NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.8941 8.5598 114.6849 58.5035 62.4019 172.1610 -1 N 4.8979 8.1386 125.7646 49.9666 40.2069 174.5499 0 A 4.2146 8.9602 122.0681 52.3641 18.3824 181.1541 0 T 4.2446 8.8702 111.8681 61.6641 69.0824 178.0541 3 H 4.2869 8.3322 119.8501 59.6036 29.7870 176.9726 4 E 3.8961 8.1249 119.9449 59.4626 29.3842 179.2135 5 T 4.0230 7.8237 109.3713 64.4829 69.1122 176.5567 6 D 4.4068 8.0241 121.4495 57.2790 40.9565 178.2962 7 Q 3.9520 8.1297 120.0234 59.0809 29.1107 177.9608 8 L 3.9781 8.0813 121.4407 58.2502 42.1493 178.0854 9 Y 4.2452 8.5182 119.9011 60.9419 38.4569 178.0077 10 Q 4.0805 8.2752 120.2420 58.4724 29.5417 177.8190 11 A 4.1303 8.0569 121.7262 55.2271 18.4906 179.7160 12 V 3.5475 8.2753 117.0364 66.3775 31.7364 178.2888 13 Q 3.8220 8.3006 117.6349 58.4791 28.3688 178.1993 14 A 4.2142 7.7563 120.7663 53.9995 18.3796 179.3985 15 T 3.7865 7.7399 115.1395 66.6065 68.5567 176.4392 16 R 3.8190 7.8106 120.0664 58.9539 30.2489 176.6362 17 P 4.2430 0.0000 0.0000 65.5761 31.1912 177.8911 18 L 3.8690 8.2401 120.5489 57.9955 42.0262 178.7425 19 L 3.9157 8.0162 120.1892 57.9925 41.9666 178.5668 20 R 3.8675 7.8334 118.5607 59.8400 29.9843 178.2215 21 N 4.3198 8.4488 116.2544 56.1744 38.5239 177.3065 22 I 3.6221 8.1392 121.6446 64.8289 37.2737 178.4563 23 T 3.8094 7.9559 115.9041 66.6548 68.1580 176.5018 24 A 3.9772 8.1529 122.3665 55.0758 17.9088 179.5572 25 A 3.9339 8.4740 119.6050 55.2681 18.4124 179.9009 26 V 3.5507 8.2172 117.1690 66.2743 31.5141 177.7225 27 E 4.0693 8.2027 120.1968 58.7285 29.1377 178.9233 28 R 4.0098 7.6105 117.4561 59.2885 30.5996 178.9810 29 G 3.7367 7.8163 104.5316 47.9296 0.0000 175.9852 30 T 4.0182 8.1999 112.6600 64.5790 68.8533 176.7694 31 L 4.1231 8.2685 121.8361 57.3286 41.3445 179.5568 32 R 3.9334 7.4795 116.4907 58.8488 30.1119 177.2295 33 E 4.3723 8.1205 114.7227 55.9659 29.5564 176.4422 34 G 3.9234 8.3126 106.4191 45.8454 0.0000 173.9447 35 V 4.6280 7.6979 111.2840 58.7627 35.4688 175.9115 36 T 4.4003 8.4882 112.8837 60.6307 71.5134 176.1906 37 V 3.6729 8.2157 119.7957 65.9702 31.3941 177.9833 38 G 3.7794 7.9810 106.3345 47.4326 0.0000 175.4575 39 Q 3.9424 8.0192 120.8648 58.5434 28.6672 178.7115 40 R 3.8467 8.2130 119.6251 59.5895 29.9502 178.2193 41 A 4.0102 8.0067 120.2243 55.3417 18.3517 179.7522 42 I 3.6304 7.5824 117.9584 64.4575 37.1459 178.6287 43 L 3.9718 8.1269 120.0803 57.7209 41.4233 179.2581 44 E 4.0037 8.6670 119.7601 59.1782 29.5358 178.8943 45 G 3.6920 8.2639 105.9839 48.1110 0.0000 175.5923 46 L 3.9714 8.1354 121.2416 56.9428 41.3598 179.4921 47 S 4.2120 8.0259 112.9909 61.3411 62.3960 175.8806 48 L 4.3420 7.8110 120.9459 56.3788 42.7185 177.5018 49 T 4.5010 7.9580 109.6244 58.1493 68.4567 170.5278 50 P 4.0355 0.0000 0.0000 64.1500 32.1210 177.0289 51 G 2.0538 7.2390 110.0322 44.4992 0.0000 173.7310 52 A 4.1467 7.0484 123.2386 52.0282 19.0537 177.8358 53 T 5.2541 8.8544 112.5395 60.0204 71.4336 176.2305 54 A 3.9599 8.6067 123.0446 55.0417 18.4139 178.1844 55 P 4.2101 0.0000 0.0000 65.7258 31.3090 178.8127 56 Q 3.9741 8.1431 116.9070 58.8971 28.5790 178.7650 57 L 4.0403 8.2315 120.3001 57.7592 41.7490 179.6122 58 G 3.7445 8.3768 105.6416 47.9839 0.0000 175.3991 59 A 3.9985 7.9720 122.0129 54.7511 18.4844 179.3093 60 A 4.0760 8.0816 118.3441 54.8916 18.6080 179.0819 61 L 4.4133 8.2306 114.9577 53.5352 42.8723 176.3109 62 Q 3.1757 7.3693 116.9940 56.0485 26.1583 173.4575 *64 K 4.1663 7.8053 119.9803 55.6016 34.8169 176.4341 65 R 3.9844 8.3938 118.6612 59.5283 29.3247 178.9002 66 Q 3.9435 8.0765 119.8243 59.0914 28.6834 177.5413 67 Y 3.9473 7.9748 120.0167 60.7256 38.9782 177.6220 68 I 3.6773 7.8568 120.7385 64.5835 37.1306 178.6343 69 S 4.0689 8.3331 116.2369 61.4593 62.6749 176.7829 70 R 3.7883 7.8277 121.3760 59.4687 29.8121 178.7433 71 I 3.5619 7.3755 119.5675 64.1799 37.1056 178.2155 72 L 3.7720 8.0584 120.2644 57.9881 41.3122 179.7178 73 Q 3.9825 7.7814 117.4875 58.8597 28.6207 178.6334 74 E 3.9074 7.8915 119.0579 59.6993 29.4979 179.9780 75 V 3.6978 7.8912 112.2387 64.0003 31.5215 178.5987 76 Q 4.1051 8.1472 119.7279 59.1784 28.7418 177.9574 77 R 3.8896 8.0468 118.5754 59.2131 30.1735 177.4889 78 A 4.3400 7.7677 117.8176 51.8349 18.6565 177.5541 79 G 3.8459 7.9625 105.3721 46.4236 0.0000 174.7183 80 L 4.6977 8.3310 121.4222 54.6480 43.5129 176.3005 81 I 5.3949 7.7377 110.5704 59.0294 41.1631 174.1904 82 E 4.9320 9.4849 119.9390 54.7413 33.3966 174.0360 83 R 4.8842 8.6860 120.8861 54.9292 31.6354 175.3879 84 R 4.8540 8.8889 125.0695 54.0985 33.4312 175.9552 85 T 4.0457 8.4468 111.3801 61.8649 69.3966 173.8876 86 N 4.8284 8.4267 122.4152 51.2402 38.9552 173.0150 87 P 4.5083 0.0000 0.0000 64.1441 32.1484 177.8608 88 E 4.1050 8.1811 118.6805 59.1026 29.8342 176.2224 89 H 4.6274 7.8176 119.1669 54.2703 30.6727 172.8398 90 A 4.3365 8.4506 129.1516 54.2951 18.4842 178.9938 91 R 3.9193 7.7385 114.6472 59.1132 30.3531 177.1475 92 S 4.4799 7.6939 115.4861 57.0540 61.6355 172.2555 93 H 4.3517 7.8268 120.5900 55.7810 30.0766 174.2951 94 R 4.9228 8.1053 121.5432 54.5108 33.2517 174.4339 95 Y 5.4339 8.4329 119.9703 56.1399 41.6831 174.7853 96 W 5.3059 9.3920 121.2068 54.5297 33.7081 174.9090 97 L 4.6768 8.8515 123.1381 55.5202 41.9924 177.1767 98 T 4.3617 8.6982 113.2695 60.3088 70.6158 173.9028 99 P 4.2869 0.0000 0.0000 65.7888 31.1509 178.8961 100 R 3.9687 8.0540 117.0072 59.4069 30.1315 178.5414 101 G 3.6638 8.0107 105.3665 47.8077 0.0000 175.0826 102 E 3.9569 8.6885 121.9700 58.9774 29.6701 178.8149 103 A 3.9866 8.2156 120.7965 55.1754 18.3790 179.6393 104 I 3.6379 7.8827 118.3215 64.7237 37.1944 178.6579 105 I 3.7069 7.9036 119.3166 64.0977 37.7691 178.0214 106 T 3.8366 7.9439 116.5933 66.5169 68.2955 176.3956 107 A 4.0031 8.0972 122.5472 55.1784 18.3513 179.6619 108 I 3.6338 8.0092 118.5736 64.7493 36.9972 178.9341 109 R 3.9028 8.0231 117.3582 59.1260 29.9306 178.6917 110 A 4.1380 7.8966 119.7303 55.0965 18.6891 178.9274 111 D 4.4705 8.1170 116.5484 57.4372 41.2247 178.9714 112 E 3.9968 8.2077 115.4819 57.2846 29.3208 178.5768 *114 A 4.2894 7.9457 124.3929 52.2754 20.8417 180.1229 115 K 4.0662 8.2447 115.2699 59.5983 31.9584 179.5885 116 L 4.0925 8.3607 119.4038 57.7358 41.5634 179.4837 117 A 4.0323 8.0211 120.3814 54.8822 18.1716 179.1200 118 L 3.9055 7.8008 118.0463 58.2994 42.4622 178.7222 119 F 4.3032 8.3606 120.3976 61.6363 39.3827 177.3560 120 S 4.2936 8.6213 114.7570 61.4574 62.3394 176.3511 121 E 4.0811 8.0266 120.6195 58.9189 29.2287 178.6939 122 G 3.4310 7.6386 103.5324 44.5542 0.0000 173.1970 123 F 4.7995 7.3595 118.6074 54.5245 43.4744 175.2020 124 S 4.5042 9.0780 118.2948 58.0334 65.0414 175.6740 125 S 4.2441 8.5950 118.1081 61.3956 62.6831 176.9970 126 V 3.6260 7.7804 122.5691 64.7437 31.1676 177.9836 127 E 4.0095 8.2868 119.4047 59.2505 29.3548 179.4707 128 L 4.0651 7.9419 118.5014 58.0052 41.5558 179.7329 129 T 3.9155 8.3499 115.8573 66.4552 68.2950 176.5116 130 A 3.9912 8.2800 122.8682 55.2751 18.3982 178.8376 131 Y 4.0241 8.2202 118.0929 61.2183 38.7828 177.9165 132 H 3.9542 8.4685 118.9282 59.0882 29.9256 176.9893 133 K 3.8376 8.2955 121.5885 59.6039 32.0650 178.9626 134 V 3.4538 7.9225 118.6898 65.7428 31.4358 177.3929 135 Q 3.7069 7.9681 119.8079 59.4830 28.7677 178.8915 136 L 3.9289 7.9133 119.5123 57.5316 41.5175 179.3770 137 A 3.9591 8.1193 120.9445 55.0583 18.2715 179.6252 138 L 3.7889 8.4269 117.7854 58.1642 41.7222 179.6773 139 T 3.9851 7.9084 115.6502 66.8015 68.3950 176.4181 140 R 3.8726 7.9140 120.2338 59.3760 30.1320 178.1531 141 F 3.9884 8.3601 120.5829 61.5201 39.2713 177.1818 142 F 4.2598 8.2995 117.1216 60.1764 38.6834 177.4452 143 A 4.0100 8.1540 120.6108 55.5006 18.0897 179.4917 144 D 4.2343 8.1907 117.2197 57.3852 40.8675 178.9459 145 L 3.7969 7.6552 119.2548 57.7666 41.3848 179.5004 146 A 4.0158 8.0156 119.7364 55.1323 18.3820 179.5470 147 K 4.1115 8.1077 116.0900 58.5054 32.2754 178.4156 148 E 4.6072 8.3043 115.8903 55.6496 31.4584 175.8656 149 A 4.2695 8.4039 126.5531 52.1470 19.3437 175.5159 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 8.56 4.89 0.00 3.85 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 -1 N 8.14 4.90 0.00 2.90 2.80 0.00 0.00 6.24 6.38 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 A 8.96 4.21 1.31 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 0.00 0.00 0 T 8.87 4.24 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 3 H 8.33 4.29 0.00 3.26 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.12 3.90 0.00 2.04 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 2.42 2.40 0.00 5 T 7.82 4.02 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 1.20 0.00 0.00 6 D 8.02 4.41 0.00 2.96 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 7 Q 8.13 3.95 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 8 L 8.08 3.98 0.00 1.89 1.69 0.93 0.66 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 9 Y 8.52 4.25 0.00 3.12 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 10 Q 8.28 4.08 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 11 A 8.06 4.13 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 12 V 8.28 3.55 2.20 0.00 0.00 0.00 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 1.15 0.00 0.00 13 Q 8.30 3.82 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 1.86 1.23 0.00 14 A 7.76 4.21 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 15 T 7.74 3.79 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 1.18 0.00 0.00 16 R 7.81 3.82 0.00 1.82 1.86 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 17 P 0.00 4.24 0.00 2.28 2.27 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 18 L 8.24 3.87 0.00 1.83 1.94 0.85 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.02 3.92 0.00 1.86 1.75 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.83 3.87 0.00 1.92 2.16 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 21 N 8.45 4.32 0.00 2.89 2.82 0.00 0.00 7.10 7.48 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 22 I 8.14 3.62 2.00 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 1.46 0.63 0.89 0.00 0.00 23 T 7.96 3.81 4.39 0.00 0.00 0.00 0.00 0.00 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 24 A 8.15 3.98 1.31 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 0.00 0.00 25 A 8.47 3.93 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 26 V 8.22 3.55 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 1.11 0.00 0.00 0.94 0.00 0.00 27 E 8.20 4.07 0.00 2.15 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 0.00 2.31 2.22 0.00 28 R 7.61 4.01 0.00 1.99 1.99 0.00 3.38 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.80 0.00 29 G 7.82 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.20 4.02 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 1.26 0.00 0.00 31 L 8.27 4.12 0.00 1.71 1.76 0.92 1.07 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 32 R 7.48 3.93 0.00 2.09 2.00 0.00 3.15 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 33 E 8.12 4.37 0.00 1.95 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 2.25 2.24 0.00 34 G 8.31 3.92 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 0.00 0.00 0.00 35 V 7.70 4.63 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 0.76 0.00 0.00 0.99 0.00 0.00 36 T 8.49 4.40 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 1.21 0.00 0.00 37 V 8.22 3.67 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 1.05 0.00 0.00 0.99 0.00 0.00 38 G 7.98 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 0.00 0.00 0.00 39 Q 8.02 3.94 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 40 R 8.21 3.85 0.00 1.93 2.17 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 41 A 8.01 4.01 1.43 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 0.00 0.00 42 I 7.58 3.63 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.37 0.81 0.00 0.00 43 L 8.13 3.97 0.00 1.80 1.72 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.67 4.00 0.00 2.01 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 0.00 2.31 2.33 0.00 45 G 8.26 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 46 L 8.14 3.97 0.00 1.70 1.70 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.03 4.21 0.00 3.97 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 48 L 7.81 4.34 0.00 1.81 1.70 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.96 4.50 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 1.18 0.00 0.00 50 P 0.00 4.04 0.00 2.09 2.11 0.00 3.73 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 51 G 7.24 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 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.05 4.15 1.17 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 53 T 8.85 5.25 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 1.27 0.00 0.00 54 A 8.61 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.21 0.00 2.18 2.12 0.00 3.64 0.00 0.00 3.82 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 56 Q 8.14 3.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 57 L 8.23 4.04 0.00 1.81 1.69 0.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.38 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.97 4.00 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 60 A 8.08 4.08 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 61 L 8.23 4.41 0.00 1.68 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.37 3.18 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.48 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 *64 K 7.81 4.17 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 65 R 8.39 3.98 0.00 2.05 2.21 0.00 2.99 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 66 Q 8.08 3.94 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 67 Y 7.97 3.95 0.00 3.12 3.11 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 68 I 7.86 3.68 2.00 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 1.78 0.75 0.84 0.00 0.00 69 S 8.33 4.07 0.00 4.04 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 70 R 7.83 3.79 0.00 1.81 1.95 0.00 3.03 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 1.42 1.57 0.00 71 I 7.38 3.56 1.62 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.19 0.83 0.00 0.00 72 L 8.06 3.77 0.00 1.43 1.35 0.46 0.29 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 73 Q 7.78 3.98 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 74 E 7.89 3.91 0.00 2.11 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 2.28 2.46 0.00 75 V 7.89 3.70 2.06 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 0.73 0.00 0.00 0.95 0.00 0.00 76 Q 8.15 4.11 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 77 R 8.05 3.89 0.00 1.92 2.14 0.00 3.30 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 78 A 7.77 4.34 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 79 G 7.96 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 0.00 0.00 0.00 80 L 8.33 4.70 0.00 1.67 1.72 0.92 0.54 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 81 I 7.74 5.39 2.08 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.93 0.00 0.00 82 E 9.48 4.93 0.00 2.04 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 0.00 2.50 2.34 0.00 83 R 8.69 4.88 0.00 1.82 1.84 0.00 3.00 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.08 0.00 84 R 8.89 4.85 0.00 1.74 1.60 0.00 2.21 0.00 0.00 2.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 85 T 8.45 4.05 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 86 N 8.43 4.83 0.00 2.85 2.87 0.00 0.00 6.83 7.71 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 87 P 0.00 4.51 0.00 2.22 2.16 0.00 3.85 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 2.00 1.99 0.00 88 E 8.18 4.10 0.00 2.01 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 2.33 2.32 0.00 89 H 7.82 4.63 0.00 3.07 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.45 4.34 1.27 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 0.00 0.00 91 R 7.74 3.92 0.00 1.58 1.76 0.00 3.22 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 92 S 7.69 4.48 0.00 4.23 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 93 H 7.83 4.35 0.00 2.98 2.95 0.00 5.56 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 94 R 8.11 4.92 0.00 1.84 1.62 0.00 3.17 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 95 Y 8.43 5.43 0.00 2.85 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 96 W 9.39 5.31 0.00 3.25 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 97 L 8.85 4.68 0.00 1.62 1.67 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.70 4.36 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 1.32 0.00 0.00 99 P 0.00 4.29 0.00 2.19 2.17 0.00 3.62 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 2.12 2.17 0.00 100 R 8.05 3.97 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 101 G 8.01 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 0.00 102 E 8.69 3.96 0.00 2.17 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 0.00 2.33 2.36 0.00 103 A 8.22 3.99 1.38 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 0.00 0.00 104 I 7.88 3.64 2.01 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 1.41 0.77 0.92 0.00 0.00 105 I 7.90 3.71 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 1.53 1.45 1.01 0.00 0.00 106 T 7.94 3.84 4.41 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 1.22 0.00 0.00 107 A 8.10 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.01 3.63 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.93 0.00 0.00 109 R 8.02 3.90 0.00 1.82 2.00 0.00 3.53 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 110 A 7.90 4.14 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 0.00 111 D 8.12 4.47 0.00 2.83 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 0.00 112 E 8.21 4.00 0.00 2.18 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 2.51 0.00 *114 A 7.95 4.29 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 0.00 115 K 8.24 4.07 0.00 1.97 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.60 7.81 116 L 8.36 4.09 0.00 1.71 1.77 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.02 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 0.00 118 L 7.80 3.91 0.00 1.92 2.00 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.36 4.30 0.00 3.24 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 0.00 120 S 8.62 4.29 0.00 4.11 3.99 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 0.00 121 E 8.03 4.08 0.00 2.14 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 2.34 2.55 0.00 122 G 7.64 3.43 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 0.00 0.00 0.00 123 F 7.36 4.80 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 0.00 124 S 9.08 4.50 0.00 4.07 4.01 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 0.00 125 S 8.60 4.24 0.00 4.10 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.78 3.63 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 0.84 0.00 0.00 0.96 0.00 0.00 127 E 8.29 4.01 0.00 2.37 2.16 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 2.43 2.44 0.00 128 L 7.94 4.07 0.00 1.79 1.79 1.01 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.35 3.92 4.45 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 1.24 0.00 0.00 130 A 8.28 3.99 1.42 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 0.00 0.00 131 Y 8.22 4.02 0.00 3.03 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 0.00 132 H 8.47 3.95 0.00 3.29 3.46 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.30 3.84 0.00 1.98 1.92 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 134 V 7.92 3.45 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 0.86 0.00 0.00 0.89 0.00 0.00 135 Q 7.97 3.71 0.00 1.43 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 136 L 7.91 3.93 0.00 1.60 1.62 0.84 0.90 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 0.00 137 A 8.12 3.96 1.31 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 0.00 0.00 138 L 8.43 3.79 0.00 1.89 1.90 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 139 T 7.91 3.99 4.40 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 1.23 0.00 0.00 140 R 7.91 3.87 0.00 2.19 2.04 0.00 3.14 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 141 F 8.36 3.99 0.00 3.05 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 0.00 142 F 8.30 4.26 0.00 3.18 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 0.00 143 A 8.15 4.01 1.42 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 0.00 0.00 144 D 8.19 4.23 0.00 2.66 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 0.00 145 L 7.66 3.80 0.00 1.76 1.64 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.02 4.02 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 0.00 147 K 8.11 4.11 0.00 1.81 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.60 7.81 148 E 8.30 4.61 0.00 1.93 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 2.19 2.24 0.00 149 A 8.40 4.27 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 * Residues marked with a * may have inaccurate shift predictions.