NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2936 8.1233 122.4661 52.0841 20.4405 175.2391 3 T 4.5395 8.2925 118.9814 61.5722 70.6089 172.1074 4 Y 4.3588 9.4536 124.7530 56.2680 41.0688 174.1125 5 Y 5.2294 8.8940 121.5695 56.6666 41.1001 174.3033 6 Y 5.6675 8.5387 119.5758 55.9316 41.8047 173.9090 7 I 4.9233 8.8977 113.6528 59.3042 41.0738 174.1154 8 L 5.4598 9.4393 125.6296 53.8564 45.8301 174.9999 9 A 4.8723 8.6234 125.8484 51.0611 23.7759 175.6037 10 S 4.4753 8.5639 113.1669 58.1040 64.0010 175.3213 11 K 3.9089 9.2036 124.5187 59.7048 31.8990 179.0802 12 K 3.8973 8.1025 119.3034 59.4840 31.8493 178.2419 13 F 4.1542 8.3305 120.7311 61.5214 39.1857 177.2170 14 L 3.9778 7.7810 116.5601 58.4123 41.4133 178.3038 15 T 4.1251 7.8879 116.3025 64.6978 68.5107 174.2020 16 E 4.4358 8.2335 122.8979 56.5532 30.7366 177.7011 17 E 4.5828 7.9497 116.9579 58.0893 36.1864 175.6922 18 E 4.5912 7.1300 116.8525 53.7865 32.1270 174.4064 19 P 4.6250 0.0000 0.0000 62.7738 31.4058 177.3242 20 L 4.2155 7.6120 117.4997 56.9569 42.1017 178.2768 21 E 4.0006 7.7298 120.8812 59.3757 29.6557 178.4577 22 E 4.0924 8.2131 118.2511 59.0885 29.4936 179.1888 23 V 3.7196 7.9510 117.9885 66.2582 31.6347 178.0371 24 F 4.0371 8.6039 117.3773 60.4962 38.8268 177.7298 25 R 4.0254 8.5800 118.1783 59.4435 29.8999 178.6769 26 E 3.9545 8.7717 119.0359 59.3925 29.6423 178.8490 27 R 3.8048 8.1882 118.9256 59.4105 30.0353 178.4514 28 Q 4.0844 8.5788 118.3000 59.0384 28.8605 178.9551 29 R 3.9498 8.1581 119.0118 59.6482 30.0360 178.5280 30 H 4.3382 8.5341 118.0464 59.5167 29.7300 176.9132 31 Y 3.8865 8.5611 118.8601 61.0963 37.6685 178.7694 32 R 4.0107 8.1371 116.8654 59.2041 29.2813 178.5424 33 E 4.0405 8.0109 117.9776 58.3010 29.6076 177.9654 34 Q 4.3859 7.4750 116.0079 54.6577 29.2302 175.9909 35 G 3.8904 7.3517 107.9808 46.2234 0.0000 173.6884 36 K 4.3522 7.9646 118.8067 54.2903 33.3274 176.3471 37 E 4.1725 8.5939 124.0351 55.5344 30.2043 176.5167 38 I 3.4103 8.4944 127.4127 61.9662 37.7091 175.3966 39 D 4.3216 8.1155 124.2694 52.2124 39.9586 174.5463 40 F 4.8220 5.7117 112.9581 55.4741 40.7116 173.7569 41 W 5.5364 9.9331 121.1208 55.1291 34.0127 173.5415 42 L 4.8442 8.9779 124.7539 54.4258 42.8508 176.3720 43 V 4.4936 9.3782 126.3096 60.2295 33.3756 172.3988 44 P 4.5161 0.0000 0.0000 62.6075 32.1197 176.1783 45 E 3.7040 9.0360 120.7288 56.3542 27.3555 173.6814 46 P 4.3383 0.0000 0.0000 63.0600 32.2500 177.9396 47 A 3.9324 8.7216 124.6754 54.7684 18.1745 179.6820 48 F 3.8723 7.8666 112.9898 59.9605 37.3343 177.0708 49 L 3.5414 5.9429 117.9456 56.8131 41.8118 177.7089 50 E 4.2620 7.8578 116.8613 56.4999 30.4062 176.5224 51 Q 4.3182 7.7042 119.4885 54.7314 29.9339 175.1855 52 P 4.2715 0.0000 0.0000 66.0672 31.4776 178.6872 53 Q 3.9771 7.9908 114.9865 57.7918 28.8290 177.2970 54 F 5.7149 8.4573 117.5197 56.5242 39.5768 177.0000 55 A 4.0677 7.8723 123.9052 55.5406 17.9124 180.5415 56 E 3.9859 8.1499 116.4794 59.6517 29.6711 179.4276 57 Q 4.1149 8.1754 117.7127 58.7917 28.6932 178.3193 58 K 3.8781 8.3694 119.9452 59.6241 32.2853 178.4404 59 A 4.1404 7.8586 119.6643 54.6447 18.3894 179.0497 60 R 4.2507 7.5635 114.8363 56.0759 30.7622 175.9018 61 C 4.6054 7.3203 119.6108 56.6679 32.7961 171.6890 62 P 4.4616 0.0000 0.0000 62.6640 31.6794 175.4981 63 Q 4.7972 8.1679 119.4285 53.2052 31.3915 173.9487 64 P 4.4867 0.0000 0.0000 62.9467 33.0086 175.6288 65 A 5.0305 8.4466 123.6206 51.0663 21.9847 175.3029 66 A 5.0794 9.0279 119.3466 50.7698 23.0885 175.4746 67 A 5.3482 9.2909 121.7418 50.2591 23.5224 175.0554 68 I 5.1598 8.7026 119.8827 59.7833 40.0044 174.9968 69 I 5.4469 9.4245 128.0385 60.0352 40.8370 174.6261 70 S 5.2769 9.3260 118.4914 57.7706 65.9699 174.9024 71 T 4.4003 8.6214 114.5672 62.3600 69.4135 174.2581 72 N 4.6980 8.3955 122.8137 52.2111 38.6986 174.8177 73 Q 3.1993 8.4161 127.7959 58.9938 28.9054 177.8884 74 Q 3.9271 7.9855 118.5307 58.8579 28.7728 178.4783 75 F 4.3418 8.8149 121.7768 61.5181 39.4663 177.2880 76 I 3.5470 7.5890 119.0657 64.3790 36.8132 178.3886 77 Q 3.9391 8.2715 119.1605 58.6760 28.5631 178.6967 78 W 4.1979 8.3951 129.4203 60.4909 30.6364 177.9544 79 L 3.3075 7.6027 118.7461 57.3810 40.9293 179.3749 80 K 3.7934 7.9212 119.4307 59.4198 31.9025 178.7293 81 L 3.8662 7.7028 118.0043 58.0371 41.6666 179.5618 82 R 3.8902 7.4346 116.4087 58.8495 29.9959 178.5645 83 L 4.0220 7.8115 117.9199 54.8250 41.9318 177.0169 84 E 3.8068 8.0805 123.0625 57.6346 29.8224 175.5297 85 Y 4.6103 6.7799 114.5121 57.7069 37.4671 175.2070 86 V 4.5516 7.1602 110.8904 59.8733 36.5182 175.5649 87 L 4.4500 8.7658 122.0683 53.8078 44.7993 175.0342 *89 G 3.7157 8.2112 105.6273 47.0472 0.0000 171.4774 90 Q 5.2896 8.4867 116.0888 55.4547 31.7979 173.3820 91 F 5.1873 8.4904 113.6381 56.5981 41.7703 172.9642 92 T 5.1037 8.9700 109.9679 60.0111 71.0149 175.8209 93 S 4.3607 8.9146 119.0527 61.7656 63.0042 176.5415 94 E 4.0845 7.7711 116.0461 57.6536 29.7946 177.1635 95 E 4.3054 8.1407 118.4706 57.0506 30.4656 176.0208 96 V 4.1580 7.2464 116.5009 60.1589 32.6285 173.0433 97 P 4.3463 0.0000 0.0000 65.4317 31.6008 177.5784 98 N 4.8349 7.5810 117.6157 49.8382 38.3815 173.0696 99 P 4.0391 0.0000 0.0000 65.3468 31.6793 177.4075 100 L 4.4163 7.4526 113.5312 54.2065 41.9473 176.3197 101 A 4.0699 7.8203 122.5711 52.4245 19.2347 177.0299 102 S 4.8102 8.5895 116.2098 56.1567 65.0044 173.4196 103 L 4.7039 8.5341 125.5428 54.4539 42.1335 176.8097 104 A 4.3357 7.6237 121.5347 52.1441 18.6812 178.6891 105 S 4.7337 8.4940 115.2271 58.1696 64.3969 174.7881 106 V 4.4336 7.2643 119.0007 60.0196 33.9217 174.7362 107 L 4.3687 8.1954 122.8735 53.2947 43.0959 176.5179 108 E 4.0895 8.5702 119.1772 56.8623 29.5099 176.2655 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 8.12 4.29 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 3 T 8.29 4.54 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 0.62 0.00 0.00 4 Y 9.45 4.36 0.00 1.47 2.36 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 5 Y 8.89 5.23 0.00 3.03 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 6 Y 8.54 5.67 0.00 3.20 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 7 I 8.90 4.92 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.88 0.89 0.00 0.00 8 L 9.44 5.46 0.00 2.16 1.82 0.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.62 4.87 1.39 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 0.00 0.00 10 S 8.56 4.48 0.00 4.06 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 11 K 9.20 3.91 0.00 2.02 1.92 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.46 7.81 12 K 8.10 3.90 0.00 1.89 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.53 7.81 13 F 8.33 4.15 0.00 3.12 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 14 L 7.78 3.98 0.00 1.74 1.73 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.89 4.13 4.34 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 1.19 0.00 0.00 16 E 8.23 4.44 0.00 2.05 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 0.00 2.30 2.57 0.00 17 E 7.95 4.58 0.00 1.48 1.48 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 2.12 2.21 0.00 18 E 7.13 4.59 0.00 1.72 1.69 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 1.80 2.07 0.00 19 P 0.00 4.63 0.00 2.22 2.22 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 20 L 7.61 4.22 0.00 1.72 1.88 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.73 4.00 0.00 2.04 1.97 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 2.35 2.35 0.00 22 E 8.21 4.09 0.00 2.08 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 0.00 2.44 2.35 0.00 23 V 7.95 3.72 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 1.51 0.00 0.00 1.11 0.00 0.00 24 F 8.60 4.04 0.00 3.26 3.27 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 0.00 25 R 8.58 4.03 0.00 2.13 2.06 0.00 3.29 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 26 E 8.77 3.95 0.00 2.06 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 0.00 2.31 2.34 0.00 27 R 8.19 3.80 0.00 1.63 1.24 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.20 0.00 28 Q 8.58 4.08 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.77 0.00 29 R 8.16 3.95 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 30 H 8.53 4.34 0.00 3.47 3.60 0.00 5.78 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 31 Y 8.56 3.89 0.00 3.29 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 32 R 8.14 4.01 0.00 2.09 2.24 0.00 2.82 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 33 E 8.01 4.04 0.00 2.11 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 2.35 2.60 0.00 34 Q 7.47 4.39 0.00 1.84 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.13 0.00 35 G 7.35 3.89 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 0.00 0.00 0.00 36 K 7.96 4.35 0.00 1.27 1.43 0.00 1.46 0.00 0.00 1.39 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.05 7.81 37 E 8.59 4.17 0.00 1.98 1.93 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 2.40 2.41 0.00 38 I 8.49 3.41 1.66 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 1.04 0.56 -0.42 0.00 0.00 39 D 8.12 4.32 0.00 2.74 2.81 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 40 F 5.71 4.82 0.00 2.72 2.38 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 41 W 9.93 5.54 0.00 3.44 3.05 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 42 L 8.98 4.84 0.00 1.47 1.60 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.38 4.49 2.24 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 1.10 0.00 0.00 1.11 0.00 0.00 44 P 0.00 4.52 0.00 2.10 2.03 0.00 3.99 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 45 E 9.04 3.70 0.00 2.03 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 2.20 2.19 0.00 46 P 0.00 4.34 0.00 1.30 2.08 0.00 3.53 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 47 A 8.72 3.93 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 48 F 7.87 3.87 0.00 2.32 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 49 L 5.94 3.54 0.00 0.70 1.39 0.79 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.86 4.26 0.00 1.96 1.93 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 2.26 2.39 0.00 51 Q 7.70 4.32 0.00 2.60 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 52 P 0.00 4.27 0.00 2.16 2.12 0.00 3.62 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 2.12 2.14 0.00 53 Q 7.99 3.98 0.00 1.16 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.32 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 54 F 8.46 5.71 0.00 3.19 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 55 A 7.87 4.07 1.35 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 0.00 0.00 56 E 8.15 3.99 0.00 2.08 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 0.00 2.42 2.42 0.00 57 Q 8.18 4.11 0.00 2.53 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.89 2.71 0.00 58 K 8.37 3.88 0.00 1.95 2.05 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 59 A 7.86 4.14 1.39 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 0.00 0.00 60 R 7.56 4.25 0.00 1.80 2.01 0.00 3.19 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 61 C 7.32 4.61 0.00 3.07 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 62 P 0.00 4.46 0.00 2.08 1.96 0.00 3.67 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 1.99 2.08 0.00 63 Q 8.17 4.80 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 64 P 0.00 4.49 0.00 2.09 2.15 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 65 A 8.45 5.03 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 66 A 9.03 5.08 1.23 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 67 A 9.29 5.35 1.48 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 0.00 0.00 68 I 8.70 5.16 2.08 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 1.54 0.88 1.31 0.00 0.00 69 I 9.42 5.45 2.37 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 1.34 0.00 0.00 70 S 9.33 5.28 0.00 4.18 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 71 T 8.62 4.40 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 0.99 0.00 0.00 72 N 8.40 4.70 0.00 2.79 2.84 0.00 0.00 6.75 6.16 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 73 Q 8.42 3.20 0.00 0.93 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 2.12 1.45 0.00 74 Q 7.99 3.93 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 75 F 8.81 4.34 0.00 2.95 3.24 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 76 I 7.59 3.55 2.01 0.00 0.00 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 1.90 1.11 0.92 0.00 0.00 77 Q 8.27 3.94 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 78 W 8.40 4.20 0.00 3.38 3.41 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 79 L 7.60 3.31 0.00 1.67 1.46 0.34 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.92 3.79 0.00 1.80 1.89 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.46 7.81 81 L 7.70 3.87 0.00 1.71 1.65 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.43 3.89 0.00 1.24 1.66 0.00 3.22 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.97 0.00 83 L 7.81 4.02 0.00 1.58 1.75 0.85 1.12 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 84 E 8.08 3.81 0.00 1.68 1.12 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 1.72 2.01 0.00 85 Y 6.78 4.61 0.00 2.95 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 86 V 7.16 4.55 2.29 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 0.94 0.00 0.00 0.94 0.00 0.00 87 L 8.77 4.45 0.00 1.74 1.77 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 *89 G 8.21 3.72 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 0.00 0.00 0.00 90 Q 8.49 5.29 0.00 1.78 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 91 F 8.49 5.19 0.00 3.25 3.45 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 92 T 8.97 5.10 4.52 0.00 0.00 0.00 0.00 0.00 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 93 S 8.91 4.36 0.00 4.08 4.10 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 94 E 7.77 4.08 0.00 1.94 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 0.00 2.37 2.47 0.00 95 E 8.14 4.31 0.00 2.28 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 0.00 2.32 2.30 0.00 96 V 7.25 4.16 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 0.43 0.00 0.00 0.48 0.00 0.00 97 P 0.00 4.35 0.00 2.04 2.12 0.00 3.64 0.00 0.00 3.64 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 98 N 7.58 4.83 0.00 2.72 2.64 0.00 0.00 6.93 8.03 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 99 P 0.00 4.04 0.00 1.29 1.35 0.00 3.49 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.24 0.00 100 L 7.45 4.42 0.00 1.36 1.49 -0.42 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.82 4.07 1.26 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 0.00 0.00 102 S 8.59 4.81 0.00 3.84 3.69 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 0.00 103 L 8.53 4.70 0.00 1.46 1.59 0.84 0.59 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 0.00 104 A 7.62 4.34 1.23 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 0.00 105 S 8.49 4.73 0.00 3.82 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 0.00 106 V 7.26 4.43 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 0.70 0.00 0.00 0.92 0.00 0.00 107 L 8.20 4.37 0.00 1.65 1.66 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 108 E 8.57 4.09 0.00 1.92 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 2.29 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.