NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.1613 8.0549 117.9090 59.6502 33.6040 175.4187 4 K 4.1919 7.6603 117.8488 55.6415 36.0655 174.5035 5 A 4.3173 8.7489 126.7507 51.5670 20.4554 176.0723 6 V 4.3335 8.0952 119.1143 61.0376 33.0695 176.1357 7 G 4.0821 8.4775 115.4695 45.8460 0.0000 171.3533 8 R 5.3999 8.5368 118.9113 54.4488 33.4238 175.7463 9 V 4.5668 8.8616 124.1279 59.9265 34.9437 174.3548 10 C 4.7590 8.7898 121.8307 56.6830 41.4902 173.6076 11 Y 3.9657 8.9313 126.5650 60.8945 38.3344 178.9615 12 S 4.0435 8.0081 111.9871 60.4511 63.0749 174.5879 13 A 4.3696 8.1970 122.6920 51.9105 19.1047 177.1024 14 L 4.0287 7.1413 116.3087 52.9674 42.7864 175.3336 15 P 4.3328 0.0000 0.0000 62.1204 32.1412 177.9276 16 S 4.0000 8.5014 115.9870 61.8045 62.6709 176.6930 17 Q 4.1277 8.1109 120.8499 58.8455 28.4543 178.6180 18 A 4.0405 7.9340 121.7960 55.2069 18.3373 179.3918 19 H 4.3018 7.8611 114.3763 59.1404 28.8077 177.2624 20 D 4.4374 8.3288 120.7975 57.9249 40.2406 179.0236 21 T 4.0112 8.2190 116.1030 66.9470 68.5134 176.5714 22 L 4.1241 8.1930 120.6025 57.8495 41.6433 179.3172 23 D 4.3399 8.3342 118.8387 57.4516 40.7899 178.9004 24 L 3.9051 8.1618 119.5096 57.7698 41.3518 179.6163 25 I 3.8520 7.7698 118.9928 64.4479 37.0611 177.6330 26 D 4.3187 7.8670 117.9601 57.1640 41.0977 177.6497 27 E 4.2236 8.0019 117.7898 56.8331 29.6710 177.6976 28 G 3.8543 7.1718 106.6326 45.1722 0.0000 172.0038 29 G 2.8329 7.3442 104.6187 42.1059 0.0000 172.0475 30 P 4.3231 0.0000 0.0000 62.0453 32.2557 175.4725 31 F 5.1016 8.2672 118.6185 55.1605 41.2395 174.4492 32 P 4.3045 0.0000 0.0000 64.6640 31.9101 175.9552 33 Y 4.8665 8.0267 115.9978 55.5917 41.0439 176.7810 34 S 4.2639 8.8740 116.9666 61.5144 63.4987 175.4072 35 Q 4.1860 8.1291 118.1430 56.7671 28.9407 175.1777 36 D 4.4436 7.8085 119.8723 55.6355 40.8685 176.7028 37 G 3.5815 7.8393 113.8667 44.6757 0.0000 173.8266 38 V 3.9648 7.3457 113.3342 60.6250 33.0935 175.8447 39 V 3.9471 8.2914 122.7208 63.1995 32.1458 174.7759 40 F 4.8275 8.7731 130.6249 56.9197 39.8981 175.7907 41 Q 3.8923 8.1905 124.5983 56.1297 29.3741 175.1477 42 N 3.5596 5.7700 115.4796 53.9787 37.3362 176.0751 43 R 3.8457 7.6195 116.5294 58.7087 30.3909 177.8292 44 E 4.1455 8.0439 114.7567 56.0367 29.9233 176.8952 45 G 3.8989 7.9608 106.8160 46.1828 0.0000 175.1150 46 L 4.1063 7.9814 121.4757 56.7018 41.9308 177.5631 47 L 4.2089 7.3822 117.1890 52.0298 43.0261 174.6072 48 P 4.1440 0.0000 0.0000 62.5545 31.6959 176.4662 49 A 3.9725 8.4469 125.4898 52.9395 18.4716 176.3336 50 H 4.7977 8.2849 118.7929 53.7438 33.4537 173.3033 51 S 4.3312 8.2593 115.8012 58.5716 63.2254 174.4306 52 T 4.1078 8.1810 119.7806 65.2736 68.5803 174.9481 53 G 4.0539 8.9408 113.8186 45.5672 0.0000 174.0696 54 Y 3.9345 8.1329 120.8226 59.7783 39.1342 174.8910 55 Y 5.9156 7.7785 116.1923 55.8618 41.0513 174.7795 56 H 5.5519 8.8228 116.7857 53.9474 33.3847 172.1887 57 E 5.2393 8.9012 118.8497 54.9515 32.5926 174.4847 58 Y 5.1303 8.9618 118.6044 56.4578 42.4900 174.9106 59 T 4.3272 9.4495 120.9748 63.6659 69.4979 174.0962 60 V 4.5471 8.0771 125.7055 60.1276 33.0081 175.6771 61 I 3.8930 8.6284 129.3044 61.7809 37.9039 175.5227 62 T 4.4466 8.3272 121.2148 61.1441 69.3620 172.6766 63 P 4.3712 0.0000 0.0000 64.0912 31.7272 176.8642 64 G 3.8971 8.9334 110.2673 45.6542 0.0000 172.7052 65 S 4.6752 7.6570 113.8302 56.0513 63.5336 172.1920 66 P 4.6107 0.0000 0.0000 63.1364 31.8083 174.7191 67 T 4.7257 7.1392 108.8428 59.5413 71.3869 174.1673 68 R 3.5470 8.3004 119.2996 57.0155 30.3421 178.6920 69 G 3.7442 7.4356 106.2749 44.9031 0.0000 173.1001 70 A 4.5269 8.2038 120.0669 51.5146 21.0746 176.4278 71 R 4.6243 7.7139 115.8636 55.4966 32.0413 175.8208 72 R 5.1593 8.6508 120.8711 55.0417 35.4515 173.7563 73 I 5.1745 8.9367 122.3923 59.9201 39.9124 174.6486 74 I 5.1347 9.2515 128.1070 59.8418 39.6867 174.7563 75 T 5.1681 9.3544 117.3243 60.2705 71.5363 174.1589 76 G 4.3958 8.7721 111.1498 43.6042 0.0000 173.6098 77 Q 3.9141 6.0697 117.8305 58.3311 29.3303 177.9123 78 Q 4.0303 7.9092 118.1989 54.7057 29.5739 175.3555 79 W 5.3866 8.6596 121.1582 59.3032 29.4183 175.6815 80 Q 3.2958 8.9063 119.5423 56.7579 25.9143 173.4342 81 E 4.4396 8.2093 120.3040 55.3811 30.1328 174.5279 82 D 5.3851 8.3287 125.9915 52.6510 45.6639 174.3182 83 Y 5.3623 9.6154 119.3764 56.4695 42.1388 173.6731 84 Y 5.3937 9.4642 124.8853 56.2537 41.4572 174.2153 85 T 4.6221 8.2700 119.9196 59.9196 70.8245 173.7573 86 A 4.6171 8.1702 128.7189 51.7665 19.7667 176.1060 87 D 4.5576 6.9344 116.8586 54.2523 40.1030 174.6244 88 H 3.1869 8.8627 114.8042 58.5917 28.5999 174.1364 89 Y 3.1182 7.2755 111.1258 58.3819 36.0508 171.0486 90 A 4.1777 7.4988 125.3019 54.3217 18.8410 178.6398 91 S 4.6520 7.7772 108.1668 57.0021 66.1079 173.3103 92 F 5.3305 8.4453 118.9130 56.1245 43.0679 174.3108 93 R 5.0347 9.0712 119.3789 54.4192 34.5810 174.6104 94 R 4.5127 9.2530 124.2026 56.1676 31.3789 175.5505 95 V 4.1167 8.6498 127.3249 62.6150 32.5464 174.7677 96 D 4.7613 8.7042 128.1137 52.5814 42.0159 176.7238 97 F 4.1121 8.8933 125.1744 59.5235 39.2573 176.4408 98 A 4.4352 8.1778 122.4364 52.5653 19.0028 174.9474 99 C 4.5177 7.8112 116.9242 55.6446 42.9103 173.8990 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 *3 V 8.05 4.16 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 0.94 0.00 0.00 0.93 0.00 0.00 4 K 7.66 4.19 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.46 7.81 5 A 8.75 4.32 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 6 V 8.10 4.33 2.19 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 1.13 0.00 0.00 0.94 0.00 0.00 7 G 8.48 4.08 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 0.00 8 R 8.54 5.40 0.00 1.82 1.79 0.00 3.33 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 9 V 8.86 4.57 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 0.90 0.00 0.00 10 C 8.79 4.76 0.00 2.99 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 11 Y 8.93 3.97 0.00 2.63 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 12 S 8.01 4.04 0.00 4.09 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 13 A 8.20 4.37 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 14 L 7.14 4.03 0.00 1.29 1.12 0.74 0.06 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 15 P 0.00 4.33 0.00 2.09 1.89 0.00 3.11 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 16 S 8.50 4.00 0.00 4.03 4.08 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 17 Q 8.11 4.13 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.60 2.52 0.00 18 A 7.93 4.04 1.12 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 19 H 7.86 4.30 0.00 3.38 3.38 0.00 5.64 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 20 D 8.33 4.44 0.00 2.92 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 21 T 8.22 4.01 4.50 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 1.45 0.00 0.00 22 L 8.19 4.12 0.00 2.06 1.89 1.30 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.33 4.34 0.00 2.92 2.71 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 0.00 0.00 0.00 0.00 24 L 8.16 3.91 0.00 1.91 1.38 0.97 0.60 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 25 I 7.77 3.85 1.94 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.39 0.76 0.00 0.00 26 D 7.87 4.32 0.00 2.52 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 27 E 8.00 4.22 0.00 2.01 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 2.43 0.00 28 G 7.17 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 29 G 7.34 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 0.00 0.00 0.00 30 P 0.00 4.32 0.00 2.12 1.98 0.00 3.58 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 31 F 8.27 5.10 0.00 3.14 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 32 P 0.00 4.30 0.00 1.71 2.09 0.00 4.18 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 2.32 2.12 0.00 33 Y 8.03 4.87 0.00 3.43 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 34 S 8.87 4.26 0.00 4.03 4.07 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 35 Q 8.13 4.19 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.13 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 36 D 7.81 4.44 0.00 2.82 2.24 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 37 G 7.84 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 3.96 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 0.66 0.00 0.00 0.95 0.00 0.00 39 V 8.29 3.95 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 0.76 0.00 0.00 0.89 0.00 0.00 40 F 8.77 4.83 0.00 2.92 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 41 Q 8.19 3.89 0.00 1.75 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 42 N 5.77 3.56 0.00 2.57 2.63 0.00 0.00 7.23 7.65 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 43 R 7.62 3.85 0.00 1.69 1.89 0.00 3.16 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 44 E 8.04 4.15 0.00 1.99 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 2.28 2.29 0.00 45 G 7.96 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 46 L 7.98 4.11 0.00 1.85 1.91 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.38 4.21 0.00 1.09 0.91 -0.39 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.14 0.00 2.09 1.99 0.00 3.65 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 2.19 2.14 0.00 49 A 8.45 3.97 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 50 H 8.28 4.80 0.00 2.48 2.73 0.00 5.91 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.26 4.33 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 52 T 8.18 4.11 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 53 G 8.94 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 0.00 0.00 0.00 54 Y 8.13 3.93 0.00 3.04 2.54 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 55 Y 7.78 5.92 0.00 3.40 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 56 H 8.82 5.55 0.00 3.25 3.06 0.00 5.76 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.90 5.24 0.00 2.06 2.03 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 2.36 2.18 0.00 58 Y 8.96 5.13 0.00 2.93 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 59 T 9.45 4.33 4.50 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 1.19 0.00 0.00 60 V 8.08 4.55 2.24 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 1.03 0.00 0.00 1.11 0.00 0.00 61 I 8.63 3.89 1.95 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 1.62 0.83 0.98 0.00 0.00 62 T 8.33 4.45 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 63 P 0.00 4.37 0.00 2.04 2.01 0.00 3.74 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 2.03 2.10 0.00 64 G 8.93 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 65 S 7.66 4.68 0.00 3.85 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 66 P 0.00 4.61 0.00 2.23 2.15 0.00 3.75 0.00 0.00 3.71 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 67 T 7.14 4.73 4.19 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 1.20 0.00 0.00 68 R 8.30 3.55 0.00 1.52 1.71 0.00 2.72 0.00 0.00 2.90 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 69 G 7.44 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 70 A 8.20 4.53 1.18 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 0.00 0.00 71 R 7.71 4.62 0.00 2.01 1.92 0.00 3.17 0.00 0.00 3.49 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 72 R 8.65 5.16 0.00 1.62 1.91 0.00 3.29 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.27 0.00 73 I 8.94 5.17 2.12 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 1.12 0.00 0.00 74 I 9.25 5.13 1.96 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.40 0.92 0.00 0.00 75 T 9.35 5.17 4.44 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 1.48 0.00 0.00 76 G 8.77 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 0.00 0.00 0.00 0.00 77 Q 6.07 3.91 0.00 0.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 78 Q 7.91 4.03 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 79 W 8.66 5.39 0.00 3.22 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 80 Q 8.91 3.30 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 1.85 2.09 0.00 81 E 8.21 4.44 0.00 2.23 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 2.27 2.34 0.00 82 D 8.33 5.39 0.00 2.80 2.63 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 83 Y 9.62 5.36 0.00 2.84 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 84 Y 9.46 5.39 0.00 3.01 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 85 T 8.27 4.62 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 0.94 0.00 0.00 86 A 8.17 4.62 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 87 D 6.93 4.56 0.00 2.68 2.67 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 0.00 0.00 0.00 88 H 8.86 3.19 0.00 2.98 3.17 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.28 3.12 0.00 3.17 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 90 A 7.50 4.18 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 91 S 7.78 4.65 0.00 3.90 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 92 F 8.45 5.33 0.00 2.83 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 93 R 9.07 5.03 0.00 1.90 1.88 0.00 3.35 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 94 R 9.25 4.51 0.00 2.05 2.01 0.00 2.93 0.00 0.00 2.66 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 95 V 8.65 4.12 1.72 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 0.08 0.00 0.00 0.93 0.00 0.00 96 D 8.70 4.76 0.00 2.74 2.49 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 97 F 8.89 4.11 0.00 3.07 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 98 A 8.18 4.44 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 99 C 7.81 4.52 0.00 3.07 3.13 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 * Residues marked with a * may have inaccurate shift predictions.