0.00 3.34 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.18 0.00 7 R 7.65 4.15 0.00 1.13 0.66 0.00 2.92 0.00 0.00 3.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.14 0.00 8 R 7.87 4.90 0.00 1.67 1.65 0.00 3.25 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.68 0.00 9 V 8.67 4.01 2.35 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 0.98 0.00 0.00 0.96 0.00 0.00 10 Q 9.34 4.82 0.00 1.60 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 11 F 9.21 3.70 0.00 2.66 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 12 Y 7.97 4.39 0.00 3.17 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 13 E 7.59 4.12 0.00 2.08 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 2.06 1.47 0.00 14 T 7.19 4.74 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 1.16 0.00 0.00 15 D 8.21 4.84 0.00 2.88 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 16 A 8.55 4.13 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 17 Q 8.68 4.04 0.00 1.98 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 18 G 8.77 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 19 I 7.17 4.98 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 1.05 0.00 0.00 20 V 8.28 4.14 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 0.64 0.00 0.00 0.96 0.00 0.00 21 H 8.85 4.37 0.00 3.22 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 H 8.72 4.02 0.00 2.77 2.65 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.76 4.55 0.00 4.17 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 0.00 24 N 8.28 4.34 0.00 2.54 2.21 0.00 0.00 6.88 7.04 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 25 Y 7.66 3.13 0.00 2.47 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 0.00 0.00 0.00 26 F 7.28 4.23 0.00 3.26 3.18 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 27 R 7.55 3.95 0.00 1.79 1.92 0.00 3.26 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 28 Y 7.37 4.39 0.00 2.68 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 29 F 7.87 4.33 0.00 2.93 2.03 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 30 E 8.37 4.05 0.00 2.15 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 2.36 2.43 0.00 31 E 8.10 3.81 0.00 2.22 1.67 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 2.40 2.55 0.00 32 A 7.51 3.39 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.78 0.00 2.15 2.22 0.00 3.24 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.50 0.00 34 G 8.34 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.37 4.08 0.00 2.34 2.33 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 2.65 2.58 0.00 36 F 8.09 2.71 0.00 2.57 2.88 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 0.00 0.00 0.00 37 L 7.54 3.53 0.00 1.67 1.61 1.16 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.35 3.95 0.00 1.97 2.06 0.00 3.29 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 S 7.78 4.32 0.00 4.14 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 40 K 7.13 4.03 0.00 1.86 1.64 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.32 7.81 *52 L 6.85 4.34 0.00 1.66 1.70 0.93 0.79 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 53 E 8.34 4.67 0.00 2.02 1.78 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 2.29 2.31 0.00 54 V 8.61 4.58 2.21 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 1.05 0.00 0.00 1.08 0.00 0.00 55 V 8.95 4.50 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 0.90 0.00 0.00 0.96 0.00 0.00 56 L 8.43 4.59 0.00 1.72 1.58 0.96 1.00 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 57 L 8.63 4.34 0.00 1.50 1.65 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.78 4.91 0.00 2.80 2.85 0.00 0.00 5.86 7.00 0.00 0.00 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 A 8.33 5.30 1.28 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 60 Y 9.48 5.02 0.00 3.07 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 61 C 7.70 4.74 0.00 2.65 2.42 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 62 E 8.66 4.50 0.00 2.00 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 2.31 2.17 0.00 63 Y 8.71 4.43 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.28 4.33 0.00 1.64 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.51 7.81 65 K 7.69 4.63 0.00 1.64 1.61 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.33 7.81 66 P 0.00 4.50 0.00 1.68 1.95 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.00 0.00 67 L 8.13 4.43 0.00 1.39 1.30 -0.15 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 68 F 9.62 5.43 0.00 3.02 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 69 Y 8.78 4.34 0.00 2.87 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 70 D 8.57 4.40 0.00 1.75 2.48 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 71 D 8.16 4.54 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.37 4.60 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 0.71 0.00 0.00 0.86 0.00 0.00 73 F 8.70 5.29 0.00 3.17 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 74 E 9.46 5.11 0.00 2.06 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 2.14 2.26 0.00 75 V 9.23 4.89 2.48 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 1.40 0.00 0.00 1.33 0.00 0.00 76 H 9.52 5.42 0.00 3.29 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.99 4.94 0.00 1.82 1.59 0.50 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.63 5.12 0.00 2.74 2.52 0.00 0.00 6.57 6.24 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 79 L 8.53 4.69 0.00 1.76 1.61 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.87 4.22 0.00 1.95 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 2.27 2.26 0.00 81 E 7.70 4.63 0.00 2.01 1.67 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 2.27 2.27 0.00 82 L 8.56 4.77 0.00 1.57 1.54 0.88 0.89 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 83 S 8.54 4.14 0.00 3.97 3.81 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 *86 T 7.83 4.86 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 1.16 0.00 0.00 87 F 8.04 5.33 0.00 2.78 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 88 T 8.98 5.01 4.14 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 1.22 0.00 0.00 89 F 8.98 5.51 0.00 2.80 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 0.00 0.00 0.00 90 S 8.85 5.09 0.00 3.76 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 91 Y 8.96 5.64 0.00 2.27 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 4.76 1.77 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.01 0.00 0.00 93 V 9.06 4.70 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 0.98 0.00 0.00 1.17 0.00 0.00 94 F 9.08 5.34 0.00 2.98 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 95 K 8.79 4.60 0.00 1.85 1.68 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 96 E 9.26 3.76 0.00 2.20 1.90 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 2.12 1.88 0.00 97 D 8.32 4.32 0.00 2.82 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 98 I 7.35 4.27 2.08 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 1.29 0.89 0.96 0.00 0.00 99 A 8.81 3.77 1.08 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 0.00 0.00 100 V 9.12 4.08 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 0.69 0.00 0.00 0.92 0.00 0.00 101 A 7.51 4.74 1.03 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 0.00 102 K 8.42 5.07 0.00 1.43 1.63 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.22 7.81 103 A 8.87 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 N 9.17 5.61 0.00 2.87 2.94 0.00 0.00 6.91 6.76 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 0.00 105 T 9.12 5.22 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 1.52 0.00 0.00 106 K 8.82 4.78 0.00 1.75 1.55 0.00 1.51 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.19 1.25 7.81 107 H 8.07 5.29 0.00 1.40 2.86 0.00 5.70 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.35 5.02 0.00 3.00 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 0.00 109 M 8.88 5.05 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 110 V 8.62 4.15 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 0.70 0.00 0.00 0.93 0.00 0.00 111 K 8.73 4.31 0.00 1.71 1.77 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 112 N 8.41 4.53 0.00 2.84 2.60 0.00 0.00 6.83 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 * Residues marked with a * may have inaccurate shift predictions.