NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7400 8.3027 120.3361 55.5259 31.4489 173.5023 2 L 4.1112 8.6149 128.0103 57.9952 41.6080 174.6091 3 V 3.7408 9.0245 119.0257 65.9990 31.8588 177.3110 4 Q 4.1060 7.9497 117.4269 58.3655 28.6343 177.8052 5 F 4.5016 8.4100 122.0030 61.3171 39.3891 176.5555 6 N 4.3393 8.3859 116.7003 56.8208 38.5552 177.1061 7 G 3.8821 7.5468 106.8905 47.5209 0.0000 175.3212 8 M 4.3650 8.4753 121.4561 58.3710 32.0169 178.9309 9 I 3.6537 7.9675 120.1343 64.3908 36.9940 178.6105 10 R 4.1820 8.1378 118.9541 59.2627 29.5256 178.3828 11 C 4.3600 8.0552 118.1231 59.9894 43.5933 175.6045 12 T 3.9683 7.8357 108.7743 62.8125 70.3575 174.6739 13 I 4.6097 8.1273 122.6592 57.9668 37.5962 173.5190 14 P 4.4451 0.0000 0.0000 64.6852 31.6466 177.9402 15 G 3.8177 7.9782 103.8759 46.1113 0.0000 173.7812 16 S 4.5651 7.8152 114.8242 58.0134 64.2642 174.5195 17 I 4.4850 8.2394 122.4438 57.7919 37.2128 174.1934 18 P 4.4264 0.0000 0.0000 65.6819 31.2232 179.4198 19 W 4.4057 8.5042 116.2343 57.3673 27.9575 175.9296 20 W 4.4369 7.1625 126.9395 59.0119 31.7632 177.0742 21 D 3.8952 8.1390 116.9204 56.7448 40.1151 177.2526 22 Y 4.7595 7.7281 114.9300 57.6942 38.6798 176.6834 23 S 4.6269 7.7077 116.0281 59.6136 64.2994 173.3007 24 D 4.7351 7.4716 120.0600 52.5888 41.1513 172.2368 25 Y 4.5854 8.5727 122.8775 56.0423 42.9382 176.1501 26 G 3.9952 7.8152 114.5582 47.0166 0.0000 172.9178 27 C 4.4135 9.1065 113.7450 58.0631 41.3193 174.8671 28 Y 4.1485 8.6490 116.2023 58.9999 39.2668 175.1020 29 C 4.4017 8.1948 117.6718 60.5134 39.7644 172.3828 30 G 4.3730 9.3076 109.8027 43.8444 0.0000 172.1622 31 S 3.9869 8.6617 112.9943 59.7375 63.0090 176.0956 32 G 3.7856 8.9989 114.8525 45.8107 0.0000 170.6365 33 G 3.8237 7.8993 105.4622 44.3813 0.0000 172.9503 34 S 4.2921 7.4884 118.3370 58.1698 65.8822 174.4224 35 G 3.8198 8.4652 107.6205 45.7690 0.0000 172.4317 36 T 4.7030 8.1823 115.9706 60.9809 70.4704 172.8996 37 P 5.3823 0.0000 0.0000 62.9396 31.8443 176.8727 38 V 4.0661 8.3822 113.2896 60.8970 32.4617 175.1510 39 D 4.3821 7.3505 119.1224 51.8394 41.3719 176.8121 40 E 3.8993 8.3454 118.8730 59.4119 29.3698 178.0367 41 L 3.7572 7.9430 119.7302 58.3467 42.0495 178.2078 42 D 4.4749 8.6915 117.8134 57.6687 41.1093 178.5152 43 R 3.9049 7.8964 117.9803 59.2615 29.9004 178.3808 44 C 4.3449 8.0895 116.5142 60.4113 37.9693 175.5909 45 C 4.4014 8.1903 117.6162 59.7601 39.4192 176.0075 46 Q 3.4069 7.9413 121.4188 59.0189 28.5251 178.4783 47 V 3.5351 7.8262 119.3778 66.1680 31.4895 177.4390 48 H 4.0000 8.6237 118.4616 59.2737 29.6661 176.9699 49 D 4.3503 8.4779 121.1665 57.5328 40.6397 178.5734 50 N 4.4230 8.1817 117.0019 56.1844 38.4536 176.7621 51 C 4.2969 8.2715 120.0200 60.0972 38.2512 175.0401 52 Y 3.9834 8.2294 118.4094 61.6019 37.1538 179.2296 53 T 4.0117 7.8929 115.7021 66.8026 68.7968 176.6387 54 Q 4.1365 8.4255 119.8368 58.6997 28.5900 178.7832 55 A 3.8934 8.6728 122.3984 55.2662 18.3621 179.5002 56 Q 4.2278 7.7291 113.9310 58.2021 28.8321 178.1781 57 Q 4.2298 7.4941 118.1757 55.7957 29.3394 175.7719 58 L 4.1067 7.5578 121.6903 54.0642 42.3276 176.4453 59 T 3.5056 8.4984 112.4213 62.5572 69.1081 173.4902 60 E 3.6716 8.6059 128.5198 57.3338 28.0675 174.6918 61 C 4.6770 7.3828 118.8066 54.6196 45.1899 172.2347 *67 S 4.9428 8.7485 119.9228 57.5050 62.4450 172.4131 68 P 3.9499 0.0000 0.0000 65.1461 31.4563 177.2137 69 Y 4.3289 7.5612 116.9274 59.8221 38.2474 176.7900 70 S 4.2876 7.4060 111.5543 58.3509 64.0593 174.2871 71 K 3.9636 8.1749 122.4324 56.4939 32.1846 175.9539 72 R 4.3581 8.4437 125.6733 55.0393 31.2749 175.0289 73 Y 4.8681 7.9441 119.5883 55.1108 41.3932 174.3994 74 S 5.0314 9.8873 115.4007 56.9613 63.8309 172.3785 75 Y 5.5384 8.7504 124.1488 55.4678 42.2572 173.2856 76 D 4.6458 9.3156 118.4016 52.5497 45.2038 173.0816 77 C 5.5218 8.5967 123.6096 54.3084 46.5761 174.1317 78 S 4.6449 8.4589 122.1029 58.1772 63.1018 173.6555 79 E 3.8026 8.3357 117.2162 56.5024 27.6706 175.5805 80 G 5.0524 7.6297 118.6690 45.8992 0.0000 173.3405 81 T 4.4726 6.9892 114.8963 59.8258 68.6495 173.0459 82 L 4.9659 8.3617 128.8532 54.7657 43.1867 176.6662 83 T 4.5495 8.7109 119.0915 62.5145 73.0677 172.3168 84 C 4.9253 8.8330 124.8979 55.5665 40.6760 173.9828 85 K 4.2728 8.4644 123.4867 56.3360 32.1395 177.8377 86 A 4.0744 8.7707 125.7684 55.7077 18.5017 179.6845 87 D 4.5419 8.2525 112.6802 55.8729 41.3606 176.6958 88 N 4.5413 8.7330 119.2949 52.6989 39.0634 175.5294 89 D 4.6441 8.6167 123.1822 52.5206 41.7053 176.7334 90 E 3.8449 8.7004 119.3441 59.9603 29.4035 179.4375 91 C 4.2683 8.1740 117.1515 59.7153 43.1576 175.1513 92 A 4.0292 9.4688 123.3387 55.1323 17.9164 179.4640 93 A 3.8880 8.3714 119.5617 55.3369 18.4964 179.7231 94 F 3.9774 8.0115 119.3610 61.2796 39.4796 177.6294 95 V 3.3488 8.0099 118.0318 65.9043 31.3299 177.0312 96 C 2.7980 8.1200 118.5869 59.4416 43.1451 175.1930 97 D 3.9607 7.7135 119.3564 57.1970 40.7992 177.6038 98 C 4.0040 7.5264 117.1665 60.0215 35.4396 175.8471 99 D 3.3700 7.7078 120.3917 56.8340 40.2930 178.8529 100 R 3.7370 7.7643 119.2746 59.2961 30.0944 178.6416 101 V 3.4685 7.5999 117.7974 65.9572 31.4443 177.9146 102 A 3.8452 7.6965 119.6923 54.8756 17.9800 179.1159 103 A 3.5796 8.0017 118.4578 55.4555 18.8217 179.6903 104 I 3.7527 7.7424 117.8247 64.6493 37.2971 177.5367 105 C 4.1318 8.1785 119.2903 60.0322 37.5161 175.5917 106 F 4.0503 8.9974 119.1111 60.7972 38.2746 177.5740 107 A 4.1849 7.8079 118.4700 54.5351 18.2230 178.9071 108 G 3.8345 7.7374 100.7941 44.0547 0.0000 173.4627 109 A 5.3398 7.3287 123.0842 48.9384 20.7980 175.2685 110 P 4.3870 0.0000 0.0000 62.5952 32.2509 175.6857 111 Y 4.2483 8.4865 122.5568 56.2950 38.6084 174.6375 112 N 4.7520 8.4159 126.5494 51.3421 39.0734 176.7694 113 K 3.8254 8.4776 124.0969 59.0659 32.3926 179.2934 114 E 3.8707 8.0388 117.0862 58.5688 29.6756 177.1236 115 N 4.4411 7.7788 115.7293 52.6486 38.6891 174.2544 116 I 3.8817 7.2227 119.9861 61.4661 38.6582 175.5245 117 N 4.3492 8.9522 122.1671 53.3153 37.3730 172.8109 118 I 4.0430 6.8826 111.9272 59.9367 39.8225 177.0029 119 D 4.5798 8.0959 120.7115 52.9501 39.5247 176.1358 120 T 3.8247 8.0414 114.5308 64.3974 69.3407 177.3738 121 T 3.8300 8.0657 117.8924 66.2172 68.5671 174.8708 122 T 4.2160 7.5743 108.1303 62.5548 69.7046 175.3846 123 R 4.3698 8.1692 119.9562 56.1139 30.6425 175.1898 124 C 4.5318 8.0453 119.6347 57.9034 42.0543 173.6093 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 H 8.30 4.74 0.00 3.14 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.61 4.11 0.00 2.15 1.90 1.49 0.89 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 3 V 9.02 3.74 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 1.01 0.00 0.00 0.97 0.00 0.00 4 Q 7.95 4.11 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.24 0.00 5 F 8.41 4.50 0.00 3.26 3.28 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 6 N 8.39 4.34 0.00 3.06 3.15 0.00 0.00 7.10 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 7 G 7.55 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 0.00 0.00 0.00 8 M 8.48 4.36 0.00 2.05 2.39 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.01 0.00 9 I 7.97 3.65 1.88 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.08 0.91 0.00 0.00 10 R 8.14 4.18 0.00 2.17 2.06 0.00 3.22 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 11 C 8.06 4.36 0.00 3.25 3.38 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 12 T 7.84 3.97 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 I 8.13 4.61 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.05 0.97 0.00 0.00 14 P 0.00 4.45 0.00 2.05 2.16 0.00 3.74 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 15 G 7.98 3.82 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 0.00 0.00 0.00 16 S 7.82 4.57 0.00 4.05 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 17 I 8.24 4.48 1.71 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.56 0.00 0.00 18 P 0.00 4.43 0.00 2.49 2.42 0.00 3.58 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 19 W 8.50 4.41 0.00 3.74 3.50 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 20 W 7.16 4.44 0.00 1.78 2.22 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 21 D 8.14 3.90 0.00 1.88 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.76 0.00 2.99 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 23 S 7.71 4.63 0.00 4.16 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.47 4.74 0.00 2.58 2.35 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 25 Y 8.57 4.59 0.00 2.90 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 26 G 7.82 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 27 C 9.11 4.41 0.00 3.02 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 28 Y 8.65 4.15 0.00 3.26 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 29 C 8.19 4.40 0.00 3.37 3.34 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 30 G 9.31 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 0.00 0.00 0.00 0.00 31 S 8.66 3.99 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 32 G 9.00 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 0.00 0.00 0.00 33 G 7.90 3.82 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 0.00 0.00 0.00 34 S 7.49 4.29 0.00 3.91 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 35 G 8.47 3.82 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 0.00 0.00 0.00 36 T 8.18 4.70 4.28 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 1.25 0.00 0.00 37 P 0.00 5.38 0.00 2.08 2.07 0.00 3.78 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 38 V 8.38 4.07 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 0.69 0.00 0.00 0.88 0.00 0.00 39 D 7.35 4.38 0.00 2.92 2.80 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 40 E 8.35 3.90 0.00 2.06 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 2.38 2.38 0.00 41 L 7.94 3.76 0.00 1.61 1.69 -0.07 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.69 4.47 0.00 3.14 2.93 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 43 R 7.90 3.90 0.00 2.05 1.93 0.00 3.19 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 44 C 8.09 4.34 0.00 3.30 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.19 4.40 0.00 3.29 3.29 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 46 Q 7.94 3.41 0.00 1.12 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 1.89 1.16 0.00 47 V 7.83 3.54 2.18 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 0.90 0.00 0.00 0.88 0.00 0.00 48 H 8.62 4.00 0.00 3.25 3.45 0.00 5.64 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 49 D 8.48 4.35 0.00 3.10 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 50 N 8.18 4.42 0.00 2.93 2.88 0.00 0.00 6.67 7.24 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 51 C 8.27 4.30 0.00 3.05 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 52 Y 8.23 3.98 0.00 3.17 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 53 T 7.89 4.01 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 1.27 0.00 0.00 54 Q 8.43 4.14 0.00 2.59 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 55 A 8.67 3.89 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.73 4.23 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 57 Q 7.49 4.23 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 58 L 7.56 4.11 0.00 1.57 1.48 0.57 0.82 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 59 T 8.50 3.51 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 1.18 0.00 0.00 60 E 8.61 3.67 0.00 2.02 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 2.21 2.22 0.00 61 C 7.38 4.68 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 4.94 0.00 3.95 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 68 P 0.00 3.95 0.00 0.49 1.21 0.00 3.65 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 1.48 0.00 69 Y 7.56 4.33 0.00 3.17 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 70 S 7.41 4.29 0.00 3.93 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 K 8.17 3.96 0.00 1.82 1.69 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.30 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.50 7.81 72 R 8.44 4.36 0.00 1.81 1.77 0.00 3.19 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 73 Y 7.94 4.87 0.00 2.97 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 74 S 9.89 5.03 0.00 3.95 3.96 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 75 Y 8.75 5.54 0.00 3.14 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 76 D 9.32 4.65 0.00 2.58 2.44 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 77 C 8.60 5.52 0.00 3.10 2.90 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 0.00 0.00 0.00 78 S 8.46 4.64 0.00 4.03 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 79 E 8.34 3.80 0.00 2.12 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 2.18 2.37 0.00 80 G 7.63 5.05 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 81 T 6.99 4.47 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 82 L 8.36 4.97 0.00 1.57 1.60 1.02 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.71 4.55 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 C 8.83 4.93 0.00 2.79 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 85 K 8.46 4.27 0.00 1.80 1.76 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.43 7.81 86 A 8.77 4.07 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 87 D 8.25 4.54 0.00 2.68 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 88 N 8.73 4.54 0.00 2.69 2.89 0.00 0.00 6.94 5.99 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 89 D 8.62 4.64 0.00 2.88 2.84 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 90 E 8.70 3.84 0.00 2.04 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 0.00 2.35 2.39 0.00 91 C 8.17 4.27 0.00 3.02 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 92 A 9.47 4.03 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.37 3.89 1.41 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 94 F 8.01 3.98 0.00 3.04 3.02 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 95 V 8.01 3.35 2.21 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 1.01 0.00 0.00 0.86 0.00 0.00 96 C 8.12 2.80 0.00 2.53 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 97 D 7.71 3.96 0.00 2.76 2.42 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 0.00 0.00 0.00 0.00 98 C 7.53 4.00 0.00 3.07 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 99 D 7.71 3.37 0.00 2.48 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 3.74 0.00 1.79 1.75 0.00 3.06 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 101 V 7.60 3.47 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 0.88 0.00 0.00 0.82 0.00 0.00 102 A 7.70 3.85 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 0.00 103 A 8.00 3.58 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 0.00 104 I 7.74 3.75 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.90 0.00 0.00 105 C 8.18 4.13 0.00 3.18 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 0.00 106 F 9.00 4.05 0.00 2.98 2.66 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 0.00 107 A 7.81 4.18 1.47 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 0.00 0.00 108 G 7.74 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 0.00 109 A 7.33 5.34 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 0.00 110 P 0.00 4.39 0.00 2.23 2.09 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 111 Y 8.49 4.25 0.00 2.91 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 0.00 112 N 8.42 4.75 0.00 2.84 2.68 0.00 0.00 6.73 7.51 0.00 0.00 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 K 8.48 3.83 0.00 1.79 1.84 0.00 1.73 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.54 7.81 114 E 8.04 3.87 0.00 1.86 1.91 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 2.26 2.23 0.00 115 N 7.78 4.44 0.00 2.19 1.90 0.00 0.00 6.80 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 0.00 116 I 7.22 3.88 1.79 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 1.15 0.32 0.69 0.00 0.00 117 N 8.95 4.35 0.00 2.58 2.65 0.00 0.00 7.17 8.41 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 0.00 118 I 6.88 4.04 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.60 0.72 0.00 0.00 119 D 8.10 4.58 0.00 2.65 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 0.00 120 T 8.04 3.82 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 1.13 0.00 0.00 121 T 8.07 3.83 4.35 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 1.19 0.00 0.00 122 T 7.57 4.22 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 1.19 0.00 0.00 123 R 8.17 4.37 0.00 1.87 1.90 0.00 3.14 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 124 C 8.05 4.53 0.00 2.98 2.95 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.