NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1236 8.1127 120.8642 56.9513 29.9621 175.0678 3 V 3.2069 8.4338 122.1942 61.0314 30.0852 170.6458 4 K 4.5083 8.2003 118.3259 57.9960 35.0178 175.7858 5 M 3.7753 7.2321 118.2010 54.4756 32.7200 174.8836 6 H 4.6214 8.9079 115.6999 55.8829 31.0264 176.9505 7 V 3.3811 7.7614 119.4373 64.9762 33.3577 174.6714 8 K 4.4467 7.1780 118.3139 56.4513 35.0228 173.8739 9 K 4.0837 7.7438 121.4476 57.3492 37.4745 178.6425 10 G 4.0545 8.5716 104.6038 43.4877 0.0000 171.9327 11 D 4.4012 7.4210 124.0082 53.5005 42.6036 174.8691 12 T 4.7029 7.6820 115.6443 63.8514 69.8297 174.7147 13 V 4.8287 9.0295 118.3145 60.1521 36.7946 173.4176 14 L 4.8213 9.1807 125.8146 54.4027 44.1582 175.8327 15 V 4.6007 8.4623 125.1973 60.7340 32.4496 174.8700 16 A 4.9834 8.3767 132.4910 50.9024 18.6413 179.8323 17 S 4.8564 8.3935 122.6504 59.3340 64.2442 174.7384 18 G 3.7414 9.2688 107.5806 45.2449 0.0000 174.1968 19 K 3.8406 9.4945 125.4656 58.7808 33.1472 175.7657 20 Y 4.5279 7.7357 114.9450 57.1870 38.2859 175.1206 21 K 4.2343 7.4215 120.3118 56.9131 32.9812 176.3477 22 G 4.0689 8.6475 108.7139 46.0347 0.0000 171.8461 23 R 4.7024 7.3983 118.8749 55.2940 35.3040 174.1924 24 V 4.6484 8.4889 123.4174 61.8827 33.0125 175.2297 25 G 4.1900 9.1538 113.9862 44.2639 0.0000 173.7443 26 K 4.3154 8.4748 124.5884 55.3560 32.8069 176.1614 27 V 3.9497 8.6100 116.6866 62.5421 32.0275 176.6850 28 K 4.2707 8.2310 118.0518 58.1549 33.6002 177.4465 29 E 3.7176 8.1383 115.0772 57.5765 25.9196 175.6772 30 V 3.5414 7.4278 122.0525 63.0816 32.3363 174.4690 31 L 4.0446 7.7034 126.5028 54.6632 41.3670 175.4637 32 P 4.7974 0.0000 0.0000 62.5419 32.6319 177.0146 33 K 3.9333 8.1373 117.8699 58.4851 32.0577 176.6982 34 K 4.4134 7.3695 116.8375 54.8088 34.4557 174.6107 35 Y 3.1676 9.6142 118.1121 58.9057 37.1672 167.2020 36 A 4.8427 6.8765 121.8095 50.3779 23.7878 176.4913 37 V 4.1754 8.6299 114.4342 61.4757 34.3363 175.8612 38 I 4.4929 8.7679 125.8271 59.0942 44.9114 179.4665 39 V 3.8990 8.9912 126.1258 64.3869 30.3153 173.4361 40 E 4.7300 8.8719 114.3337 56.6496 35.5359 177.9018 41 G 3.4047 8.1225 111.5538 46.3529 0.0000 175.8869 42 V 2.7767 5.4500 121.3276 63.7980 30.4586 173.3415 43 N 4.7423 8.2801 122.9802 49.6714 41.4217 174.4238 44 I 3.6081 8.1204 121.3693 61.7439 37.2635 173.2632 45 V 4.1714 8.0232 122.1446 59.9992 33.3743 175.6850 46 K 4.3258 8.1932 126.0414 54.8143 34.3805 173.8430 47 K 4.8912 8.1477 117.2970 55.4631 36.6288 175.3215 48 A 4.3502 8.5375 121.8379 51.8690 18.0872 177.5190 49 V 3.2496 9.4703 111.4022 59.1355 31.2570 173.1812 50 R 4.2371 7.8718 125.0666 55.2889 28.7203 178.7374 51 V 4.9948 7.2926 125.1765 62.5089 30.7739 171.8752 52 S 5.8777 7.5811 131.6817 57.2935 62.4915 174.2728 53 P 4.2385 0.0000 0.0000 62.7145 31.9993 177.2623 54 K 3.7957 8.3601 117.4999 58.6019 31.8238 177.9121 55 Y 4.5661 8.0497 115.5729 56.9278 40.8889 174.3988 56 P 2.9839 0.0000 0.0000 60.0291 32.5716 174.7880 57 Q 3.3246 9.0262 134.5337 56.2601 26.9867 174.3899 58 G 3.8450 8.4333 112.6068 44.3913 0.0000 172.6484 59 G 3.9135 8.1670 114.9110 46.4139 0.0000 171.3386 60 F 6.0493 7.6458 133.9586 58.3506 40.9713 173.3522 61 I 4.6392 7.4618 118.7466 59.6244 40.0541 174.5620 62 E 4.4896 8.3053 123.9641 55.2694 32.7862 174.1808 63 K 4.1093 8.4709 119.4532 57.2250 32.6185 175.9971 64 E 4.3655 8.3632 118.6114 55.8275 30.3679 176.0491 65 A 4.5358 8.7141 124.8361 50.9173 20.9956 177.4922 66 P 2.9700 0.0000 0.0000 58.4789 33.4840 172.6169 67 L 3.6932 8.2622 130.9801 54.9995 42.1156 173.0423 68 H 4.2963 8.7861 125.7199 56.2856 30.1426 175.6371 69 A 3.7362 8.2365 130.3062 55.0964 18.2358 179.3707 70 S 4.3766 8.0444 109.1709 60.9215 63.0236 174.8338 71 K 4.2707 8.5336 118.6090 57.0167 32.2150 176.0386 72 V 4.7436 7.1237 118.3192 61.4504 33.2477 175.3259 73 R 4.8233 8.9448 125.6926 53.8060 34.0545 173.3614 74 P 5.0061 0.0000 0.0000 62.8812 32.8499 175.0967 75 I 4.8041 7.4919 118.5488 60.6189 41.2411 173.5640 76 C 4.4174 9.0075 124.4402 60.1967 34.4698 172.8943 77 P 3.9796 0.0000 0.0000 61.5355 28.3327 174.4732 78 A 4.6439 6.5466 127.5748 52.2213 22.2241 174.8121 79 C 4.9475 7.7893 116.0794 60.0484 30.3728 173.8876 80 G 3.2977 9.3243 112.0703 49.3591 0.0000 171.3954 81 K 3.9540 9.4271 132.4436 53.2889 30.4640 176.8507 82 P 4.6531 0.0000 0.0000 61.6493 32.1351 175.5463 83 T 4.8654 8.1499 108.0893 60.5127 71.5672 173.7111 84 R 4.7187 8.3260 122.4889 54.5749 33.8134 174.6048 85 V 4.9185 8.1936 118.4558 61.4625 34.1463 174.5999 86 R 4.3885 8.1706 125.7375 54.4687 32.6858 174.7202 87 K 3.7949 8.8570 120.9576 55.0997 31.2377 177.4650 88 K 4.2617 8.4700 120.7894 54.4300 30.8405 177.7111 89 F 3.8430 8.1558 114.9952 56.9011 37.4519 175.8661 90 L 4.7265 7.6748 125.7464 56.6970 42.2068 176.8454 91 E 4.3276 9.2279 113.5596 54.5973 29.1904 178.9779 92 N 5.1404 8.2777 135.0000 54.9834 41.0808 173.4926 93 G 4.2891 7.6190 117.7652 44.9081 0.0000 170.8464 94 K 5.4764 8.4974 122.2335 54.5909 34.8999 177.5063 95 K 4.6254 8.4330 134.0114 54.7477 33.7449 173.8390 96 I 4.6549 8.2419 120.6508 62.2062 36.2047 174.6667 97 R 4.3527 8.8897 120.7757 59.7896 29.4028 175.8954 98 V 4.5774 7.6993 113.7483 62.8203 40.3000 179.1164 99 C 3.8194 6.8624 115.3818 58.8708 30.0849 173.6473 100 A 4.1506 7.9132 118.6942 56.0010 19.6095 174.8702 101 K 4.6494 8.0451 121.2891 55.6440 35.0000 175.9008 *102 C 4.3630 8.2425 119.3000 58.0494 28.5244 174.6107 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 R 8.11 4.12 0.00 1.84 1.94 0.00 3.41 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 3 V 8.43 3.21 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 0.80 0.00 0.00 0.93 0.00 0.00 4 K 8.20 4.51 0.00 2.10 1.94 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.52 1.44 7.81 5 M 7.23 3.78 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 6 H 8.91 4.62 0.00 3.36 3.71 0.00 5.48 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.76 3.38 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 0.85 0.00 0.00 1.02 0.00 0.00 8 K 7.18 4.45 0.00 1.79 1.65 0.00 1.51 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.39 7.81 9 K 7.74 4.08 0.00 2.01 1.29 0.00 1.26 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.28 1.33 7.81 10 G 8.57 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 0.00 0.00 0.00 11 D 7.42 4.40 0.00 2.83 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 12 T 7.68 4.70 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 13 V 9.03 4.83 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 0.91 0.00 0.00 14 L 9.18 4.82 0.00 1.72 1.52 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.46 4.60 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 0.96 0.00 0.00 0.93 0.00 0.00 16 A 8.38 4.98 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 17 S 8.39 4.86 0.00 4.05 3.35 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 0.00 18 G 9.27 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 0.00 0.00 0.00 19 K 9.49 3.84 0.00 1.69 1.79 0.00 1.11 0.00 0.00 1.43 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.02 1.31 7.81 20 Y 7.74 4.53 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 21 K 7.42 4.23 0.00 1.96 1.76 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.46 7.81 22 G 8.65 4.07 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 0.00 23 R 7.40 4.70 0.00 1.80 1.83 0.00 3.20 0.00 0.00 3.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.11 0.00 24 V 8.49 4.65 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 0.77 0.00 0.00 0.94 0.00 0.00 25 G 9.15 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 26 K 8.47 4.32 0.00 1.72 1.66 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 27 V 8.61 3.95 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 1.05 0.00 0.00 0.95 0.00 0.00 28 K 8.23 4.27 0.00 1.98 1.91 0.00 1.34 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 E 8.14 3.72 0.00 2.01 2.32 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 2.24 2.34 0.00 30 V 7.43 3.54 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 0.80 0.00 0.00 0.88 0.00 0.00 31 L 7.70 4.04 0.00 1.69 1.49 0.90 0.90 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 32 P 0.00 4.80 0.00 2.20 2.31 0.00 3.74 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 2.00 2.00 0.00 33 K 8.14 3.93 0.00 1.77 1.94 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 34 K 7.37 4.41 0.00 1.66 1.73 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 35 Y 9.61 3.17 0.00 3.17 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 36 A 6.88 4.84 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 37 V 8.63 4.18 2.02 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 0.62 0.00 0.00 0.94 0.00 0.00 38 I 8.77 4.49 1.84 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 1.12 0.54 0.86 0.00 0.00 39 V 8.99 3.90 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 0.67 0.00 0.00 0.89 0.00 0.00 40 E 8.87 4.73 0.00 1.92 1.87 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 2.16 2.19 0.00 41 G 8.12 3.40 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 0.00 0.00 0.00 0.00 42 V 5.45 2.78 2.02 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 1.13 0.00 0.00 0.80 0.00 0.00 43 N 8.28 4.74 0.00 2.76 2.63 0.00 0.00 7.29 7.45 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 44 I 8.12 3.61 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.36 0.88 0.00 0.00 45 V 8.02 4.17 2.06 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 0.44 0.00 0.00 1.01 0.00 0.00 46 K 8.19 4.33 0.00 1.72 1.82 0.00 1.65 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.32 7.81 47 K 8.15 4.89 0.00 1.87 1.77 0.00 1.43 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 48 A 8.54 4.35 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 49 V 9.47 3.25 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 0.73 0.00 0.00 0.94 0.00 0.00 50 R 7.87 4.24 0.00 1.99 2.11 0.00 3.38 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 51 V 7.29 4.99 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 0.72 0.00 0.00 0.92 0.00 0.00 52 S 7.58 5.88 0.00 4.09 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.24 0.00 2.38 2.11 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.17 0.00 54 K 8.36 3.80 0.00 1.65 1.59 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.40 7.81 55 Y 8.05 4.57 0.00 3.02 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 56 P 0.00 2.98 0.00 2.10 1.86 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 2.03 2.15 0.00 57 Q 9.03 3.32 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.41 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 58 G 8.43 3.84 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 0.00 0.00 0.00 59 G 8.17 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 60 F 7.65 6.05 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 I 7.46 4.64 1.93 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 1.39 0.92 0.94 0.00 0.00 62 E 8.31 4.49 0.00 1.91 1.81 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 2.18 2.37 0.00 63 K 8.47 4.11 0.00 1.72 1.76 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.40 7.81 64 E 8.36 4.37 0.00 1.86 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 0.00 2.35 2.32 0.00 65 A 8.71 4.54 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 66 P 0.00 2.97 0.00 2.09 2.05 0.00 3.68 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 1.98 2.08 0.00 67 L 8.26 3.69 0.00 1.94 1.74 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.79 4.30 0.00 3.21 3.22 0.00 5.76 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 69 A 8.24 3.74 0.41 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 70 S 8.04 4.38 0.00 4.09 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 71 K 8.53 4.27 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.44 7.81 72 V 7.12 4.74 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 0.73 0.00 0.00 0.90 0.00 0.00 73 R 8.94 4.82 0.00 1.73 1.75 0.00 3.19 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 74 P 0.00 5.01 0.00 2.07 2.04 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.96 0.00 75 I 7.49 4.80 1.90 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 1.10 1.23 0.91 0.00 0.00 76 C 9.01 4.42 0.00 2.91 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 77 P 0.00 3.98 0.00 2.16 2.28 0.00 3.79 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 1.97 2.07 0.00 78 A 6.55 4.64 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 79 C 7.79 4.95 0.00 2.93 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 80 G 9.32 3.30 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 0.00 81 K 9.43 3.95 0.00 1.97 1.85 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.22 1.01 7.81 82 P 0.00 4.65 0.00 2.04 2.07 0.00 3.59 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 2.04 2.08 0.00 83 T 8.15 4.87 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 84 R 8.33 4.72 0.00 1.73 1.90 0.00 3.07 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 85 V 8.19 4.92 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 0.86 0.00 0.00 0.94 0.00 0.00 86 R 8.17 4.39 0.00 1.90 1.79 0.00 3.35 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 87 K 8.86 3.79 0.00 1.82 1.72 0.00 1.96 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.67 7.81 88 K 8.47 4.26 0.00 2.07 2.32 0.00 1.73 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.53 7.81 89 F 8.16 3.84 0.00 3.11 3.23 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 90 L 7.67 4.73 0.00 1.76 1.54 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.23 4.33 0.00 2.00 1.70 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 2.34 2.28 0.00 92 N 8.28 5.14 0.00 2.74 2.80 0.00 0.00 6.71 7.98 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 93 G 7.62 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 94 K 8.50 5.48 0.00 1.81 1.95 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.25 7.81 95 K 8.43 4.63 0.00 1.47 1.79 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.02 7.81 96 I 8.24 4.65 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 1.27 1.23 0.91 0.00 0.00 97 R 8.89 4.35 0.00 1.82 1.86 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 98 V 7.70 4.58 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 99 C 6.86 3.82 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 0.00 100 A 7.91 4.15 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 0.00 101 K 8.05 4.65 0.00 1.81 1.94 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.14 7.81 *102 C 8.24 4.36 0.00 2.74 2.73 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 * Residues marked with a * may have inaccurate shift predictions.