NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0578 8.2133 108.0168 46.1170 0.0000 173.1236 2 C 5.0965 8.4228 115.6634 53.4879 40.7165 171.7209 3 P 4.4484 0.0000 0.0000 62.1782 32.4817 175.6943 4 D 4.6248 8.4448 120.1230 56.1977 41.1177 177.6118 5 G 4.0806 9.0254 110.8153 45.2636 0.0000 173.6311 6 W 4.6991 8.0692 118.9594 56.4901 30.7259 176.0348 7 T 4.6001 9.2497 119.6463 62.2822 69.6561 174.1782 8 Q 4.6810 8.7554 128.3698 55.7858 30.9986 174.8466 9 F 4.8196 8.9616 127.6093 57.2890 42.5396 174.7057 10 L 3.5187 7.5074 130.3538 56.4801 40.5545 175.0116 11 D 4.7102 8.4174 127.0092 55.1120 40.7107 174.9662 12 L 5.0997 8.0063 119.6376 53.0290 45.5117 174.7310 13 C 5.4657 8.9775 118.4139 55.4958 39.1864 172.8854 14 Y 5.8850 9.4243 120.8539 56.5896 41.5337 174.5468 15 I 4.5896 8.4603 121.0669 59.5930 41.8672 172.9267 16 Y 4.5995 8.4578 130.0041 56.6743 40.1071 174.2132 17 Q 4.2403 7.7727 126.0952 53.8389 30.5679 176.9692 18 S 3.9641 8.5801 119.0716 60.4006 63.6236 174.7039 19 A 4.1447 7.7220 123.1199 52.1989 19.2101 176.7336 20 K 4.6781 8.6888 121.0245 56.1253 33.3124 176.2504 21 A 4.9708 9.2553 125.0591 50.4986 23.2051 176.0892 22 S 5.0324 8.6750 113.6565 57.1526 64.1720 175.2063 23 W 2.8073 8.4185 130.5455 60.3380 30.0970 178.0731 24 A 3.8584 7.8488 120.0150 55.0059 17.8889 179.4189 25 S 3.8757 7.9479 111.4935 61.3382 62.4115 176.0873 26 A 2.8695 7.7904 123.8122 54.8812 17.9073 179.2951 27 Q 3.4907 7.5200 118.1048 59.2710 28.8804 178.7117 28 S 4.2741 7.8047 117.3933 60.9418 62.7557 176.6635 29 S 4.0499 7.9332 115.5913 61.7878 62.1666 175.4450 30 C 4.3336 8.4061 119.4906 60.3904 39.2330 176.3696 31 Q 4.5797 8.5387 120.8049 58.3582 28.0414 178.4446 32 A 4.1404 8.0666 121.4298 55.0464 18.4744 178.9703 33 L 4.4570 7.9268 114.2164 55.0831 41.5322 177.8735 34 G 4.0013 8.7641 106.9883 45.5258 0.0000 174.1279 35 G 4.1559 8.3392 109.5596 44.8877 0.0000 172.1169 36 I 5.1631 8.9676 116.2320 58.9194 41.7309 175.0625 37 L 4.5656 9.0654 123.3520 54.9592 42.2397 177.4505 38 A 4.3005 9.1454 125.2434 52.5938 19.5784 176.7402 39 E 4.1535 9.1337 121.5398 53.2353 29.5443 173.4959 40 P 4.5907 0.0000 0.0000 62.7158 29.8867 176.4153 41 D 5.0672 9.0352 123.8055 54.8025 42.0863 176.5031 42 T 4.2786 7.1299 107.6226 59.4086 73.2903 174.2912 43 A 3.7117 7.6093 124.7942 54.9979 18.4404 179.9785 44 C 4.0069 7.8711 114.6436 62.7683 28.2627 175.9431 45 E 3.6771 8.1184 120.2431 59.3826 29.0075 178.8833 46 N 4.4704 8.0741 116.9525 56.8022 39.0432 176.6434 47 E 3.8793 8.2234 119.9754 59.3294 29.5312 179.5181 48 V 3.4467 7.4252 118.1098 66.0451 31.5164 178.1499 49 L 3.8176 7.7657 118.6274 57.7187 41.4306 179.5662 50 I 3.2221 7.9041 120.1938 64.3860 36.8935 177.9476 51 H 4.0273 8.1670 119.1158 59.4271 29.4977 177.2052 52 M 4.1118 8.1034 120.5302 58.5024 31.6780 178.3909 53 C 3.8361 8.0472 116.9332 62.7562 28.4192 176.3485 54 K 3.8029 7.8387 119.7879 59.5533 31.3999 179.1294 55 E 3.9202 7.9322 117.7031 58.6305 29.3039 178.2898 56 N 4.6948 7.0110 113.7561 51.9187 39.0884 174.7344 57 G 3.8269 7.7308 107.1546 46.8812 0.0000 173.8840 58 D 4.7216 8.1806 115.2749 53.3814 41.7258 175.9041 59 A 4.6290 7.8939 119.1127 51.7893 20.7205 177.1056 60 G 3.4764 7.1240 108.0098 45.0300 0.0000 173.8931 61 S 3.3555 6.5428 117.6024 58.5830 63.8348 173.6616 62 F 3.5394 7.9980 118.2758 58.6036 36.4924 175.4865 63 G 4.1713 7.4690 107.2768 44.8033 0.0000 172.3594 64 P 4.8272 0.0000 0.0000 61.9486 32.8959 176.1290 65 W 5.2986 9.0047 121.5972 57.6331 30.0391 175.1627 66 L 5.1101 9.4143 122.2717 52.4555 45.6699 176.8358 67 G 4.2434 9.5259 107.7505 46.1989 0.0000 173.7333 68 G 4.5827 8.1401 107.0572 45.1820 0.0000 173.2581 69 Q 4.7561 9.0183 121.2887 54.1357 33.2570 173.3462 70 K 3.7771 7.8683 126.0826 54.6412 33.0816 176.0736 71 V 4.0158 8.0746 127.9091 61.7068 33.6076 175.5580 72 G 3.6897 9.4257 116.7534 46.7559 0.0000 174.5027 73 G 3.7647 8.3336 106.5942 44.7923 0.0000 173.8451 74 A 4.7361 7.3302 121.2067 49.5774 22.4412 175.6146 75 W 4.4939 8.4763 120.6092 56.3120 30.6665 175.4772 76 Q 4.5597 8.6784 120.9678 54.3314 32.2763 173.6156 77 W 4.9952 9.1391 121.4000 56.5804 29.7951 177.3098 78 S 4.2898 9.6585 121.1890 61.5874 62.1118 175.7011 79 S 4.3854 8.9510 114.1177 60.5242 62.7392 175.0357 80 S 4.5674 8.1945 112.8552 56.9164 64.5336 175.0150 81 G 3.9141 8.6700 108.0998 45.6457 0.0000 173.4696 82 A 4.2358 8.2969 123.4375 51.2558 19.0727 177.9935 83 A 4.6323 8.3368 124.0548 51.3040 19.1927 177.6244 84 F 4.8103 8.3811 118.3317 58.0327 38.9855 173.3438 85 D 4.9650 8.2393 118.3005 55.9072 43.7602 175.8501 86 Y 4.2775 7.9877 118.6172 57.8550 39.8026 175.4699 87 L 3.7794 7.2461 125.3153 52.7852 45.7011 176.2207 88 R 3.8728 5.8400 120.7287 54.6241 30.3598 174.8860 89 W 4.9543 7.6282 116.0419 56.4441 29.9591 175.4409 90 G 3.5268 9.0362 113.2283 47.8569 0.0000 174.2331 *92 N 4.6396 8.3550 118.8780 51.9913 41.2309 174.3364 93 E 4.5141 7.9514 118.2367 53.7247 31.3628 173.8634 94 P 4.2278 0.0000 0.0000 61.7226 31.7205 175.9147 95 N 4.4831 8.7842 119.6955 51.8544 38.4554 174.1181 96 N 4.1114 8.7624 118.3602 54.5929 37.9334 174.1804 97 S 4.2835 8.3032 111.5003 60.0261 62.9010 173.7768 98 G 3.8863 8.7813 117.1530 44.7817 0.0000 173.8740 99 G 4.0243 8.4699 107.9068 45.4916 0.0000 173.4926 100 N 4.9511 7.7215 116.2265 52.4671 37.9332 174.0278 101 E 4.6663 8.5788 120.5812 56.5979 28.5568 175.4358 102 D 4.7236 8.4698 121.1154 53.7567 42.9257 176.0510 103 C 5.2212 8.6426 116.2682 54.9775 45.7495 172.5522 104 L 5.4654 8.8224 123.8143 54.3294 43.8855 175.0676 105 H 5.4583 9.0342 120.1753 54.6697 33.1972 171.3558 106 Y 5.0339 8.5855 116.3947 57.3104 39.3961 174.6335 107 N 4.5917 9.0886 122.8843 51.4758 41.9193 174.2446 108 W 3.5273 8.8798 127.7110 56.9415 27.2717 175.0788 109 L 3.5676 8.3288 112.7565 55.4470 38.9022 174.6617 110 S 5.0166 8.0258 114.0685 56.0579 66.6736 173.5544 111 W 4.8724 8.6255 122.5254 57.3556 30.0421 174.9380 112 N 5.6455 9.2209 121.0729 52.2043 42.6588 172.6231 113 D 5.6452 8.8428 123.8144 52.7454 41.6245 174.9137 114 L 5.2344 9.4364 123.7602 52.8902 46.5096 175.3670 115 R 4.6876 8.7764 120.4723 56.2796 29.9952 178.4137 116 C 4.2675 9.2279 119.2068 59.5316 40.5211 174.6374 117 H 5.0266 8.1838 114.8320 55.4012 28.7828 173.8182 118 Y 4.0631 8.3091 122.1602 58.2965 39.9297 175.5088 119 Q 5.0095 7.8085 124.5843 54.8078 29.4658 174.4625 120 A 4.9319 8.9693 125.6403 49.7327 23.2151 175.5086 121 S 5.2412 8.6496 115.0711 58.3784 65.1248 172.6653 122 Y 5.3148 7.9408 116.6858 56.4527 41.5115 173.5800 123 L 5.1789 8.6806 120.3256 53.3181 44.8100 175.1365 124 C 5.7434 9.1253 120.8405 55.3090 44.3484 172.8421 125 Q 5.7840 9.4021 118.8651 54.9144 31.9797 174.1585 126 R 5.0284 9.1506 116.5284 54.4140 33.5633 173.9365 127 A 4.5270 8.4415 121.7997 51.6026 19.0077 177.5186 128 A 4.0742 8.7369 126.6855 52.6701 19.4261 178.3848 129 E 4.1510 8.6236 115.8356 55.9482 30.0856 176.2532 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 1 G 8.21 4.06 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 0.00 2 C 8.42 5.10 0.00 3.02 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 3 P 0.00 4.45 0.00 1.94 1.81 0.00 2.84 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.64 0.00 4 D 8.44 4.62 0.00 2.74 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 5 G 9.03 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 6 W 8.07 4.70 0.00 3.27 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 7 T 9.25 4.60 4.48 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 1.40 0.00 0.00 8 Q 8.76 4.68 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 9 F 8.96 4.82 0.00 3.20 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 10 L 7.51 3.52 0.00 1.29 0.56 0.54 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.42 4.71 0.00 2.60 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 12 L 8.01 5.10 0.00 1.32 1.00 1.01 0.65 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 13 C 8.98 5.47 0.00 2.80 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 14 Y 9.42 5.88 0.00 2.96 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 15 I 8.46 4.59 0.56 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.20 -0.43 0.00 0.00 16 Y 8.46 4.60 0.00 2.92 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 17 Q 7.77 4.24 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 1.72 1.94 0.00 18 S 8.58 3.96 0.00 4.07 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 19 A 7.72 4.14 1.32 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 0.00 0.00 0.00 20 K 8.69 4.68 0.00 1.69 1.79 0.00 2.02 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.40 7.81 21 A 9.26 4.97 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 22 S 8.67 5.03 0.00 4.05 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 23 W 8.42 2.81 0.00 1.78 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 0.00 0.00 0.00 0.00 24 A 7.85 3.86 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 25 S 7.95 3.88 0.00 3.86 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 26 A 7.79 2.87 0.72 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 27 Q 7.52 3.49 0.00 1.18 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 28 S 7.80 4.27 0.00 3.95 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 29 S 7.93 4.05 0.00 3.85 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 30 C 8.41 4.33 0.00 3.10 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 31 Q 8.54 4.58 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.30 0.00 32 A 8.07 4.14 1.40 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 33 L 7.93 4.46 0.00 2.05 2.14 1.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.76 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 35 G 8.34 4.16 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 0.00 36 I 8.97 5.16 1.89 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 1.28 1.22 0.93 0.00 0.00 37 L 9.07 4.57 0.00 1.37 1.74 -0.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.15 4.30 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 39 E 9.13 4.15 0.00 1.43 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 2.31 2.37 0.00 40 P 0.00 4.59 0.00 2.50 2.21 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.04 0.00 41 D 9.04 5.07 0.00 2.30 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 42 T 7.13 4.28 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 1.19 0.00 0.00 43 A 7.61 3.71 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 44 C 7.87 4.01 0.00 3.09 2.99 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 45 E 8.12 3.68 0.00 2.19 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 2.67 2.53 0.00 46 N 8.07 4.47 0.00 3.12 3.06 0.00 0.00 7.27 7.77 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 47 E 8.22 3.88 0.00 2.08 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 2.29 2.47 0.00 48 V 7.43 3.45 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 1.11 0.00 0.00 0.28 0.00 0.00 49 L 7.77 3.82 0.00 1.91 1.78 0.83 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.90 3.22 1.79 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.60 0.77 0.00 0.00 51 H 8.17 4.03 0.00 3.23 3.37 0.00 5.59 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 52 M 8.10 4.11 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 53 C 8.05 3.84 0.00 2.91 2.98 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 54 K 7.84 3.80 0.00 1.76 1.72 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.57 7.81 55 E 7.93 3.92 0.00 1.96 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 2.23 2.35 0.00 56 N 7.01 4.69 0.00 1.58 1.87 0.00 0.00 7.01 7.52 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 57 G 7.73 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 58 D 8.18 4.72 0.00 2.48 2.45 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 59 A 7.89 4.63 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 60 G 7.12 3.48 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 0.00 61 S 6.54 3.36 0.00 3.10 3.36 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 62 F 8.00 3.54 0.00 3.12 2.98 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 63 G 7.47 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 64 P 0.00 4.83 0.00 2.30 2.32 0.00 3.87 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 65 W 9.00 5.30 0.00 3.38 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 66 L 9.41 5.11 0.00 1.50 1.65 -0.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.53 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 0.00 0.00 0.00 0.00 68 G 8.14 4.58 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 0.00 0.00 0.00 69 Q 9.02 4.76 0.00 1.43 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 70 K 7.87 3.78 0.00 0.79 0.85 0.00 1.52 0.00 0.00 1.33 0.00 0.00 2.49 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.80 0.33 7.81 71 V 8.07 4.02 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 0.82 0.00 0.00 0.74 0.00 0.00 72 G 9.43 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 0.00 0.00 0.00 73 G 8.33 3.76 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 0.00 0.00 0.00 74 A 7.33 4.74 1.13 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 0.00 0.00 75 W 8.48 4.49 0.00 2.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.56 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 77 W 9.14 5.00 0.00 3.49 3.56 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 78 S 9.66 4.29 0.00 4.39 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 79 S 8.95 4.39 0.00 4.06 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 80 S 8.19 4.57 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 81 G 8.67 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 82 A 8.30 4.24 1.50 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 0.00 0.00 83 A 8.34 4.63 1.30 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 84 F 8.38 4.81 0.00 3.06 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 85 D 8.24 4.96 0.00 2.86 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 86 Y 7.99 4.28 0.00 3.09 3.07 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 87 L 7.25 3.78 0.00 1.23 1.00 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 88 R 5.84 3.87 0.00 0.67 0.66 0.00 2.92 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.29 0.00 89 W 7.63 4.95 0.00 3.21 3.06 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 90 G 9.04 3.53 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 0.00 0.00 0.00 *92 N 8.35 4.64 0.00 2.73 2.89 0.00 0.00 6.79 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 93 E 7.95 4.51 0.00 2.15 1.78 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 2.40 2.49 0.00 94 P 0.00 4.23 0.00 1.93 0.49 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.00 95 N 8.78 4.48 0.00 2.83 3.13 0.00 0.00 7.13 8.42 0.00 0.00 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 N 8.76 4.11 0.00 2.91 2.82 0.00 0.00 6.75 7.19 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 97 S 8.30 4.28 0.00 3.90 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 98 G 8.78 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 99 G 8.47 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.72 4.95 0.00 2.83 2.97 0.00 0.00 6.18 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 0.00 101 E 8.58 4.67 0.00 2.23 2.23 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 2.40 2.48 0.00 102 D 8.47 4.72 0.00 2.35 2.26 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 0.00 103 C 8.64 5.22 0.00 2.93 2.47 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 0.00 0.00 0.00 0.00 104 L 8.82 5.47 0.00 1.98 1.75 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.03 5.46 0.00 3.25 3.32 0.00 5.32 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.59 5.03 0.00 2.93 2.79 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 0.00 107 N 9.09 4.59 0.00 2.56 2.65 0.00 0.00 6.90 7.49 0.00 0.00 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 W 8.88 3.53 0.00 3.38 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 0.00 109 L 8.33 3.57 0.00 1.81 1.67 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.03 5.02 0.00 3.98 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 0.00 111 W 8.63 4.87 0.00 3.11 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 9.22 5.65 0.00 2.91 2.61 0.00 0.00 6.88 7.95 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 0.00 113 D 8.84 5.65 0.00 3.36 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 0.00 114 L 9.44 5.23 0.00 1.73 1.68 0.88 0.09 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 0.00 115 R 8.78 4.69 0.00 2.06 2.19 0.00 3.31 0.00 0.00 3.43 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 116 C 9.23 4.27 0.00 2.93 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 0.00 117 H 8.18 5.03 0.00 3.17 3.38 0.00 5.91 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.31 4.06 0.00 3.42 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 0.00 119 Q 7.81 5.01 0.00 1.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.57 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 120 A 8.97 4.93 0.68 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 0.00 0.00 121 S 8.65 5.24 0.00 3.96 3.64 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 0.00 122 Y 7.94 5.31 0.00 3.11 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 0.00 123 L 8.68 5.18 0.00 1.64 1.62 1.14 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 124 C 9.13 5.74 0.00 2.86 3.17 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 0.00 125 Q 9.40 5.78 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 126 R 9.15 5.03 0.00 1.70 1.97 0.00 2.39 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.18 0.00 127 A 8.44 4.53 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 0.00 128 A 8.74 4.07 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 0.00 129 E 8.62 4.15 0.00 1.97 1.71 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 2.17 2.10 0.00 * Residues marked with a * may have inaccurate shift predictions.