NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5131 8.2148 121.8687 56.5778 33.6867 175.7769 4 C 5.1598 8.7540 123.6412 54.2319 39.7103 171.3095 5 S 4.7848 9.2583 120.9567 56.3131 63.9695 174.5623 6 L 3.9615 8.5161 126.9423 56.6585 41.6222 177.5104 7 T 3.7799 7.0785 117.1632 62.9573 68.8063 174.5802 8 G 3.8261 7.8980 113.6984 43.8011 0.0000 170.9817 9 K 4.9550 7.9441 119.3130 54.8032 34.1834 176.2891 10 W 5.5120 9.2341 124.0109 55.3429 33.9089 173.9906 11 T 5.3735 9.1382 114.0568 60.9242 70.5900 172.0267 12 N 5.8011 9.1089 125.2131 49.8966 39.7946 174.9797 13 D 4.1918 8.8179 120.6655 57.0531 39.2305 178.4645 14 L 4.0099 7.9556 117.7082 56.0806 41.8517 177.3806 15 G 4.0768 8.5470 107.1947 45.2712 0.0000 173.8111 16 S 4.8768 7.9496 115.8554 57.4123 65.2472 172.8914 17 N 5.7385 8.8212 118.2765 51.8416 42.4567 173.6047 18 M 5.2127 8.7067 117.7778 53.9968 35.5738 173.9616 19 T 5.0816 8.7368 116.2031 61.9389 72.6716 172.9290 20 I 4.8664 8.9236 127.0268 59.7079 40.3925 175.6639 21 G 3.9730 8.3413 115.3033 44.9705 0.0000 172.2793 22 A 3.8802 8.7006 123.8868 52.6889 18.3781 177.8972 23 V 4.8970 8.0070 123.0238 59.8806 31.9041 176.2495 24 N 4.7513 8.4302 124.1191 51.7716 39.1177 175.5221 25 S 4.1466 8.5656 111.7488 61.7684 63.1319 175.1693 26 R 4.1000 8.0458 116.9741 56.3056 30.1485 177.0430 27 G 3.9951 8.3710 106.6802 46.5399 0.0000 173.4294 28 E 4.8442 8.5699 120.4462 55.7426 31.8166 174.9060 29 F 4.9544 8.0399 115.0240 57.2123 41.7766 172.7231 30 T 5.0474 8.0726 113.8958 62.5250 73.3586 173.9546 31 G 4.8506 8.0141 108.9512 47.1649 0.0000 172.0367 32 T 5.3340 8.0082 108.3797 59.9182 72.7500 172.1368 33 Y 4.9866 8.9227 123.7881 55.9619 42.0606 174.2432 34 I 4.8975 9.0655 128.0961 59.8273 39.2584 174.8030 35 T 4.7296 9.0605 122.2617 61.6217 67.9406 174.2925 36 A 4.4011 8.6124 130.7036 52.7101 18.5900 177.3658 37 V 4.3922 7.8878 115.1377 60.8184 34.3321 173.2745 38 A 4.2420 7.7581 122.9283 51.6440 21.6515 176.2829 39 D 4.3777 8.6260 119.1362 56.7956 41.2052 176.6268 40 N 4.8210 7.7776 115.6729 50.6453 39.7792 172.9167 41 P 4.3322 0.0000 0.0000 63.8009 31.6903 177.9164 42 G 3.7511 7.8116 106.1740 46.4970 0.0000 174.1825 43 N 4.5285 7.5728 115.8090 53.3141 39.2485 175.6521 44 I 2.0000 7.0433 119.6099 61.3772 37.4417 175.1624 45 T 4.7323 7.4465 113.4007 59.3700 71.8779 173.3284 46 L 4.5423 8.6056 122.1319 55.7543 42.3069 176.9095 47 S 5.0975 9.1466 118.6965 55.8978 66.8412 171.9415 48 P 4.9161 0.0000 0.0000 62.7168 32.8637 174.6700 49 L 5.8145 8.6015 122.8968 52.3483 45.6707 174.8123 50 L 4.8226 8.4067 126.6036 53.3789 45.4359 175.1965 51 G 4.0388 7.8551 111.4811 45.4113 0.0000 171.4656 52 I 5.2118 8.4715 119.5775 59.4578 41.3387 174.7979 53 Q 5.2409 9.2114 122.3939 54.3765 32.3457 174.1891 54 H 4.2327 8.5544 118.2339 56.4493 29.1168 176.7809 *57 K 4.4125 8.6151 121.0638 56.7055 33.9380 177.5984 58 R 3.9397 8.0974 116.7044 58.9437 30.2687 176.8789 59 A 4.1470 7.8497 119.9430 52.6266 19.0202 177.2899 60 S 4.4680 8.6142 113.1368 59.8349 64.1086 173.5099 61 Q 5.0694 7.9024 120.1139 52.5832 27.7732 173.7313 62 P 4.6727 0.0000 0.0000 62.4192 33.9263 175.6054 63 T 5.0327 8.3832 116.9961 62.5246 71.0855 173.7057 64 F 5.3451 8.3949 118.6646 55.9499 42.3260 173.1417 65 G 4.7156 9.5073 105.5478 44.9412 0.0000 171.6949 66 F 5.6734 9.0821 116.5591 55.7128 42.3524 172.9739 67 T 5.0066 9.3176 116.3758 61.8196 71.4784 173.4344 68 V 4.3429 8.8345 126.9303 61.1406 33.3503 173.8754 69 N 4.6326 8.6731 128.2274 51.7081 39.5842 174.3934 70 W 4.5071 7.8513 126.7476 56.4782 29.2846 177.1001 71 K 4.3188 9.0994 124.2648 57.2559 31.9279 177.3765 72 F 5.0290 7.5566 112.2675 56.1665 38.7267 174.3230 73 S 4.4875 7.3732 114.2834 58.4273 65.0150 173.7419 74 E 4.4900 8.6513 119.7502 56.6799 29.0650 175.9287 75 S 4.9579 8.2319 116.9179 57.8040 65.6690 173.1320 76 T 4.8269 8.6867 116.3561 62.4563 73.2549 173.4457 77 T 5.1231 8.3787 120.0900 62.0505 72.5064 173.3055 78 V 4.9466 8.7690 119.4019 59.5777 34.9743 174.7614 79 F 5.3971 9.2864 122.8043 55.9460 42.6699 174.2950 80 T 5.3479 8.7189 111.1955 57.5670 72.7326 174.3638 81 G 4.8658 7.0348 108.3602 45.5737 0.0000 172.2764 82 Q 4.9230 7.5499 122.4921 55.1709 32.5957 173.2680 83 C 5.1846 8.9537 127.3933 56.0104 41.4110 172.1732 84 F 5.1953 9.2094 124.8148 55.8343 41.9384 174.4440 85 I 5.0731 8.2016 121.4309 59.3214 39.1291 175.6452 86 D 4.5860 8.7260 126.9076 54.8330 41.3251 178.5379 87 R 4.1031 8.3840 119.8782 56.2717 28.7760 178.8974 *89 G 3.9327 7.7179 106.7275 44.7539 0.0000 173.7595 90 K 4.4106 8.8901 119.5581 55.1379 34.6439 175.6779 91 E 5.7674 8.6815 119.6718 54.9719 32.1388 175.9335 92 V 5.0113 8.3279 122.1521 61.0510 34.6353 172.8096 93 L 5.0759 8.9387 127.2077 53.9295 43.2794 175.9272 94 K 5.2340 9.2459 124.2822 55.1086 33.7645 175.6983 95 T 5.3989 9.2162 114.6089 60.4119 73.0271 172.6843 96 M 5.1617 9.3513 121.1561 53.5301 36.9921 174.3217 97 W 5.4600 8.4644 117.7760 54.7515 32.5283 173.6854 98 L 5.4009 8.6106 120.0065 52.9747 44.7097 175.4269 99 L 4.9645 9.3744 126.5694 53.5929 43.6603 175.0823 100 R 4.9489 9.3691 128.0577 55.5426 31.8812 175.2238 101 S 5.1832 8.0838 118.9483 55.2105 66.7194 174.3340 102 S 4.2320 8.6631 117.6975 58.8948 63.4151 174.4620 103 V 4.4974 7.9402 116.2334 59.5419 34.6366 176.3188 104 N 4.5008 8.5872 118.1490 54.6677 38.3977 175.1590 105 D 4.4198 8.0671 116.2468 53.8544 45.0627 176.5636 106 I 4.0955 8.2611 127.3057 64.0111 38.8072 177.1470 107 G 3.7984 8.2088 108.3605 47.5126 0.0000 173.7204 108 D 4.6351 9.3839 119.0369 53.9517 41.8725 177.4632 109 D 4.3354 7.9312 119.8508 57.4374 40.7577 178.3567 110 W 4.3909 8.2254 115.5079 59.3750 27.9894 177.4008 111 K 3.7420 6.6361 116.1860 56.6855 32.0431 178.0607 112 A 4.1248 8.0989 122.1439 52.8326 18.3716 176.6923 113 T 5.0366 7.3531 113.4871 61.5843 71.5668 173.4812 114 R 4.9193 9.0632 126.3127 54.4281 33.4298 174.6348 115 V 4.8694 7.3362 122.6083 59.2499 34.8597 174.9378 116 G 3.0418 5.7841 106.8080 46.1714 0.0000 170.0045 117 Y 4.9528 7.8114 116.8159 56.3617 40.8478 173.7713 118 N 4.8435 8.1770 118.7589 53.8774 42.4400 173.6836 119 I 5.2466 8.6260 124.3000 59.6973 40.1646 174.7262 120 F 5.7169 9.3893 125.1349 56.3458 42.4630 174.8519 121 T 5.0593 9.4084 117.4787 61.6960 72.9139 173.5503 122 R 3.5529 8.6573 123.8857 56.6194 30.5955 176.1966 123 L 4.1607 8.4293 125.4993 55.2721 41.7134 176.4324 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 3 K 8.21 4.51 0.00 1.80 1.79 0.00 1.56 0.00 0.00 2.37 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.34 7.81 4 C 8.75 5.16 0.00 2.99 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 5 S 9.26 4.78 0.00 3.88 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 6 L 8.52 3.96 0.00 0.96 0.81 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.08 3.78 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 1.23 0.00 0.00 8 G 7.90 3.83 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 0.00 0.00 0.00 9 K 7.94 4.96 0.00 1.59 1.66 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.39 7.81 10 W 9.23 5.51 0.00 3.09 3.21 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 11 T 9.14 5.37 4.36 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 1.37 0.00 0.00 12 N 9.11 5.80 0.00 2.03 1.42 0.00 0.00 6.57 7.66 0.00 0.00 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 D 8.82 4.19 0.00 2.73 2.92 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 14 L 7.96 4.01 0.00 1.65 1.80 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.55 4.08 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 0.00 16 S 7.95 4.88 0.00 4.39 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 17 N 8.82 5.74 0.00 2.58 2.64 0.00 0.00 6.84 7.18 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 18 M 8.71 5.21 0.00 1.61 1.94 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 19 T 8.74 5.08 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 1.18 0.00 0.00 20 I 8.92 4.87 1.88 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.49 0.59 0.00 0.00 21 G 8.34 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 0.00 0.00 0.00 22 A 8.70 3.88 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 23 V 8.01 4.90 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 0.48 0.00 0.00 1.14 0.00 0.00 24 N 8.43 4.75 0.00 2.98 3.05 0.00 0.00 5.95 7.64 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 25 S 8.57 4.15 0.00 4.01 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 26 R 8.05 4.10 0.00 1.95 2.00 0.00 3.22 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 27 G 8.37 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 0.00 0.00 0.00 28 E 8.57 4.84 0.00 1.97 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 2.23 2.37 0.00 29 F 8.04 4.95 0.00 3.01 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 30 T 8.07 5.05 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 1.20 0.00 0.00 31 G 8.01 4.85 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 0.00 0.00 0.00 32 T 8.01 5.33 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 1.23 0.00 0.00 33 Y 8.92 4.99 0.00 3.02 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 34 I 9.07 4.90 1.91 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 1.20 0.83 0.98 0.00 0.00 35 T 9.06 4.73 4.84 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 1.34 0.00 0.00 36 A 8.61 4.40 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 37 V 7.89 4.39 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 0.63 0.00 0.00 0.91 0.00 0.00 38 A 7.76 4.24 1.18 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 0.00 0.00 39 D 8.63 4.38 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 40 N 7.78 4.82 0.00 2.70 2.69 0.00 0.00 7.18 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 41 P 0.00 4.33 0.00 1.98 2.03 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 42 G 7.81 3.75 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 0.00 0.00 0.00 43 N 7.57 4.53 0.00 2.83 2.90 0.00 0.00 6.96 7.18 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 44 I 7.04 2.00 1.58 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.09 0.86 0.00 0.00 45 T 7.45 4.73 4.33 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 1.21 0.00 0.00 46 L 8.61 4.54 0.00 1.62 1.76 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 47 S 9.15 5.10 0.00 3.89 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 48 P 0.00 4.92 0.00 2.08 2.16 0.00 3.93 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 2.01 1.94 0.00 49 L 8.60 5.81 0.00 1.66 1.59 0.53 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.41 4.82 0.00 1.64 1.36 0.86 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 51 G 7.86 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 0.00 0.00 0.00 52 I 8.47 5.21 1.84 0.00 0.00 0.80 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 0.63 0.89 0.00 0.00 53 Q 9.21 5.24 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 54 H 8.55 4.23 0.00 3.12 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 K 8.62 4.41 0.00 1.80 1.94 0.00 1.85 0.00 0.00 0.61 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.40 7.81 58 R 8.10 3.94 0.00 1.84 2.00 0.00 3.26 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 59 A 7.85 4.15 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 60 S 8.61 4.47 0.00 4.03 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 61 Q 7.90 5.07 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.18 0.00 62 P 0.00 4.67 0.00 2.25 2.27 0.00 3.68 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 2.10 2.02 0.00 63 T 8.38 5.03 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 1.23 0.00 0.00 64 F 8.39 5.35 0.00 3.33 3.21 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 65 G 9.51 4.72 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 66 F 9.08 5.67 0.00 3.21 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 67 T 9.32 5.01 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 1.15 0.00 0.00 68 V 8.83 4.34 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 0.00 0.00 -0.07 0.00 0.00 0.90 0.00 0.00 69 N 8.67 4.63 0.00 2.58 2.59 0.00 0.00 7.32 7.96 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 70 W 7.85 4.51 0.00 3.04 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 0.00 0.00 0.00 0.00 71 K 9.10 4.32 0.00 1.94 2.01 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.54 1.48 7.81 72 F 7.56 5.03 0.00 3.14 3.13 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 0.00 0.00 0.00 73 S 7.37 4.49 0.00 3.86 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.49 0.00 1.95 1.98 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 2.23 2.30 0.00 75 S 8.23 4.96 0.00 3.70 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 76 T 8.69 4.83 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 1.19 0.00 0.00 77 T 8.38 5.12 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 0.81 0.00 0.00 78 V 8.77 4.95 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 0.81 0.00 0.00 0.92 0.00 0.00 79 F 9.29 5.40 0.00 1.71 2.68 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 0.00 0.00 0.00 0.00 80 T 8.72 5.35 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 1.18 0.00 0.00 81 G 7.03 4.87 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 0.00 0.00 0.00 82 Q 7.55 4.92 0.00 1.98 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.97 0.00 0.00 0.00 0.00 0.00 1.97 2.18 0.00 83 C 8.95 5.18 0.00 3.07 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 84 F 9.21 5.20 0.00 3.09 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 85 I 8.20 5.07 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 1.00 0.00 0.00 86 D 8.73 4.59 0.00 2.72 2.71 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 87 R 8.38 4.10 0.00 1.80 1.97 0.00 3.31 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 *89 G 7.72 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 90 K 8.89 4.41 0.00 1.99 1.97 0.00 1.29 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.53 7.81 91 E 8.68 5.77 0.00 2.19 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 2.43 2.18 0.00 92 V 8.33 5.01 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 0.97 0.00 0.00 1.13 0.00 0.00 93 L 8.94 5.08 0.00 1.88 1.93 -0.41 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 94 K 9.25 5.23 0.00 2.01 1.91 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.64 7.81 95 T 9.22 5.40 4.75 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 1.64 0.00 0.00 96 M 9.35 5.16 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 97 W 8.46 5.46 0.00 2.72 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 0.00 0.00 0.00 0.00 98 L 8.61 5.40 0.00 1.64 1.61 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.37 4.96 0.00 1.68 1.72 0.88 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 100 R 9.37 4.95 0.00 1.95 1.78 0.00 3.28 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 101 S 8.08 5.18 0.00 3.71 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.23 0.00 3.83 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 0.00 103 V 7.94 4.50 1.99 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 0.81 0.00 0.00 0.92 0.00 0.00 104 N 8.59 4.50 0.00 2.70 2.85 0.00 0.00 6.70 8.06 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 0.00 105 D 8.07 4.42 0.00 2.84 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.10 1.88 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 1.38 1.18 0.93 0.00 0.00 107 G 8.21 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.38 4.64 0.00 2.81 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.93 4.34 0.00 2.90 2.76 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 0.00 0.00 0.00 110 W 8.23 4.39 0.00 3.63 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 0.00 111 K 6.64 3.74 0.00 1.24 1.23 0.00 1.33 0.00 0.00 1.29 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.30 0.21 7.81 112 A 8.10 4.12 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 0.00 113 T 7.35 5.04 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 1.23 0.00 0.00 114 R 9.06 4.92 0.00 2.02 2.05 0.00 3.11 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 115 V 7.34 4.87 1.95 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 0.98 0.00 0.00 0.71 0.00 0.00 116 G 5.78 3.04 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 0.00 0.00 0.00 117 Y 7.81 4.95 0.00 3.24 2.86 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 0.00 118 N 8.18 4.84 0.00 3.26 2.90 0.00 0.00 6.66 7.47 0.00 0.00 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 I 8.63 5.25 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.28 1.05 0.00 0.00 120 F 9.39 5.72 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 0.00 121 T 9.41 5.06 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 1.26 0.00 0.00 122 R 8.66 3.55 0.00 1.36 1.47 0.00 3.12 0.00 0.00 2.76 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 123 L 8.43 4.16 0.00 1.71 1.45 1.02 0.94 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 * Residues marked with a * may have inaccurate shift predictions.