NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3050 8.2531 123.5812 53.3535 19.5598 175.1539 3 G 4.2240 8.1032 110.9869 44.7827 0.0000 169.8814 4 D 4.5802 8.1752 123.6188 53.8534 42.4976 174.2436 5 T 4.7803 8.3275 117.7927 61.6273 69.9757 174.1796 6 T 4.7392 8.2118 111.9361 62.8213 70.1635 173.4288 7 I 4.5522 8.5659 121.2637 60.4133 41.9567 173.2493 8 T 5.3514 8.4777 123.6875 61.8222 71.8346 173.2926 9 I 4.7574 8.9325 118.0312 59.3214 41.6240 173.9608 10 V 4.9870 7.5546 123.0291 60.6307 34.0739 174.8769 11 G 4.1528 8.0369 113.3706 46.1314 0.0000 171.1350 12 N 6.3000 8.1976 116.4938 50.3639 42.7250 174.2625 13 L 4.7004 8.3114 122.3094 54.9031 42.2762 178.2258 14 T 4.2649 8.6956 114.7637 64.7333 69.2370 174.1110 15 A 4.5749 7.8463 121.5957 50.4602 22.0563 175.1008 16 D 4.3999 8.6656 119.0730 54.4121 41.2883 175.5913 17 P 4.3289 0.0000 0.0000 63.1930 32.3920 176.7576 18 E 4.3636 8.6366 123.8316 54.9161 28.8998 175.8241 19 L 4.2587 8.2982 125.7107 54.7785 43.5051 175.3365 20 R 4.5295 6.8035 122.9063 56.4607 34.4562 172.4569 21 F 5.5494 9.0140 120.2959 54.8593 43.7084 173.5201 22 T 4.7456 8.3649 108.7352 59.3990 71.6631 174.9185 23 S 4.1722 8.9328 117.3754 62.1604 62.9262 176.6726 24 S 4.1725 8.1802 114.7249 60.7131 62.6236 175.4688 25 G 4.0915 8.7732 106.3818 45.0497 0.0000 173.0862 26 A 4.2918 8.0069 123.0513 51.5636 19.3988 176.9238 27 A 4.0843 8.3538 123.7275 50.8407 19.4835 176.4445 28 V 4.2091 8.0707 120.9060 60.8759 34.9891 174.3042 29 V 5.2934 8.5606 127.5378 60.4126 34.3929 173.8848 30 N 5.6133 8.5597 123.2134 51.5917 42.6371 173.2433 31 F 4.9369 8.2998 116.7083 56.3721 42.3419 172.7982 32 T 5.1152 8.7137 114.7759 61.7914 72.2629 173.1683 33 V 4.7875 9.1446 125.8279 61.2833 33.9848 174.1922 34 A 4.3064 9.2717 130.5534 50.4582 20.4436 175.4237 35 S 4.8888 8.6770 117.4756 57.0091 65.9048 173.0938 36 T 4.7509 8.3616 116.6419 59.0043 69.7850 172.2195 37 P 4.0734 0.0000 0.0000 65.4706 31.8207 177.3889 *48 K 4.0798 7.6087 119.8346 54.7118 32.6870 180.2096 49 D 4.3074 7.3574 118.7983 54.6322 42.1606 176.3352 50 G 3.9065 7.5499 113.5247 47.4551 0.0000 171.8777 51 E 5.8183 9.0063 132.5380 55.9371 30.9499 176.2262 52 A 4.0938 8.0557 125.3951 52.4649 19.2082 175.9939 53 L 4.6454 9.2048 123.9873 53.2357 44.7397 175.2055 54 F 5.0904 9.0302 124.6962 56.0007 40.8561 174.4038 55 L 4.6770 8.4565 124.7226 53.0230 43.7850 176.1067 56 R 4.6541 8.4750 123.8799 55.9125 31.8213 174.6506 57 C 5.1774 8.7939 123.0443 57.8407 32.2550 172.5829 58 N 5.3824 8.8853 119.4510 51.4522 41.5842 173.3876 59 I 4.9408 8.7853 122.8444 59.1888 42.1091 173.9524 60 W 5.1422 8.8756 126.7644 54.6811 33.2546 175.9660 61 R 3.5511 9.0133 119.3137 57.3244 29.2123 178.0897 62 E 3.8847 9.0120 118.2282 60.9299 29.5188 178.8576 63 A 3.9956 8.1882 119.5384 55.2117 18.4085 179.2044 64 A 3.9528 7.8755 118.5079 55.4107 18.5030 179.4846 65 E 3.8547 8.0398 116.8763 59.7745 29.5220 179.1984 66 N 4.2708 8.1991 116.2433 56.5076 38.6747 177.3070 67 V 3.4452 7.8208 118.9162 66.0844 31.3720 177.5019 68 A 3.9199 7.7171 119.0523 55.5853 18.2203 178.9723 69 E 4.0272 8.0492 116.1676 59.0683 29.7709 178.8081 70 S 4.3112 8.0350 114.4881 60.0720 63.5663 174.7237 71 L 4.5210 7.5027 119.9944 53.8038 43.0026 175.4957 72 T 4.6557 7.7061 109.4475 59.8471 71.8995 173.2828 73 R 4.0321 9.0441 118.8519 57.3773 29.7176 177.6328 74 G 3.9314 9.2205 107.6718 45.5170 0.0000 174.0576 75 A 4.0847 7.4722 122.7744 52.1688 19.7468 176.5886 76 R 4.8121 8.6346 122.8283 55.8271 31.6702 175.6176 77 V 4.9939 9.2870 119.2828 59.5853 36.3758 174.4931 78 I 4.9007 9.2569 123.8494 59.6637 39.7372 174.9712 79 V 5.0047 9.3276 127.6304 61.1513 34.3342 174.2795 80 T 5.0288 9.1037 117.3587 60.0304 71.9806 174.1601 81 G 4.1924 8.2173 109.3295 45.9674 0.0000 171.6423 82 R 5.0838 7.6790 115.2695 53.9531 32.4296 175.7519 83 L 4.5890 8.2914 121.4906 55.2933 42.3774 176.3822 84 K 4.7478 9.5983 122.9092 54.9913 36.5792 174.6918 85 Q 4.9881 8.5980 121.6637 54.1600 31.8473 174.7488 86 R 4.7125 9.4808 124.3300 54.5275 34.1511 174.1557 87 S 4.9332 8.6539 120.8769 57.2770 63.9466 175.7223 *88 F 4.7561 8.2598 128.2413 56.3432 38.1158 173.0449 89 E 4.3265 8.4217 123.4250 56.3517 29.5418 176.4170 90 T 4.7073 7.7209 117.3835 61.8541 68.7398 175.7673 91 R 4.5795 8.8249 117.4300 56.6204 31.8784 176.7981 *96 R 4.8896 7.6872 121.5155 57.1661 33.5234 180.0756 97 T 4.9259 8.7420 108.6243 62.2374 70.0092 173.3518 98 V 4.5477 8.6033 123.1201 59.9667 35.0345 174.2413 99 V 4.7173 8.2695 121.6780 61.7972 32.7554 174.6311 100 E 4.9418 9.5241 126.4610 54.5821 34.4599 174.4668 101 V 4.5574 8.5172 120.9521 61.4832 33.5661 175.0139 102 E 4.7882 9.3316 129.2978 54.5482 28.4617 174.7632 103 V 3.7261 8.0190 122.1135 64.1146 31.7782 174.2757 104 D 4.8566 9.9459 127.7303 55.6254 42.8491 176.2141 105 E 4.9037 7.9173 115.9985 54.9806 34.3291 174.3526 106 I 5.0875 8.2914 121.6801 60.0201 41.2899 173.8138 107 G 4.2943 8.8086 114.1411 44.0876 0.0000 169.9533 108 P 5.0746 0.0000 0.0000 61.8517 31.9468 176.4618 109 S 4.0600 8.5202 121.0341 58.2274 62.6281 173.7329 110 L 4.6418 8.3749 125.8991 54.4387 41.3533 177.9679 111 R 3.8332 7.4677 122.3789 59.1529 29.9436 177.0452 112 Y 4.9729 7.4447 112.1645 57.1030 39.5287 173.8812 113 A 4.4964 7.5729 121.6314 52.0073 21.8951 175.9076 114 T 4.6891 8.2811 108.6643 59.9300 71.6531 173.3528 115 A 4.5406 8.1936 125.9717 51.1184 22.1827 176.8027 116 K 4.3216 8.4417 122.8442 53.0513 31.9419 177.2067 117 V 3.9602 8.0975 124.5276 62.3118 32.2502 176.0683 118 N 4.7958 8.4110 122.8172 52.5326 39.9391 174.5526 119 K 3.9048 8.1350 123.7646 54.2439 32.8034 176.8841 120 A 4.3937 8.3641 119.6174 53.1180 19.1457 177.2193 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 A 8.25 4.30 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 3 G 8.10 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.18 4.58 0.00 2.64 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 5 T 8.33 4.78 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 6 T 8.21 4.74 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 7 I 8.57 4.55 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 1.23 1.09 0.98 0.00 0.00 8 T 8.48 5.35 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 1.26 0.00 0.00 9 I 8.93 4.76 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.91 0.00 0.00 10 V 7.55 4.99 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 1.25 0.00 0.00 0.93 0.00 0.00 11 G 8.04 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 0.00 0.00 0.00 0.00 12 N 8.20 6.30 0.00 2.64 2.82 0.00 0.00 6.98 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 13 L 8.31 4.70 0.00 1.60 1.76 0.78 0.64 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 14 T 8.70 4.26 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 1.47 0.00 0.00 15 A 7.85 4.57 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 16 D 8.67 4.40 0.00 2.66 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 17 P 0.00 4.33 0.00 1.87 1.90 0.00 3.72 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 1.87 1.90 0.00 18 E 8.64 4.36 0.00 2.16 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 2.30 2.27 0.00 19 L 8.30 4.26 0.00 1.60 1.56 0.62 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 20 R 6.80 4.53 0.00 1.96 1.73 0.00 3.04 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 21 F 9.01 5.55 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 22 T 8.36 4.75 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 1.22 0.00 0.00 23 S 8.93 4.17 0.00 3.92 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 24 S 8.18 4.17 0.00 4.04 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 25 G 8.77 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 26 A 8.01 4.29 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.35 4.08 0.88 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 0.00 0.00 28 V 8.07 4.21 1.57 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 0.08 0.00 0.00 -0.21 0.00 0.00 29 V 8.56 5.29 2.16 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 1.12 0.00 0.00 0.86 0.00 0.00 30 N 8.56 5.61 0.00 2.59 2.56 0.00 0.00 6.62 8.13 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 31 F 8.30 4.94 0.00 3.06 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 32 T 8.71 5.12 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 1.50 0.00 0.00 33 V 9.14 4.79 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 0.97 0.00 0.00 1.16 0.00 0.00 34 A 9.27 4.31 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 35 S 8.68 4.89 0.00 3.90 3.58 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 36 T 8.36 4.75 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 1.14 0.00 0.00 37 P 0.00 4.07 0.00 2.19 2.22 0.00 3.77 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 1.99 1.97 0.00 *48 K 7.61 4.08 0.00 1.82 1.73 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 49 D 7.36 4.31 0.00 2.63 2.63 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 50 G 7.55 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 51 E 9.01 5.82 0.00 2.10 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 0.00 2.10 1.99 0.00 52 A 8.06 4.09 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 53 L 9.20 4.65 0.00 1.64 1.60 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.03 5.09 0.00 2.92 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 55 L 8.46 4.68 0.00 1.62 1.56 0.92 0.71 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 56 R 8.47 4.65 0.00 1.92 1.74 0.00 3.13 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 57 C 8.79 5.18 0.00 1.30 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 0.00 0.00 0.00 0.00 58 N 8.89 5.38 0.00 2.80 2.68 0.00 0.00 6.29 6.84 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 59 I 8.79 4.94 2.12 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.88 1.22 0.00 0.00 60 W 8.88 5.14 0.00 3.20 3.11 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 61 R 9.01 3.55 0.00 2.07 1.82 0.00 3.26 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 62 E 9.01 3.88 0.00 2.00 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 2.46 2.40 0.00 63 A 8.19 4.00 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 64 A 7.88 3.95 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 65 E 8.04 3.85 0.00 2.20 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 0.00 2.28 2.60 0.00 66 N 8.20 4.27 0.00 2.93 2.88 0.00 0.00 6.73 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 67 V 7.82 3.45 2.20 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 0.51 0.00 0.00 0.92 0.00 0.00 68 A 7.72 3.92 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 69 E 8.05 4.03 0.00 1.99 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 2.31 2.35 0.00 70 S 8.04 4.31 0.00 3.88 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 71 L 7.50 4.52 0.00 1.41 1.46 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 T 7.71 4.66 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 73 R 9.04 4.03 0.00 1.90 2.21 0.00 3.13 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 74 G 9.22 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 75 A 7.47 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.63 4.81 0.00 2.08 1.87 0.00 3.36 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 77 V 9.29 4.99 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 0.78 0.00 0.00 0.97 0.00 0.00 78 I 9.26 4.90 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.90 0.91 0.00 0.00 79 V 9.33 5.00 2.16 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 1.21 0.00 0.00 1.09 0.00 0.00 80 T 9.10 5.03 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 81 G 8.22 4.19 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 0.00 0.00 0.00 82 R 7.68 5.08 0.00 1.96 2.02 0.00 2.96 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 83 L 8.29 4.59 0.00 1.57 1.65 0.92 0.89 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 84 K 9.60 4.75 0.00 1.73 1.57 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 85 Q 8.60 4.99 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 86 R 9.48 4.71 0.00 1.82 1.74 0.00 3.09 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 87 S 8.65 4.93 0.00 3.80 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 *88 F 8.26 4.76 0.00 2.03 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 0.00 0.00 0.00 0.00 89 E 8.42 4.33 0.00 2.04 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 2.37 2.35 0.00 90 T 7.72 4.71 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 91 R 8.82 4.58 0.00 1.76 1.93 0.00 3.28 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 *96 R 7.69 4.89 0.00 1.53 1.17 0.00 3.31 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 0.00 97 T 8.74 4.93 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 98 V 8.60 4.55 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 0.76 0.00 0.00 0.93 0.00 0.00 99 V 8.27 4.72 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 0.94 0.00 0.00 100 E 9.52 4.94 0.00 1.87 1.76 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 0.00 2.19 2.21 0.00 101 V 8.52 4.56 2.01 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 0.97 0.00 0.00 0.91 0.00 0.00 102 E 9.33 4.79 0.00 2.00 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 2.33 2.39 0.00 103 V 8.02 3.73 2.30 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 0.88 0.00 0.00 1.01 0.00 0.00 104 D 9.95 4.86 0.00 2.54 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 0.00 105 E 7.92 4.90 0.00 1.76 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 0.00 2.24 2.41 0.00 106 I 8.29 5.09 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.96 0.00 0.00 107 G 8.81 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 0.00 0.00 0.00 0.00 108 P 0.00 5.07 0.00 1.94 1.99 0.00 3.67 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 109 S 8.52 4.06 0.00 3.88 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 0.00 110 L 8.37 4.64 0.00 1.64 1.64 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.47 3.83 0.00 1.46 1.50 0.00 2.95 0.00 0.00 2.82 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 112 Y 7.44 4.97 0.00 2.95 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 0.00 113 A 7.57 4.50 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 0.00 114 T 8.28 4.69 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 1.22 0.00 0.00 115 A 8.19 4.54 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 0.00 116 K 8.44 4.32 0.00 1.78 1.64 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.31 0.98 7.81 117 V 8.10 3.96 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 0.91 0.00 0.00 0.93 0.00 0.00 118 N 8.41 4.80 0.00 2.66 2.66 0.00 0.00 6.86 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 0.00 119 K 8.13 3.90 0.00 1.81 1.63 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.37 1.05 7.81 120 A 8.36 4.39 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 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.