NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2840 8.3193 115.2903 56.3984 63.2944 172.2250 3 M 3.2471 9.3279 116.6730 54.5956 32.5267 175.3829 4 K 4.5952 9.0568 123.3373 54.5100 35.5184 177.2736 5 T 4.0414 8.3002 119.5261 62.8755 68.8520 174.4474 6 L 4.0375 8.4485 129.0739 54.4325 42.6293 174.9855 7 P 4.4832 0.0000 0.0000 62.3151 32.0749 175.6028 8 K 4.4421 8.3052 119.7446 55.1045 33.0508 176.2721 9 E 4.5994 8.3092 123.8372 54.2927 32.6779 174.5453 10 R 3.8446 8.5431 126.3541 56.3572 30.7271 175.3399 11 R 4.5311 7.7625 122.0052 54.5321 33.4927 175.1904 12 F 4.8430 8.2430 116.1529 57.1434 40.9757 176.6848 13 E 3.5739 8.4433 120.9716 57.0811 27.5947 174.8406 14 T 3.9346 8.3448 121.3578 66.3685 68.9216 174.3523 15 F 4.5141 9.0271 124.0289 57.7067 36.6393 176.0114 16 S 4.5982 8.2975 114.2461 59.5265 63.1518 174.2737 17 Y 4.3539 8.1153 117.6112 58.0408 38.4254 175.4068 18 L 4.6048 7.6326 120.2862 52.3457 43.2609 174.5781 19 P 4.2400 0.0000 0.0000 62.3430 31.7367 174.7526 20 P 4.2280 0.0000 0.0000 63.0856 31.7237 176.1277 21 L 4.3373 8.4015 123.1840 54.2553 42.3244 177.8857 22 S 4.3777 8.9617 119.0246 58.2249 65.0881 175.3216 23 D 4.4102 8.5683 121.9735 57.0717 40.6113 179.0124 24 R 4.0845 7.8980 118.4956 58.8384 30.1956 178.5992 25 Q 3.9569 7.8268 117.7111 58.6740 28.6654 178.6240 26 I 3.6826 8.1297 121.1361 64.4058 37.1234 178.3450 27 A 4.0910 8.1123 121.3827 55.0626 18.2060 179.5565 28 A 3.9758 7.9928 119.3215 55.4080 18.4069 179.9375 29 Q 4.0510 7.9555 116.3947 59.1943 28.7959 178.9481 30 I 4.0196 8.1382 120.9344 64.2222 37.0544 178.3276 31 E 4.0300 8.7010 120.1551 59.4215 29.2295 178.6029 32 Y 4.1044 8.0973 119.4179 61.1710 38.8731 177.6003 33 M 4.0153 8.2674 119.3647 58.9516 32.1584 178.6778 34 I 3.6398 7.9165 119.1284 64.6543 37.1999 178.2241 35 E 3.8497 7.9860 118.6417 59.1238 29.5299 178.1141 36 Q 3.6678 7.4287 117.9836 56.6372 29.0173 176.6489 37 G 3.7942 7.3557 107.3245 45.3105 0.0000 173.4944 38 F 4.9217 7.0535 117.7809 57.5677 40.0727 174.6601 39 H 4.9537 9.0798 119.3250 54.0534 30.3778 173.1743 40 P 4.9874 0.0000 0.0000 62.5008 32.9250 175.1184 41 L 4.9280 9.2423 124.9795 53.4842 45.9160 174.7334 42 I 5.0450 8.5518 126.0846 59.7638 39.7083 174.4020 43 E 5.5600 9.1898 125.6803 54.6420 34.0116 174.7131 44 F 5.7329 8.9435 115.9512 55.7030 41.9570 172.9933 45 N 4.9361 8.6516 117.8386 52.0012 41.8993 175.1685 46 E 4.0411 8.7518 122.3055 58.3181 30.3271 176.1194 47 H 5.1124 7.6247 114.9390 54.3003 33.1038 173.0903 48 S 4.5625 8.2521 114.6769 56.4946 61.0903 172.0244 49 N 4.8047 7.7744 119.8661 50.5737 39.7247 174.8440 50 P 4.4860 0.0000 0.0000 65.5179 31.6569 177.4690 51 E 3.8509 7.5745 118.6266 58.1812 29.7129 176.2784 *64 E 4.1097 7.7657 116.7852 56.2151 30.6943 175.8133 65 F 4.5054 8.3570 121.6234 59.4444 39.4753 175.6382 66 Y 4.9079 8.3236 117.8004 56.0066 39.6012 175.3720 67 W 4.7896 8.8646 124.0491 55.4707 32.0431 175.3676 68 T 4.2212 8.0588 117.8043 62.8092 69.3636 174.4031 69 M 4.4831 8.4155 126.2009 55.0910 33.2107 175.1537 70 W 4.7551 9.3853 135.0000 56.5097 31.4717 176.9026 71 K 3.3828 8.4923 128.2517 57.4485 30.9607 178.0236 72 L 4.8555 8.2395 124.5984 52.6249 45.2997 173.9417 73 P 4.2278 0.0000 0.0000 62.8976 31.7177 177.6894 74 L 4.3245 8.2403 122.9934 53.5032 40.0105 177.6505 75 F 4.3218 8.2168 120.6319 59.4425 39.7406 175.9058 76 A 4.8665 7.7252 122.2437 51.3740 19.1420 176.1136 77 C 4.2601 8.0771 121.8343 60.0259 32.2014 172.6577 78 A 4.5053 8.7360 129.0890 52.0072 20.5655 176.0145 79 A 4.7756 7.6774 119.0161 49.6688 21.1467 175.3941 80 P 4.2921 0.0000 0.0000 65.9161 31.3501 178.7056 81 Q 3.9533 8.0617 117.8009 59.0724 28.9163 177.6704 82 Q 4.0061 7.8820 120.8335 59.2834 29.0030 178.7942 83 V 3.6193 7.7481 118.5040 66.1505 31.7498 177.8670 84 L 4.0315 8.2401 118.9246 57.8879 41.3675 179.3207 85 D 4.3889 8.6937 119.3976 57.3801 40.6960 178.6539 86 E 4.1395 8.1433 119.1004 59.2913 29.4877 179.4326 87 V 3.4378 7.9722 118.4676 65.8897 31.6289 178.3977 88 R 3.8063 8.0797 117.7870 59.2156 29.8131 178.7287 89 E 3.9186 8.1628 118.3805 59.6668 29.4590 179.0650 90 C 2.4500 7.5972 118.8190 61.8740 31.1460 175.8610 91 R 3.7236 7.3941 119.0387 59.0681 29.6680 178.9197 92 S 4.1271 7.6069 112.9792 60.9838 63.0604 175.6025 93 E 3.9509 7.4705 122.0589 57.4078 30.6455 175.8341 94 Y 4.8017 7.9434 116.4188 57.0509 38.7392 177.0349 95 G 3.6381 7.8613 109.4862 47.7266 0.0000 174.2075 96 D 4.7436 8.0043 117.9863 53.5698 39.7866 175.4378 97 C 5.0130 7.7109 116.8606 58.0647 31.6271 173.4219 98 Y 4.4530 8.7521 119.0432 58.2561 38.9630 175.0463 99 I 5.4599 9.2083 123.5312 59.6984 41.2971 174.4278 100 R 4.9714 9.3986 126.5228 54.4968 33.7437 173.8056 101 V 4.6302 8.1267 125.4536 61.3362 33.4216 174.3981 102 A 5.1868 9.2156 129.1898 50.0339 22.7936 174.7448 103 G 4.5181 8.6841 107.1826 44.3350 0.0000 172.0319 104 F 4.8416 9.1633 125.9263 55.9874 42.4667 173.3692 105 D 5.0598 8.1222 127.1345 53.2108 41.5037 176.5345 106 N 4.9391 9.1466 123.6214 54.3672 38.4381 176.4848 107 I 4.0056 8.0830 120.1254 64.1381 37.4118 177.2996 108 K 4.0243 8.1999 116.2450 56.4618 32.8460 176.0730 109 E 3.8517 8.0501 119.0526 56.7977 27.8810 172.8100 110 C 4.5125 7.2697 118.3781 57.4984 36.3419 173.2926 111 Q 4.2369 8.3536 125.3125 56.2933 28.6305 175.3193 112 T 4.2195 8.7189 116.8922 62.2179 70.7606 174.9359 113 S 4.8967 7.3270 116.1110 56.7317 67.4962 173.4738 114 S 4.9424 8.6015 111.4715 57.8639 64.8543 175.1854 115 F 5.0911 8.0854 121.9973 55.4687 41.5491 173.8950 116 I 4.3240 8.6991 122.6564 61.8159 37.3806 176.2136 117 V 4.5049 8.6932 118.3238 61.8319 33.2452 175.6440 118 H 4.8843 8.0853 120.3550 54.7652 33.2120 172.0514 119 R 4.5416 8.1105 124.0093 53.2251 32.6545 174.0447 120 P 4.5291 0.0000 0.0000 61.6167 32.5846 175.6244 121 G 3.6528 8.7610 108.0948 46.7851 0.0000 173.7420 122 R 4.1029 8.4770 122.0650 56.1302 31.0526 176.2562 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 S 8.32 4.28 0.00 3.85 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 3 M 9.33 3.25 0.00 2.44 2.24 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 2.43 2.63 0.00 4 K 9.06 4.60 0.00 1.75 1.75 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 T 8.30 4.04 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 6 L 8.45 4.04 0.00 1.60 1.60 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.48 0.00 2.08 1.97 0.00 3.73 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 2.03 2.11 0.00 8 K 8.31 4.44 0.00 1.74 1.74 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.41 7.81 9 E 8.31 4.60 0.00 1.84 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 2.17 2.30 0.00 10 R 8.54 3.84 0.00 1.74 1.68 0.00 3.12 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.47 0.00 11 R 7.76 4.53 0.00 1.72 1.69 0.00 3.15 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 12 F 8.24 4.84 0.00 3.10 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 13 E 8.44 3.57 0.00 2.18 1.81 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 2.30 2.23 0.00 14 T 8.34 3.93 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 0.35 0.00 0.00 15 F 9.03 4.51 0.00 3.27 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 16 S 8.30 4.60 0.00 4.23 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 0.00 17 Y 8.12 4.35 0.00 2.98 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 18 L 7.63 4.60 0.00 1.81 1.59 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.24 0.00 2.02 2.02 0.00 3.71 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 20 P 0.00 4.23 0.00 2.04 2.04 0.00 3.68 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 2.05 2.16 0.00 21 L 8.40 4.34 0.00 1.62 1.51 0.57 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.96 4.38 0.00 4.03 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 23 D 8.57 4.41 0.00 2.79 2.77 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 0.00 0.00 0.00 24 R 7.90 4.08 0.00 1.84 1.95 0.00 3.12 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 25 Q 7.83 3.96 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 26 I 8.13 3.68 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.04 1.13 0.00 0.00 27 A 8.11 4.09 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 28 A 7.99 3.98 1.37 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 29 Q 7.96 4.05 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.24 1.84 0.00 30 I 8.14 4.02 2.12 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 1.70 1.30 1.00 0.00 0.00 31 E 8.70 4.03 0.00 2.25 2.05 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 2.36 2.45 0.00 32 Y 8.10 4.10 0.00 3.10 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 33 M 8.27 4.02 0.00 2.26 2.46 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.96 0.00 34 I 7.92 3.64 1.98 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 1.79 1.03 0.95 0.00 0.00 35 E 7.99 3.85 0.00 1.93 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 0.00 2.18 2.25 0.00 36 Q 7.43 3.67 0.00 1.25 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.51 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 37 G 7.36 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 38 F 7.05 4.92 0.00 2.96 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 39 H 9.08 4.95 0.00 3.35 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.99 0.00 2.11 2.02 0.00 3.83 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 41 L 9.24 4.93 0.00 1.62 1.45 0.90 0.97 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 42 I 8.55 5.04 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.71 0.91 0.00 0.00 43 E 9.19 5.56 0.00 2.11 2.12 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 2.28 2.24 0.00 44 F 8.94 5.73 0.00 3.04 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 45 N 8.65 4.94 0.00 1.44 1.42 0.00 0.00 7.17 7.10 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 46 E 8.75 4.04 0.00 1.89 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 2.13 2.20 0.00 47 H 7.62 5.11 0.00 3.01 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.25 4.56 0.00 2.84 3.54 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 49 N 7.77 4.80 0.00 2.76 2.69 0.00 0.00 6.74 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 50 P 0.00 4.49 0.00 2.15 2.16 0.00 3.73 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 1.95 1.95 0.00 51 E 7.57 3.85 0.00 2.19 1.87 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 2.26 2.25 0.00 *64 E 7.77 4.11 0.00 2.10 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 2.14 2.23 0.00 65 F 8.36 4.51 0.00 2.37 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 0.00 0.00 0.00 66 Y 8.32 4.91 0.00 3.07 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 67 W 8.86 4.79 0.00 3.12 3.19 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 68 T 8.06 4.22 2.69 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 0.99 0.00 0.00 69 M 8.42 4.48 0.00 2.02 1.96 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 2.60 2.69 0.00 70 W 9.39 4.76 0.00 3.72 3.32 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 71 K 8.49 3.38 0.00 1.63 0.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.81 0.21 7.81 72 L 8.24 4.86 0.00 1.54 1.50 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.23 0.00 0.49 1.47 0.00 3.47 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 74 L 8.24 4.32 0.00 1.71 1.63 0.98 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.22 4.32 0.00 3.07 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 76 A 7.73 4.87 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 77 C 8.08 4.26 0.00 3.08 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 78 A 8.74 4.51 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 79 A 7.68 4.78 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 80 P 0.00 4.29 0.00 2.20 2.19 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 81 Q 8.06 3.95 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 82 Q 7.88 4.01 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 83 V 7.75 3.62 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 1.07 0.00 0.00 0.99 0.00 0.00 84 L 8.24 4.03 0.00 1.89 1.73 0.96 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.69 4.39 0.00 2.85 2.75 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 86 E 8.14 4.14 0.00 2.20 2.25 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 2.64 2.62 0.00 87 V 7.97 3.44 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 0.98 0.00 0.00 0.99 0.00 0.00 88 R 8.08 3.81 0.00 2.03 1.91 0.00 3.32 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 89 E 8.16 3.92 0.00 2.34 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 0.00 2.44 2.41 0.00 90 C 7.60 2.45 0.00 1.31 2.40 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 91 R 7.39 3.72 0.00 1.85 1.78 0.00 3.08 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.17 0.00 92 S 7.61 4.13 0.00 3.98 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 93 E 7.47 3.95 0.00 1.86 1.92 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 2.14 1.47 0.00 94 Y 7.94 4.80 0.00 2.74 2.61 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 95 G 7.86 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 0.00 0.00 0.00 96 D 8.00 4.74 0.00 2.78 2.75 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 97 C 7.71 5.01 0.00 3.12 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 98 Y 8.75 4.45 0.00 2.84 3.12 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 0.00 0.00 0.00 99 I 9.21 5.46 1.97 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.96 0.98 0.00 0.00 100 R 9.40 4.97 0.00 1.66 1.49 0.00 2.38 0.00 0.00 2.83 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.19 0.00 101 V 8.13 4.63 1.16 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 0.77 0.00 0.00 0.81 0.00 0.00 102 A 9.22 5.19 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 0.00 103 G 8.68 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 0.00 0.00 0.00 0.00 104 F 9.16 4.84 0.00 3.18 3.03 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 0.00 105 D 8.12 5.06 0.00 2.27 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 0.00 106 N 9.15 4.94 0.00 3.05 3.27 0.00 0.00 6.32 7.81 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 0.00 107 I 8.08 4.01 2.07 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 0.61 0.93 0.00 0.00 108 K 8.20 4.02 0.00 1.73 1.77 0.00 1.88 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.49 7.81 109 E 8.05 3.85 0.00 2.10 1.96 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 2.44 2.66 0.00 110 C 7.27 4.51 0.00 2.81 2.41 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 0.00 111 Q 8.35 4.24 0.00 2.14 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.66 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 112 T 8.72 4.22 3.55 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 0.43 0.00 0.00 113 S 7.33 4.90 0.00 3.99 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 0.00 114 S 8.60 4.94 0.00 3.71 3.62 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 0.00 115 F 8.09 5.09 0.00 3.31 3.19 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 0.00 116 I 8.70 4.32 1.99 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 1.57 0.99 1.04 0.00 0.00 117 V 8.69 4.50 2.17 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 0.74 0.00 0.00 0.98 0.00 0.00 118 H 8.09 4.88 0.00 3.12 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.11 4.54 0.00 1.45 1.44 0.00 3.20 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.47 0.00 120 P 0.00 4.53 0.00 1.86 1.92 0.00 2.20 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 1.53 1.12 0.00 121 G 8.76 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 0.00 0.00 0.00 122 R 8.48 4.10 0.00 1.99 1.91 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.