NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3206 8.4449 120.2199 55.7586 30.9520 175.0035 3 E 4.0535 8.4076 120.2227 56.0248 30.1808 173.9212 4 E 4.4994 8.6605 123.0406 56.1850 31.8032 175.2742 5 I 4.9219 8.1635 114.7064 59.0395 40.7485 176.3472 6 V 3.5754 9.0065 125.2674 66.3196 31.5411 178.0473 7 K 3.8223 8.1029 119.1470 59.7791 31.8446 177.2092 8 E 4.0838 8.1463 115.3458 57.7609 30.1763 176.2364 9 Y 4.4375 7.8570 116.0967 56.2285 38.2760 175.7608 *11 K 3.9537 7.5813 120.8473 56.4637 33.6197 175.2143 12 T 4.7762 8.3169 116.5051 60.8635 71.2168 173.4209 13 Q 3.4316 8.3687 116.6169 57.2041 26.0070 174.5635 14 V 4.0240 7.5955 108.9114 60.9982 33.2743 175.8443 15 I 4.5757 8.0301 122.3512 60.0790 38.8735 175.1057 16 S 5.2845 8.5738 119.9047 56.8814 66.4562 173.3839 17 V 4.7065 8.5828 113.1283 59.5795 36.0482 175.5604 18 T 4.7043 8.4022 113.1976 61.1270 70.0454 175.6220 19 K 4.0071 8.8442 122.2658 58.9446 32.6206 177.8421 20 D 4.9827 7.3582 117.4950 52.7179 39.8083 176.2683 21 A 4.1386 7.8675 123.8523 52.4654 19.1195 177.7709 22 K 4.7573 8.3935 120.6471 55.3512 34.5025 177.9621 23 L 4.1440 8.7031 125.3221 58.7767 41.9689 179.5639 24 N 4.3375 8.2577 116.5515 56.1762 37.1446 176.8945 25 D 4.3951 8.0709 120.6920 57.0447 40.7719 178.6036 26 I 3.7418 7.8865 119.5314 64.3655 37.2226 178.0042 27 A 4.1565 8.1859 120.8554 54.9790 18.3616 179.2766 28 K 4.0974 8.0610 118.3216 59.4488 32.1306 179.5141 29 V 3.8599 7.5781 115.0732 64.0283 30.6813 177.5314 *31 T 4.2786 7.8217 115.3340 63.2939 70.1321 176.2375 32 E 4.0463 8.4163 119.3491 58.4840 29.5675 177.8906 33 K 4.1879 8.3041 116.4507 55.4596 33.3174 175.5271 34 N 4.1407 7.5197 116.7523 54.7558 37.3924 172.7070 35 I 4.6614 7.3019 110.0257 59.3139 41.3799 176.0162 36 G 3.9591 8.2450 108.8246 45.1858 0.0000 172.9656 37 S 5.0553 7.1837 111.8781 58.1369 65.2887 175.6461 38 V 4.6881 8.2672 113.0641 59.8097 36.3901 174.6201 39 I 4.4907 8.4093 123.8696 60.7616 38.9002 175.0195 40 V 4.5620 8.4592 126.8178 61.7416 33.1101 175.1342 41 V 4.8777 8.7770 120.7161 59.5684 35.8000 174.4336 42 D 4.4472 9.1042 122.7819 52.0833 43.0421 176.0895 43 G 3.8317 9.2733 118.0418 46.7405 0.0000 172.6978 44 N 4.4701 8.0002 113.4020 53.0371 37.6959 174.5945 45 K 4.8430 7.5321 118.7985 53.6735 33.5679 174.2305 46 P 4.6713 0.0000 0.0000 63.1969 31.7190 176.4799 47 V 4.3117 9.3615 114.9936 60.0427 33.5706 175.7345 48 G 4.1224 7.0649 106.5656 46.0502 0.0000 171.0183 49 I 4.9352 8.0293 118.2526 59.5673 41.6355 175.2081 50 I 4.7148 8.6657 128.8184 59.8203 40.2128 175.2133 51 T 4.8811 8.8491 117.3252 59.8313 71.6161 175.5438 52 E 4.0069 8.6292 120.7736 59.6731 29.2933 179.8358 53 R 3.9434 7.9654 118.1982 59.4929 30.2271 178.1307 54 D 4.5351 8.0947 118.7153 57.3096 40.7691 178.9059 55 I 3.6990 7.8339 120.0447 64.4559 37.1381 178.6232 56 V 3.5661 7.8763 119.0751 65.7401 31.1980 177.9200 57 K 3.8926 8.5788 119.5895 59.5309 32.1161 178.6254 58 A 3.9669 8.0017 120.9935 55.1827 18.1233 179.7462 59 I 3.6984 7.7365 118.4913 64.3901 37.0299 178.7986 60 G 3.7235 8.3394 105.2065 46.5435 0.0000 174.6810 61 K 4.5230 7.4096 119.0909 55.7177 32.4276 177.1073 62 G 3.9045 8.1362 107.1896 45.5731 0.0000 174.5921 63 K 4.0667 7.7384 119.0146 55.9557 32.7323 177.2702 64 S 4.5150 8.2071 116.9376 57.1449 64.6419 174.9149 65 L 4.0732 8.2492 119.0533 56.9738 41.3945 178.5601 66 E 4.4037 7.6463 116.7831 56.3327 30.0568 176.6918 67 T 3.9228 7.5645 117.1180 63.8026 69.2049 173.9934 68 K 4.6261 8.8186 125.0783 55.9525 33.2007 177.7548 69 A 3.5641 9.0032 126.4548 55.3631 18.2316 180.2102 70 E 3.9879 8.0380 111.8110 58.8593 29.5383 177.9744 71 E 4.2685 8.0515 118.4034 57.8529 30.3944 176.7122 72 F 4.7875 7.5587 112.9292 55.2447 37.7559 174.8543 *74 T 4.1311 7.5451 117.4521 63.7079 70.3524 174.8039 75 A 4.5538 8.6159 128.9258 52.1074 19.3179 176.5395 76 S 4.3824 8.2269 112.7332 57.7711 65.9078 175.4252 77 L 4.5539 8.5643 125.2403 54.2616 42.6024 176.4676 78 I 3.6179 7.0767 120.9549 61.4460 37.0976 175.2986 79 T 4.9010 7.9791 114.3148 60.2744 72.4869 172.6959 80 I 4.6963 8.2426 120.5922 59.1028 41.7394 174.6983 81 R 4.7621 8.5887 127.4997 55.9230 30.9566 177.7010 82 E 4.0421 9.0119 120.4306 59.1895 29.8033 178.2621 83 D 4.6562 7.9518 117.0333 54.9241 41.6097 176.7351 84 S 4.3480 7.8473 116.9481 57.5702 63.7118 172.2860 85 P 4.8068 0.0000 0.0000 62.2458 32.2313 177.4464 86 I 3.7001 8.8022 123.4803 65.1691 37.0407 179.0466 87 T 4.0676 8.0064 109.5036 64.3208 68.5198 176.6029 88 G 3.5475 8.1255 108.9549 47.7484 0.0000 175.5853 89 A 4.0409 7.9128 121.8699 54.6193 18.5022 178.9470 90 L 4.0252 7.6501 117.7461 58.3624 42.5209 178.8006 91 A 4.1917 8.4308 121.1189 54.8104 18.2932 179.0814 92 L 4.2104 7.7971 117.3584 55.7608 42.2833 179.0679 *94 R 4.2090 7.9312 117.1623 55.8305 32.0004 177.5285 95 Q 3.7547 7.9932 117.1348 58.7557 28.8796 177.3141 96 F 4.5220 8.0708 112.8079 56.1245 39.6414 175.1198 97 N 4.1849 7.8574 118.6650 54.7032 37.5615 173.7118 98 I 4.7503 7.3210 108.5874 59.3391 41.2607 175.6927 99 R 4.3525 8.4687 119.7143 57.5677 31.3254 175.6635 100 H 5.4817 8.0909 114.4423 53.9899 33.2170 172.8927 101 L 4.7690 8.8074 120.2408 52.4621 46.0385 174.3855 102 P 4.8049 0.0000 0.0000 62.6165 32.9985 175.2143 103 V 4.8450 9.0360 123.1497 61.3049 34.1864 174.9303 104 V 5.0484 8.4996 119.9718 59.5793 35.9914 174.7749 105 D 4.9826 8.5401 122.4183 52.0232 41.5306 176.8802 106 D 4.3170 8.8388 117.1160 56.0842 39.1302 177.2301 107 K 4.1996 8.2332 116.9262 56.2538 32.4612 177.2589 108 G 3.9633 8.4273 108.3644 45.0488 0.0000 173.6799 109 N 4.7369 8.3183 118.0635 52.0803 39.3450 174.5243 110 L 4.4455 8.7100 125.0435 55.5484 42.5464 176.9552 111 K 4.4861 9.0065 123.9069 56.1751 34.9037 176.0861 112 G 3.9956 7.0259 104.1156 45.6413 0.0000 170.9388 113 I 5.0530 8.4625 119.4837 59.5209 40.9000 175.0522 114 I 4.8304 8.7185 126.7620 59.1605 40.8944 174.3482 115 S 5.1907 9.4316 123.1106 55.9612 66.3033 174.8041 116 I 3.6464 8.3926 120.2094 64.4892 37.5353 178.3253 117 R 4.0111 7.6836 117.5513 59.0777 29.8384 178.6506 118 D 4.4664 8.1966 118.9899 57.2107 40.7538 178.8665 119 I 3.5832 7.5469 120.1921 64.6068 37.1715 178.4791 120 T 3.9191 7.7705 110.1468 64.6227 68.5129 176.6033 121 R 3.8745 8.0148 121.4899 59.1999 29.8920 178.3442 122 A 3.5691 7.5454 119.7592 54.7425 18.2018 179.5250 123 I 3.9058 7.3556 117.6123 64.7395 37.3442 177.8803 124 D 4.6896 8.1507 118.5634 57.5382 40.6894 179.2379 125 D 4.4227 8.1227 115.0464 55.3047 40.9644 176.6864 *127 F 4.5024 8.0433 124.0477 57.8860 39.4106 174.9269 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 E 8.44 4.32 0.00 1.96 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 2.20 2.33 0.00 3 E 8.41 4.05 0.00 1.94 1.88 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 2.31 2.40 0.00 4 E 8.66 4.50 0.00 1.83 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 2.36 2.15 0.00 5 I 8.16 4.92 2.00 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 0.86 0.94 0.00 0.00 6 V 9.01 3.58 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 1.01 0.00 0.00 1.03 0.00 0.00 7 K 8.10 3.82 0.00 1.97 1.88 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 8 E 8.15 4.08 0.00 2.14 1.67 0.00 0.00 0.00 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 2.40 0.00 9 Y 7.86 4.44 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 *11 K 7.58 3.95 0.00 1.83 1.89 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 T 8.32 4.78 4.23 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 0.00 0.00 1.20 0.00 0.00 13 Q 8.37 3.43 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 14 V 7.60 4.02 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 0.75 0.00 0.00 0.92 0.00 0.00 15 I 8.03 4.58 1.87 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 1.40 1.26 0.91 0.00 0.00 16 S 8.57 5.28 0.00 3.88 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 17 V 8.58 4.71 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 0.78 0.00 0.00 0.89 0.00 0.00 18 T 8.40 4.70 4.23 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 0.00 0.00 1.20 0.00 0.00 19 K 8.84 4.01 0.00 1.94 2.07 0.00 1.43 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.37 7.81 20 D 7.36 4.98 0.00 2.72 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 21 A 7.87 4.14 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 22 K 8.39 4.76 0.00 2.03 2.00 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.51 7.81 23 L 8.70 4.14 0.00 1.65 1.77 0.29 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.26 4.34 0.00 2.97 3.05 0.00 0.00 7.09 7.38 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 25 D 8.07 4.40 0.00 2.86 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 26 I 7.89 3.74 2.16 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 1.49 0.69 0.97 0.00 0.00 27 A 8.19 4.16 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 28 K 8.06 4.10 0.00 1.98 2.03 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.45 7.81 29 V 7.58 3.86 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 1.07 0.00 0.00 1.01 0.00 0.00 *31 T 7.82 4.28 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 1.21 0.00 0.00 32 E 8.42 4.05 0.00 2.01 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 2.38 0.00 33 K 8.30 4.19 0.00 1.81 1.84 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.50 7.81 34 N 7.52 4.14 0.00 2.80 2.81 0.00 0.00 6.91 7.61 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 35 I 7.30 4.66 1.87 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 1.35 0.85 0.94 0.00 0.00 36 G 8.25 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 0.00 0.00 0.00 37 S 7.18 5.06 0.00 3.87 3.77 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 38 V 8.27 4.69 2.14 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 0.74 0.00 0.00 0.91 0.00 0.00 39 I 8.41 4.49 1.85 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 1.09 0.88 0.88 0.00 0.00 40 V 8.46 4.56 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 0.76 0.00 0.00 0.79 0.00 0.00 41 V 8.78 4.88 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 0.64 0.00 0.00 0.91 0.00 0.00 42 D 9.10 4.45 0.00 2.60 2.50 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 43 G 9.27 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 44 N 8.00 4.47 0.00 3.10 3.01 0.00 0.00 6.90 7.68 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 45 K 7.53 4.84 0.00 1.94 1.70 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.54 7.81 46 P 0.00 4.67 0.00 2.00 1.97 0.00 3.59 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 2.00 2.09 0.00 47 V 9.36 4.31 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 0.78 0.00 0.00 0.92 0.00 0.00 48 G 7.06 4.12 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 0.00 0.00 0.00 49 I 8.03 4.94 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.97 0.88 0.00 0.00 50 I 8.67 4.71 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.41 0.99 0.00 0.00 51 T 8.85 4.88 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 52 E 8.63 4.01 0.00 2.04 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 2.35 2.56 0.00 53 R 7.97 3.94 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 54 D 8.09 4.54 0.00 3.10 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 55 I 7.83 3.70 2.11 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.91 0.88 0.00 0.00 56 V 7.88 3.57 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 1.05 0.00 0.00 0.93 0.00 0.00 57 K 8.58 3.89 0.00 2.04 1.97 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.47 7.81 58 A 8.00 3.97 1.08 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 59 I 7.74 3.70 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.87 0.00 0.00 60 G 8.34 3.72 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 0.00 61 K 7.41 4.52 0.00 1.81 1.82 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.73 1.58 7.81 62 G 8.14 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 0.00 0.00 0.00 63 K 7.74 4.07 0.00 1.69 1.64 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 64 S 8.21 4.52 0.00 3.97 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 65 L 8.25 4.07 0.00 1.71 1.73 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.65 4.40 0.00 1.88 1.99 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 2.30 2.31 0.00 67 T 7.56 3.92 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 1.30 0.00 0.00 68 K 8.82 4.63 0.00 1.99 1.91 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.42 7.81 69 A 9.00 3.56 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 70 E 8.04 3.99 0.00 2.05 2.13 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 2.38 2.29 0.00 71 E 8.05 4.27 0.00 2.30 2.15 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 2.38 2.30 0.00 72 F 7.56 4.79 0.00 3.09 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 *74 T 7.55 4.13 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 1.20 0.00 0.00 75 A 8.62 4.55 1.19 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 0.00 0.00 76 S 8.23 4.38 0.00 3.80 3.63 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 77 L 8.56 4.55 0.00 1.57 1.58 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 78 I 7.08 3.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.00 0.38 0.00 0.00 79 T 7.98 4.90 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 1.23 0.00 0.00 80 I 8.24 4.70 1.88 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 1.24 1.34 0.97 0.00 0.00 81 R 8.59 4.76 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 82 E 9.01 4.04 0.00 2.17 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 2.45 2.29 0.00 83 D 7.95 4.66 0.00 2.70 2.76 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 84 S 7.85 4.35 0.00 3.98 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 85 P 0.00 4.81 0.00 2.18 2.06 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 86 I 8.80 3.70 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.66 0.81 0.00 0.00 87 T 8.01 4.07 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 88 G 8.13 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 0.00 0.00 0.00 0.00 89 A 7.91 4.04 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 90 L 7.65 4.03 0.00 1.65 1.84 0.91 1.12 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 91 A 8.43 4.19 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 92 L 7.80 4.21 0.00 2.03 1.80 1.13 1.00 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 *94 R 7.93 4.21 0.00 2.07 1.98 0.00 3.19 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 95 Q 7.99 3.75 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.03 0.00 0.00 0.00 0.00 0.00 1.42 2.02 0.00 96 F 8.07 4.52 0.00 3.24 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 97 N 7.86 4.18 0.00 2.79 2.83 0.00 0.00 6.84 8.11 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 98 I 7.32 4.75 1.91 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 1.54 0.90 1.06 0.00 0.00 99 R 8.47 4.35 0.00 1.75 1.85 0.00 3.09 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 100 H 8.09 5.48 0.00 2.95 3.16 0.00 5.84 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 0.00 101 L 8.81 4.77 0.00 1.55 1.50 0.98 0.90 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 0.00 102 P 0.00 4.80 0.00 2.04 1.94 0.00 3.70 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 2.07 2.06 0.00 103 V 9.04 4.85 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 0.95 0.00 0.00 1.01 0.00 0.00 104 V 8.50 5.05 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 0.72 0.00 0.00 0.92 0.00 0.00 105 D 8.54 4.98 0.00 2.75 2.82 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 D 8.84 4.32 0.00 2.80 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 0.00 107 K 8.23 4.20 0.00 1.89 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.36 7.81 108 G 8.43 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 0.00 0.00 0.00 109 N 8.32 4.74 0.00 3.08 2.73 0.00 0.00 6.58 6.08 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 0.00 110 L 8.71 4.45 0.00 1.62 1.57 0.99 0.58 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 0.00 111 K 9.01 4.49 0.00 1.68 1.78 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.60 7.81 112 G 7.03 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 0.00 113 I 8.46 5.05 1.89 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 1.11 0.98 0.95 0.00 0.00 114 I 8.72 4.83 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.96 0.00 0.00 115 S 9.43 5.19 0.00 3.79 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 0.00 116 I 8.39 3.65 1.84 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 1.51 1.17 0.87 0.00 0.00 117 R 7.68 4.01 0.00 1.94 1.98 0.00 3.35 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 118 D 8.20 4.47 0.00 2.93 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 0.00 119 I 7.55 3.58 2.03 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 1.65 0.77 0.87 0.00 0.00 120 T 7.77 3.92 4.23 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 0.00 0.00 1.20 0.00 0.00 121 R 8.01 3.87 0.00 2.05 2.21 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 122 A 7.55 3.57 0.32 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 0.00 123 I 7.36 3.91 2.05 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 1.79 0.85 1.02 0.00 0.00 124 D 8.15 4.69 0.00 2.87 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 0.00 125 D 8.12 4.42 0.00 2.89 2.82 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 *127 F 8.04 4.50 0.00 3.22 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 * Residues marked with a * may have inaccurate shift predictions.