NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2376 8.3344 116.7854 58.4616 65.4301 173.6484 -7 D 5.3109 7.4675 125.7209 51.5963 40.7687 174.4028 -6 P 4.2074 0.0000 0.0000 65.7440 32.2291 177.8877 -5 S 5.0354 7.9945 110.8317 58.9379 63.0145 174.6226 -4 S 4.7568 8.5977 116.5674 58.3188 63.9912 176.0086 -3 I 4.3789 7.7855 122.9359 63.3142 37.6518 177.7038 -2 N 5.0605 7.6212 116.1204 52.5693 39.5783 176.5146 -1 G 3.9824 7.8748 103.2649 45.0899 0.0000 172.0799 -7 G 4.6309 7.4575 114.1209 42.4963 0.0000 173.0027 -6 I 3.9574 9.3080 128.7058 63.5440 38.9291 176.9877 -5 V 4.6854 7.7145 114.3317 62.8379 32.1145 176.3226 -4 V 4.4068 8.3177 120.0674 62.2188 33.0912 177.7086 -3 A 4.5289 8.0255 126.8359 54.7142 17.9518 179.1038 -2 M 4.8005 7.5012 117.0204 54.8693 33.5783 177.6146 -1 T 4.3724 7.6948 108.0649 61.7899 67.7956 171.8799 8 G 3.9100 8.4354 110.5898 44.3899 0.0000 171.4910 9 K 4.0435 8.6771 122.1021 56.7212 31.8603 176.8305 10 D 4.4825 8.7711 127.0203 54.5635 38.7168 173.1268 11 C 4.7284 7.4879 110.0465 57.4766 32.3265 172.4964 12 V 4.9775 7.8569 112.0603 59.8971 35.4888 174.5914 13 A 4.6513 8.3767 123.0873 50.2567 22.1308 175.3507 14 I 5.1330 8.2052 120.5157 59.3032 40.8611 174.1615 15 A 4.9619 8.5629 129.5014 50.6589 22.4581 174.1942 16 C 5.3876 8.3613 112.8689 57.2768 33.0002 172.9608 17 D 4.8207 8.5126 119.9203 52.6985 41.1627 175.7939 18 L 4.9786 8.2590 115.1190 53.6444 43.4120 176.9783 19 R 4.3213 8.0078 119.8165 56.5374 31.2342 176.0021 20 L 4.2758 8.5994 127.1301 54.3111 45.0401 174.4034 21 G 4.5138 8.4378 112.8935 44.5955 0.0000 171.0926 22 S 4.6869 8.7936 113.8582 56.8651 63.8459 174.5904 23 Q 3.5463 8.2797 130.3262 57.0062 27.0082 177.0286 24 S 4.1704 8.8239 120.8625 61.5964 63.3392 174.0530 25 L 4.0109 7.7768 124.5593 54.4736 41.8387 176.1893 26 G 4.0346 8.5450 115.8893 45.5051 0.0000 171.7318 27 V 4.1775 8.4609 120.8545 63.6207 33.6694 175.4764 28 S 4.8591 8.3280 114.0054 56.3900 64.9615 173.3812 29 N 5.4924 8.7175 122.6436 52.8120 37.4883 174.6711 30 K 4.5382 7.9491 114.7251 56.7794 34.2798 177.2529 31 F 4.4287 8.3247 124.6080 57.9647 38.5835 173.9977 32 E 4.1156 8.1854 123.9704 55.6263 30.4102 176.5828 33 K 4.2534 8.3560 120.0167 55.9915 34.1727 175.0472 34 I 4.6799 7.0593 120.8986 59.5041 39.3622 174.7528 35 F 4.9575 9.4221 124.6916 56.1171 44.0369 173.3721 36 H 4.7262 7.4058 112.6910 53.9509 30.9670 172.4080 *38 Y 4.8270 7.8303 117.8897 58.7635 39.1665 175.1031 39 G 3.8092 8.2243 116.3126 47.3693 0.0000 173.4261 40 H 4.6636 8.8819 120.4185 55.0256 29.2158 174.4211 41 V 4.1603 7.4323 121.9044 61.9183 32.9418 174.4530 42 F 5.0096 9.1827 126.7844 55.6959 41.5772 174.4954 43 L 5.2812 9.4103 125.0831 53.3860 45.1392 175.1497 44 G 4.5642 9.5892 113.8420 44.7357 0.0000 172.2727 45 I 5.2235 8.8800 124.0590 59.7516 40.6896 175.1660 46 T 4.4833 8.4318 117.5009 60.1481 71.6099 172.3188 47 G 4.1357 8.8172 105.3279 44.0113 0.0000 173.5921 48 L 4.1550 9.1590 125.1041 54.8463 42.5995 178.0874 49 A 4.1591 10.2430 128.8022 56.0213 18.0565 179.0599 50 T 3.8271 7.9677 110.6563 65.4338 67.4397 175.8380 51 D 4.3666 8.1629 120.4501 56.8054 41.0966 178.6717 52 V 3.6533 7.9224 118.9572 66.3405 31.5845 178.2258 53 T 3.8051 8.2860 115.4734 66.9965 68.3295 176.6119 54 T 3.7580 8.0321 117.7603 66.8740 68.4231 176.6174 55 L 3.3972 8.1018 120.8959 57.3006 41.5226 179.1892 56 N 4.4745 7.6670 118.1248 56.3374 38.8751 176.7479 57 E 3.9514 8.0806 120.0043 59.5239 29.3781 179.2541 58 M 3.7130 7.8003 118.1505 58.7342 32.3164 178.4760 59 F 4.2750 7.9020 117.9275 59.9541 38.8804 177.8873 60 R 3.7318 7.9701 118.8806 59.4145 29.8095 177.5551 61 Y 4.0184 7.8767 119.3395 60.9073 38.7254 178.5645 62 K 4.2562 8.5942 119.7321 59.7944 32.2547 179.6286 63 T 3.9846 8.4064 110.4098 64.5847 68.5957 176.4610 64 N 4.3372 8.3764 119.6549 56.3498 38.6459 177.3536 65 L 3.9958 7.6791 120.4064 57.7791 41.6778 178.7987 66 Y 4.0180 8.2743 119.6422 60.6966 38.6246 178.3132 67 K 4.4497 8.2484 121.7957 59.0957 32.1124 178.8433 68 L 3.9587 7.7400 118.2508 57.2514 41.5277 179.2425 69 K 4.1447 7.7646 117.4160 59.1765 32.5694 178.9844 70 E 3.8417 8.2622 117.3353 56.8024 29.5555 176.7625 71 E 3.8699 8.2729 117.4485 56.7012 27.5437 174.1575 72 R 4.4402 7.2782 110.6031 55.3625 31.8123 173.5263 73 A 4.3834 8.5286 122.4896 51.4641 19.3337 177.6623 74 I 3.7946 8.2161 121.5629 61.1652 38.3341 175.8325 75 E 4.6232 8.3024 124.6342 54.1266 32.5420 175.5261 76 P 4.3238 0.0000 0.0000 66.1030 31.2933 178.5928 77 E 3.9698 8.2525 116.4336 59.9183 29.4465 179.5562 78 T 3.8577 7.8577 114.8492 66.6559 68.6441 176.2011 79 F 4.0538 8.5633 122.8964 61.6735 39.2801 177.0421 80 T 3.6817 8.1544 115.4022 66.9338 68.2685 176.5193 81 Q 3.9126 7.7051 119.8195 58.7181 28.6820 178.4974 82 L 3.9134 7.7541 121.5002 57.9083 42.0930 179.2604 83 V 3.3516 7.6699 118.5268 65.7861 31.4094 177.8108 84 S 4.0772 8.0233 113.1996 61.5935 62.3606 176.3943 85 S 4.1962 8.1415 116.8068 61.6085 62.4918 176.5444 86 S 4.1879 7.9507 118.0077 61.2239 62.8333 176.4081 87 L 4.2487 8.1320 121.8102 58.0011 41.5396 178.8559 88 Y 3.9491 8.2409 119.1229 60.0717 38.4677 177.1899 89 E 4.0903 8.0488 118.9662 57.7958 29.9886 176.9787 90 R 4.4052 7.4771 118.3476 55.6069 31.0208 177.9502 91 R 3.2614 7.0553 120.6123 59.0347 29.7341 177.3062 92 F 4.9610 7.0456 113.8591 56.9070 39.9929 175.8805 93 G 4.2290 7.2646 103.1493 44.7435 0.0000 172.4277 94 P 4.0714 0.0000 0.0000 62.4338 32.5491 175.9948 95 Y 4.2484 7.7820 117.1641 57.7222 38.8874 176.8723 96 F 4.6700 9.1037 125.2579 56.4891 37.5500 174.6345 97 V 5.0257 7.8488 114.1422 59.5860 36.6011 176.2048 98 G 4.1740 9.0976 108.5597 43.9138 0.0000 170.3652 99 P 5.0664 0.0000 0.0000 62.7926 33.0297 175.8017 100 V 4.4571 9.1415 121.9841 61.4767 34.9307 173.8939 101 V 5.0953 8.6178 127.2091 61.2776 33.7291 174.5201 102 A 4.7272 9.0861 128.4283 50.1621 22.8180 175.4268 103 G 4.3784 7.9497 107.8461 46.6603 0.0000 172.0591 104 I 4.5873 8.2598 120.4093 58.9750 39.3075 175.7337 105 N 4.9671 8.7469 121.8510 53.4492 38.7773 174.3282 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 -8 S 8.33 4.24 0.00 3.84 3.88 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 -7 D 7.47 5.31 0.00 2.75 2.53 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 -6 P 0.00 4.21 0.00 1.31 1.54 0.00 3.24 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.60 0.00 -5 S 7.99 5.04 0.00 4.07 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 -4 S 8.60 4.76 0.00 3.76 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 -3 I 7.79 4.38 1.84 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 1.54 1.33 0.88 0.00 0.00 -2 N 7.62 5.06 0.00 2.75 2.73 0.00 0.00 7.64 7.58 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 -1 G 7.87 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 -7 G 7.46 4.63 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 0.00 0.00 0.00 0.00 -6 I 9.31 3.96 1.87 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 1.41 1.13 0.91 0.00 0.00 -5 V 7.71 4.69 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 0.84 0.00 0.00 0.93 0.00 0.00 -4 V 8.32 4.41 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 0.82 0.00 0.00 0.93 0.00 0.00 -3 A 8.03 4.53 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 -2 M 7.50 4.80 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.48 0.00 -1 T 7.69 4.37 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 1.21 0.00 0.00 8 G 8.44 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 9 K 8.68 4.04 0.00 1.70 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.77 4.48 0.00 2.81 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 11 C 7.49 4.73 0.00 3.01 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 12 V 7.86 4.98 2.04 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 0.69 0.00 0.00 0.86 0.00 0.00 13 A 8.38 4.65 1.10 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 0.00 0.00 14 I 8.21 5.13 1.81 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 1.28 0.97 0.72 0.00 0.00 15 A 8.56 4.96 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 0.00 0.00 0.00 0.00 0.00 16 C 8.36 5.39 0.00 3.05 2.83 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 17 D 8.51 4.82 0.00 2.72 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 18 L 8.26 4.98 0.00 1.62 1.75 0.98 0.98 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 19 R 8.01 4.32 0.00 1.85 2.01 0.00 3.25 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.60 4.28 0.00 1.53 1.40 0.75 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.44 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.69 0.00 3.75 3.70 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 23 Q 8.28 3.55 0.00 2.23 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 24 S 8.82 4.17 0.00 3.97 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 25 L 7.78 4.01 0.00 1.69 1.75 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.54 4.03 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 0.00 27 V 8.46 4.18 2.19 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 0.83 0.00 0.00 0.97 0.00 0.00 28 S 8.33 4.86 0.00 3.86 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 29 N 8.72 5.49 0.00 2.84 2.85 0.00 0.00 5.87 7.13 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 30 K 7.95 4.54 0.00 1.64 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.32 4.43 0.00 3.12 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 32 E 8.19 4.12 0.00 1.59 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 2.22 2.37 0.00 33 K 8.36 4.25 0.00 1.61 1.96 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.54 7.81 34 I 7.06 4.68 1.73 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 1.21 0.77 1.00 0.00 0.00 35 F 9.42 4.96 0.00 2.69 2.61 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 36 H 7.41 4.73 0.00 1.95 1.67 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.83 4.83 0.00 2.69 2.83 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 39 G 8.22 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 0.00 0.00 0.00 40 H 8.88 4.66 0.00 3.34 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.43 4.16 1.77 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 0.75 0.00 0.00 0.68 0.00 0.00 42 F 9.18 5.01 0.00 3.20 2.93 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 43 L 9.41 5.28 0.00 2.07 1.78 1.12 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.59 4.56 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 45 I 8.88 5.22 2.13 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 1.05 0.00 0.00 46 T 8.43 4.48 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 1.28 0.00 0.00 47 G 8.82 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 0.00 0.00 0.00 0.00 48 L 9.16 4.16 0.00 1.88 1.76 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.24 4.16 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.97 3.83 4.28 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 1.29 0.00 0.00 51 D 8.16 4.37 0.00 3.07 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 52 V 7.92 3.65 2.62 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 1.41 0.00 0.00 1.26 0.00 0.00 53 T 8.29 3.81 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 1.25 0.00 0.00 54 T 8.03 3.76 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 1.01 0.00 0.00 55 L 8.10 3.40 0.00 1.58 1.64 0.88 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.67 4.47 0.00 1.61 2.45 0.00 0.00 6.93 7.38 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 57 E 8.08 3.95 0.00 2.10 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 2.38 0.00 58 M 7.80 3.71 0.00 1.52 1.69 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 59 F 7.90 4.27 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.97 3.73 0.00 2.18 2.13 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 61 Y 7.88 4.02 0.00 3.16 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 62 K 8.59 4.26 0.00 1.97 1.98 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.56 1.63 7.81 63 T 8.41 3.98 4.20 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 1.03 0.00 0.00 64 N 8.38 4.34 0.00 2.92 2.86 0.00 0.00 6.89 6.25 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 65 L 7.68 4.00 0.00 1.87 1.74 0.96 0.62 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 66 Y 8.27 4.02 0.00 3.18 3.19 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 67 K 8.25 4.45 0.00 2.14 1.99 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.54 7.81 68 L 7.74 3.96 0.00 1.84 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.76 4.14 0.00 1.60 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.59 7.81 70 E 8.26 3.84 0.00 1.55 1.72 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 1.51 1.47 0.00 71 E 8.27 3.87 0.00 2.07 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 2.22 2.19 0.00 72 R 7.28 4.44 0.00 1.98 1.99 0.00 3.02 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 73 A 8.53 4.38 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 74 I 8.22 3.79 1.18 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.19 0.68 0.00 0.00 75 E 8.30 4.62 0.00 2.05 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 2.41 2.39 0.00 76 P 0.00 4.32 0.00 2.19 2.16 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 77 E 8.25 3.97 0.00 2.07 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 2.42 2.50 0.00 78 T 7.86 3.86 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 1.19 0.00 0.00 79 F 8.56 4.05 0.00 2.99 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 80 T 8.15 3.68 4.40 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 1.16 0.00 0.00 81 Q 7.71 3.91 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.49 0.00 82 L 7.75 3.91 0.00 1.67 1.51 0.98 0.82 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 83 V 7.67 3.35 1.82 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 0.78 0.00 0.00 -0.58 0.00 0.00 84 S 8.02 4.08 0.00 3.93 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 85 S 8.14 4.20 0.00 4.12 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 86 S 7.95 4.19 0.00 4.25 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 87 L 8.13 4.25 0.00 1.94 1.77 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.24 3.95 0.00 3.14 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 89 E 8.05 4.09 0.00 2.17 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 0.00 2.26 2.31 0.00 90 R 7.48 4.41 0.00 1.71 1.64 0.00 2.84 0.00 0.00 2.80 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.13 0.00 91 R 7.06 3.26 0.00 0.67 0.92 0.00 2.74 0.00 0.00 2.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.05 4.96 0.00 2.99 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 93 G 7.26 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 0.00 0.00 0.00 94 P 0.00 4.07 0.00 1.85 1.82 0.00 3.59 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 1.40 1.81 0.00 95 Y 7.78 4.25 0.00 2.90 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 96 F 9.10 4.67 0.00 3.08 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 97 V 7.85 5.03 2.25 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 0.80 0.00 0.00 1.02 0.00 0.00 98 G 9.10 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 0.00 0.00 0.00 99 P 0.00 5.07 0.00 1.98 2.07 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 100 V 9.14 4.46 2.14 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 0.96 0.00 0.00 0.97 0.00 0.00 101 V 8.62 5.10 2.14 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 1.05 0.00 0.00 1.05 0.00 0.00 102 A 9.09 4.73 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 0.00 103 G 7.95 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 0.00 0.00 0.00 0.00 104 I 8.26 4.59 1.91 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 1.31 0.98 0.93 0.00 0.00 105 N 8.75 4.97 0.00 2.71 2.73 0.00 0.00 7.19 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.