NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4489 8.3193 115.2908 57.7657 63.7321 173.1803 6 P 4.4477 0.0000 0.0000 62.5040 31.9441 172.0560 7 V 4.1160 8.1389 117.9413 63.7551 32.6057 176.3567 8 A 4.0473 7.3129 120.8448 52.5874 18.5350 177.8604 9 L 4.4295 8.3785 123.3021 54.6994 42.6724 176.6212 10 R 4.5744 8.3485 121.2266 54.3965 33.8678 174.5467 11 Q 5.4264 8.0525 118.2293 53.6746 32.4305 174.9067 12 M 4.5402 7.8919 114.6440 54.6866 33.6773 174.5214 13 S 4.9852 8.8865 116.0327 58.9641 64.8071 172.3756 14 C 4.6196 8.8966 114.9267 57.3805 33.4471 172.3048 15 A 5.3988 8.2614 120.2553 50.6742 19.9048 176.2189 16 A 4.9797 8.1822 121.0564 51.2559 23.3402 175.0197 17 G 4.1005 8.9416 105.6083 45.8586 0.0000 174.6872 18 T 4.6366 8.6893 110.0693 63.4201 69.4118 174.6652 19 T 4.8479 7.4530 110.2321 59.6593 71.7565 173.7360 20 Q 3.7207 8.2150 121.4456 59.1889 28.6646 179.4254 21 T 3.8897 7.5658 105.8727 63.9843 69.1729 175.4827 22 A 4.0296 7.6140 124.8982 54.8478 18.5436 177.6459 23 C 4.4617 7.8402 113.2738 59.9319 28.1358 173.7351 24 T 4.7204 8.2628 111.5687 61.4849 71.6691 173.0484 25 D 4.4763 7.5064 121.1875 53.9833 43.8699 173.9814 26 D 4.8461 8.4083 116.9315 54.6185 39.3669 175.3818 27 N 4.7180 8.2064 119.8875 55.2189 40.0224 173.9211 28 A 4.7620 8.0398 118.6344 50.7209 23.6243 174.0380 29 L 5.0022 8.8336 119.1289 53.4772 44.8002 175.3696 30 A 5.2508 9.4585 128.5953 50.6296 21.8860 174.7729 31 Y 5.0225 9.0728 120.2805 56.6551 40.0391 174.7120 32 Y 5.2690 8.6269 121.5430 55.9227 42.7669 173.0144 33 N 5.5911 9.6703 116.6518 51.0626 43.2505 174.3761 34 N 5.4367 8.4553 114.8345 53.4325 39.7112 176.6044 35 S 4.3572 8.4790 116.2535 61.3143 63.3250 175.3411 36 K 4.4093 7.7119 116.1170 56.7974 36.3496 176.0489 *39 R 4.2540 7.8125 116.6495 55.8259 31.0217 174.1191 40 F 4.9582 9.1334 126.1695 56.4958 41.1085 174.4275 41 V 4.1371 8.1434 127.0948 62.5337 31.6931 175.3559 42 L 4.3278 8.9236 127.5573 56.1449 43.7908 176.1222 43 A 5.1412 7.6477 117.4228 51.3055 22.6578 175.1340 44 L 5.4164 9.4228 119.3485 52.8802 45.7384 175.5542 45 L 5.4695 8.7950 123.9172 53.6987 45.0929 175.1342 46 S 4.9485 9.1526 118.7821 57.9727 66.0035 174.9830 47 D 4.6059 8.8090 122.4102 56.0874 41.2201 176.9739 48 H 4.5641 7.9304 117.0201 55.3950 29.2982 175.1696 49 Q 3.4180 8.2609 119.7860 55.7996 28.9148 175.1344 50 D 4.9115 7.6982 116.6609 53.9133 42.1577 175.2272 51 L 4.2640 7.9638 117.1871 54.4795 42.1024 177.1615 52 K 4.5495 9.3323 119.3414 55.6196 35.1980 176.0148 53 W 5.6928 8.1587 118.0970 54.7011 34.0521 173.8229 54 A 4.9704 9.0470 123.6991 50.1910 21.3436 174.9509 55 R 4.4364 8.7435 124.2117 54.4903 31.8999 175.5652 56 F 4.7732 8.8856 124.4430 54.9248 43.2271 172.3957 57 P 4.5764 0.0000 0.0000 62.0699 31.7041 176.4582 58 K 3.7465 8.7639 124.4798 57.1612 32.2949 176.8915 59 S 4.0734 9.0438 120.0443 61.9729 63.5036 175.6312 60 D 4.6308 7.8293 120.6134 54.0856 39.3437 177.5058 61 G 3.6596 8.4725 117.4051 45.1974 0.0000 172.6368 62 T 3.2898 9.5620 113.7180 61.5387 67.6447 171.1704 63 G 4.1296 6.3923 106.0339 44.1758 0.0000 172.7151 64 T 5.2209 8.0190 109.5640 59.7364 72.3010 173.1980 65 I 4.7772 8.8354 121.5649 59.6846 41.1418 174.4111 66 Y 5.2258 8.9363 123.1557 56.7312 40.3356 175.0238 67 T 4.8784 9.2102 121.5866 61.8746 71.3848 173.5971 68 E 3.9229 8.6915 126.2792 55.6391 30.9622 175.3278 69 L 4.9996 8.0525 126.3360 53.4415 44.1234 175.7592 70 E 4.6519 8.4247 120.2545 54.0610 31.5894 174.5732 71 P 4.3544 0.0000 0.0000 62.4848 31.8769 174.8626 72 P 4.3808 0.0000 0.0000 62.7474 32.7798 174.8088 73 C 4.7580 8.7463 118.3999 58.1561 30.3883 172.9098 74 R 4.6513 8.5119 123.7960 54.7016 31.4078 175.0552 75 F 4.9433 8.0094 119.6545 55.6013 41.6759 173.4738 76 V 4.5566 8.3701 119.7295 62.4477 33.2469 174.8443 77 T 4.8732 8.4113 119.8981 62.4501 73.3323 172.7436 78 D 5.1614 8.6011 122.9185 53.8968 42.8807 176.0462 79 T 4.6967 8.1931 115.1664 61.4480 72.9650 173.2358 80 P 4.1865 0.0000 0.0000 66.1093 31.0157 177.5909 81 K 4.0754 7.8677 115.2345 56.2216 32.3153 175.0358 82 G 3.7326 8.4927 105.2198 43.0248 0.0000 171.2117 83 P 4.6430 0.0000 0.0000 63.1108 32.2997 176.4070 84 K 4.4616 8.9818 123.9440 54.9463 35.8623 174.9538 85 V 4.0947 8.3702 127.8588 62.2035 32.2394 175.0479 86 K 4.4374 8.1137 126.9288 54.5161 36.1599 174.4788 87 Y 4.8997 8.8089 118.7556 56.1494 41.2668 174.5549 88 L 5.1138 9.2404 126.6585 53.5454 44.6440 174.4625 89 Y 4.8997 9.5089 124.8956 56.2347 40.6979 175.0671 90 F 5.1817 8.6120 123.8158 56.6693 40.7805 175.7750 91 I 4.3846 8.6894 115.9949 60.2500 39.0366 175.4039 92 K 3.7850 8.6337 125.3703 58.2867 32.2513 177.3285 93 G 3.9447 9.1187 113.3360 45.2896 0.0000 173.1783 94 L 4.0654 7.4612 122.4829 54.7397 42.6918 177.2254 95 N 4.6297 8.5334 123.4529 52.5774 39.5834 175.9478 96 N 4.2185 8.4891 118.1975 55.8978 38.5443 177.4109 97 L 3.8903 7.8563 121.5855 58.4419 42.2693 178.7972 98 N 4.4444 9.4789 117.0349 56.0049 38.3570 177.8106 99 R 3.7818 7.6014 119.6877 58.9652 30.0777 179.0686 100 G 3.6107 8.2627 105.8630 47.9468 0.0000 175.5478 101 M 3.9871 7.9688 120.9964 58.2221 32.0153 178.7952 102 V 3.3274 7.6991 118.2118 65.9780 31.6073 177.8788 103 L 3.8195 7.9441 118.4251 57.8981 41.3029 179.1876 104 E 3.8777 7.8080 117.6020 59.3820 29.7480 178.4954 105 S 4.1981 8.0030 113.2159 61.1707 62.1931 175.8293 106 L 3.9337 7.6617 122.1631 57.5920 41.8691 178.3262 107 A 4.2330 7.7684 119.5385 53.0928 18.4249 177.4283 108 A 4.3118 6.9103 118.0775 51.4145 22.3289 176.3859 109 T 4.0352 8.5406 121.0125 63.7757 69.1299 174.4033 110 V 4.3714 8.0014 124.8250 61.2044 34.3643 174.7297 111 R 4.1695 8.5505 126.5064 56.2547 30.5843 176.5854 112 L 4.4012 8.3807 120.6772 55.2919 42.4874 176.4218 113 Q 4.6927 7.5697 114.9469 54.0788 31.7226 175.0798 114 L 4.1498 8.4157 118.4191 57.2439 42.1280 177.4503 115 E 4.2652 7.9656 116.9787 55.4669 30.5470 176.1839 116 H 4.2168 8.7349 118.3220 56.9722 29.7708 174.2681 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 5 S 8.32 4.45 0.00 3.85 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 6 P 0.00 4.45 0.00 2.36 2.25 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 7 V 8.14 4.12 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 0.85 0.00 0.00 0.95 0.00 0.00 8 A 7.31 4.05 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 9 L 8.38 4.43 0.00 1.59 1.69 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.35 4.57 0.00 0.67 1.37 0.00 3.05 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 11 Q 8.05 5.43 0.00 1.76 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 1.37 1.93 0.00 12 M 7.89 4.54 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.70 0.00 13 S 8.89 4.99 0.00 3.89 3.90 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 14 C 8.90 4.62 0.00 2.41 3.08 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 15 A 8.26 5.40 1.11 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 0.00 0.00 0.00 16 A 8.18 4.98 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 17 G 8.94 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 0.00 0.00 0.00 18 T 8.69 4.64 4.27 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 1.30 0.00 0.00 19 T 7.45 4.85 4.18 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 1.23 0.00 0.00 20 Q 8.22 3.72 0.00 1.44 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.95 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 21 T 7.57 3.89 4.18 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 1.10 0.00 0.00 22 A 7.61 4.03 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 23 C 7.84 4.46 0.00 3.07 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 24 T 8.26 4.72 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 1.28 0.00 0.00 25 D 7.51 4.48 0.00 2.65 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 26 D 8.41 4.85 0.00 2.65 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 27 N 8.21 4.72 0.00 2.65 2.88 0.00 0.00 6.93 7.35 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 28 A 8.04 4.76 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 29 L 8.83 5.00 0.00 1.75 1.51 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.46 5.25 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 31 Y 9.07 5.02 0.00 3.00 2.87 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 32 Y 8.63 5.27 0.00 2.97 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 33 N 9.67 5.59 0.00 2.85 3.03 0.00 0.00 7.20 7.16 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 34 N 8.46 5.44 0.00 2.70 2.83 0.00 0.00 6.85 7.57 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 35 S 8.48 4.36 0.00 3.90 3.95 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 36 K 7.71 4.41 0.00 1.56 1.68 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.42 7.81 *39 R 7.81 4.25 0.00 1.60 1.52 0.00 2.69 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 0.00 40 F 9.13 4.96 0.00 3.05 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 41 V 8.14 4.14 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 0.94 0.00 0.00 0.24 0.00 0.00 42 L 8.92 4.33 0.00 1.60 1.68 0.66 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.65 5.14 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 44 L 9.42 5.42 0.00 1.62 1.59 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.79 5.47 0.00 2.03 1.66 1.32 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.15 4.95 0.00 3.99 3.85 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 47 D 8.81 4.61 0.00 2.60 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 48 H 7.93 4.56 0.00 3.18 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.26 3.42 0.00 1.36 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.44 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 50 D 7.70 4.91 0.00 2.54 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.26 0.00 0.70 1.20 0.67 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.33 4.55 0.00 1.64 1.50 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.75 7.81 53 W 8.16 5.69 0.00 3.32 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 54 A 9.05 4.97 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 55 R 8.74 4.44 0.00 1.50 1.50 0.00 3.04 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.00 56 F 8.89 4.77 0.00 2.94 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 57 P 0.00 4.58 0.00 1.93 1.97 0.00 3.74 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 58 K 8.76 3.75 0.00 1.95 1.78 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.38 7.81 59 S 9.04 4.07 0.00 3.85 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 60 D 7.83 4.63 0.00 2.78 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 61 G 8.47 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 0.00 0.00 0.00 62 T 9.56 3.29 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 1.35 0.00 0.00 63 G 6.39 4.13 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 0.00 64 T 8.02 5.22 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 1.19 0.00 0.00 65 I 8.84 4.78 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 1.28 0.68 1.04 0.00 0.00 66 Y 8.94 5.23 0.00 2.80 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 67 T 9.21 4.88 4.47 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 1.33 0.00 0.00 68 E 8.69 3.92 0.00 1.80 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.47 0.00 69 L 8.05 5.00 0.00 1.52 1.68 0.59 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.42 4.65 0.00 2.01 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 0.00 2.33 2.67 0.00 71 P 0.00 4.35 0.00 2.05 2.01 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 72 P 0.00 4.38 0.00 1.62 0.49 0.00 3.69 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 1.88 1.84 0.00 73 C 8.75 4.76 0.00 2.84 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 74 R 8.51 4.65 0.00 1.68 1.71 0.00 3.15 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.00 75 F 8.01 4.94 0.00 3.11 3.01 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 0.00 0.00 0.00 76 V 8.37 4.56 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 0.78 0.00 0.00 0.89 0.00 0.00 77 T 8.41 4.87 4.30 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 1.30 0.00 0.00 78 D 8.60 5.16 0.00 2.57 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 4.70 4.53 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 1.24 0.00 0.00 80 P 0.00 4.19 0.00 2.17 2.21 0.00 3.77 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 2.00 2.01 0.00 81 K 7.87 4.08 0.00 1.77 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.43 7.81 82 G 8.49 3.73 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 0.00 0.00 0.00 83 P 0.00 4.64 0.00 1.93 1.99 0.00 3.64 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 2.02 2.09 0.00 84 K 8.98 4.46 0.00 1.74 1.55 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.34 7.81 85 V 8.37 4.09 1.94 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 0.41 0.00 0.00 0.80 0.00 0.00 86 K 8.11 4.44 0.00 0.79 0.93 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.33 7.81 87 Y 8.81 4.90 0.00 3.24 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 88 L 9.24 5.11 0.00 1.87 1.45 0.74 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 9.51 4.90 0.00 2.96 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 90 F 8.61 5.18 0.00 3.13 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 91 I 8.69 4.38 1.95 0.00 0.00 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 1.34 1.21 1.03 0.00 0.00 92 K 8.63 3.78 0.00 1.69 1.79 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.41 7.81 93 G 9.12 3.94 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 0.00 0.00 0.00 94 L 7.46 4.07 0.00 1.76 1.52 1.04 1.02 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 95 N 8.53 4.63 0.00 3.00 2.92 0.00 0.00 6.28 6.96 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 96 N 8.49 4.22 0.00 2.69 2.83 0.00 0.00 6.43 6.74 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 97 L 7.86 3.89 0.00 1.73 1.81 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 98 N 9.48 4.44 0.00 2.93 2.88 0.00 0.00 7.12 7.54 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 99 R 7.60 3.78 0.00 1.70 1.47 0.00 2.94 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 100 G 8.26 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.97 3.99 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.54 0.00 102 V 7.70 3.33 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 0.74 0.00 0.00 1.01 0.00 0.00 103 L 7.94 3.82 0.00 1.86 1.64 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 E 7.81 3.88 0.00 1.92 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 2.30 2.33 0.00 105 S 8.00 4.20 0.00 3.91 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 0.00 106 L 7.66 3.93 0.00 1.54 1.70 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.77 4.23 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 0.00 108 A 6.91 4.31 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 0.00 109 T 8.54 4.04 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 1.22 0.00 0.00 110 V 8.00 4.37 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 0.81 0.00 0.00 0.93 0.00 0.00 111 R 8.55 4.17 0.00 1.84 1.83 0.00 3.24 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 112 L 8.38 4.40 0.00 1.61 1.70 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.57 4.69 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.08 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 114 L 8.42 4.15 0.00 1.66 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 115 E 7.97 4.27 0.00 1.97 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 0.00 2.33 2.30 0.00 116 H 8.73 4.22 0.00 3.08 3.25 0.00 5.95 0.00 0.00 0.00 0.00 6.91 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.