NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 3.9862 8.1727 122.1067 53.6570 34.3579 177.1351 4 L 3.7802 7.7787 120.5419 58.4491 42.0483 173.3941 5 V 3.8304 7.8077 119.2126 65.1784 31.8944 177.0640 6 K 3.8368 7.9082 118.8173 60.0328 32.0179 178.2518 7 Y 4.3812 8.1366 117.0653 61.0258 37.4041 178.1983 8 Q 3.7796 8.4608 119.4888 59.1477 28.8023 179.0071 9 E 3.9548 8.1789 119.4257 59.1716 29.4771 179.4457 10 L 3.9056 7.8993 119.1436 57.7169 41.6959 179.6988 11 V 3.2535 7.6733 118.2133 65.7945 31.3183 178.1288 12 K 3.8809 7.8857 118.2967 59.2749 31.8610 179.2229 13 K 3.8699 8.1448 119.8936 59.2919 32.1333 178.5535 14 L 3.9613 7.9471 120.5413 58.3355 42.0004 179.0007 15 L 4.1520 8.1735 118.9038 58.0913 41.4661 179.5658 16 T 3.8209 8.2099 115.9582 66.6347 68.1470 176.2098 17 N 4.1683 7.9430 117.1617 56.5911 38.7891 176.7547 18 Y 3.7059 7.7317 117.6113 60.8210 37.6807 178.5426 19 A 3.3492 7.7070 121.9527 55.0225 18.2441 179.8651 20 S 4.1055 8.0284 112.6203 60.7361 62.9523 175.2559 21 D 4.7197 7.2458 118.3699 53.0339 41.3147 175.2808 22 D 4.6743 7.3967 119.6492 54.7433 41.3889 175.7554 23 V 4.3119 8.3465 126.1637 61.4596 31.9324 176.0845 24 S 4.1282 8.4679 116.5661 59.6848 63.2365 174.4395 25 D 4.7174 8.4987 123.4312 52.5388 40.1593 176.9977 26 Q 4.0325 8.5570 116.7134 58.7700 28.6127 176.9439 27 D 4.6490 8.5990 117.7918 54.6372 41.3833 175.4967 28 V 4.6805 7.7381 119.9685 60.7446 33.7463 174.6071 29 E 4.2411 9.2330 130.3491 56.0106 30.9277 175.3982 30 V 4.4561 8.4593 127.0172 62.1001 32.4889 174.7354 31 Q 4.8242 8.8174 126.7540 53.9921 31.8777 174.1108 32 L 5.0476 8.6088 124.7568 53.4080 44.3703 175.3186 33 I 4.5360 9.0534 127.1973 59.6028 40.2744 174.6588 34 L 4.9968 8.7256 127.2730 53.1343 44.2199 176.0397 35 D 4.7696 8.6889 126.4998 52.7548 41.7325 176.8041 36 T 4.4893 8.4539 115.2466 61.8862 69.7944 175.7297 37 E 4.2352 8.2984 121.3402 58.2003 30.1225 177.1118 38 R 4.2470 8.3299 114.4549 55.0166 31.5654 175.5386 39 N 3.9815 7.7545 114.9326 54.8708 35.7543 173.1494 40 H 5.4251 7.3941 114.5481 53.0650 32.8497 174.4304 41 Y 5.3140 9.0960 120.1242 56.5915 41.9242 174.4377 42 Q 4.8643 9.6258 122.4987 54.0102 33.7832 173.8559 43 W 5.7032 8.8167 131.0119 54.8638 34.5664 174.0535 *45 N 4.8986 8.4395 120.3694 53.1796 39.9785 173.6759 46 V 4.5906 8.9219 123.2814 61.7180 34.5289 173.7771 47 G 4.4326 8.3932 119.5265 46.1710 0.0000 171.1398 48 W 5.3388 8.9522 122.8571 55.0886 33.4395 174.7677 49 Q 4.5521 8.9097 120.3169 54.7397 31.2002 176.2751 50 G 3.7511 8.3737 114.6857 47.2278 0.0000 173.4008 51 L 4.5954 8.7872 124.2485 54.4257 41.8519 175.4727 52 N 4.7312 8.4419 118.8364 51.9643 39.2830 174.2731 53 R 2.7365 8.2006 124.4805 55.7254 31.0850 175.3740 54 I 4.1890 7.9383 127.9589 59.9593 39.0608 174.6472 55 Y 4.8877 8.2805 129.7268 56.7049 40.3438 173.8010 56 R 4.3893 8.0154 122.6933 54.7496 32.8461 174.1179 57 C 4.1376 8.3126 123.8790 58.8446 32.0043 173.1080 58 V 3.4639 8.4416 127.4459 65.1056 32.1900 175.8071 59 I 4.9983 7.2854 119.6781 59.6104 41.5848 173.7150 60 H 5.3354 8.6954 125.0300 54.4511 33.0887 171.9234 61 F 5.7347 9.6908 124.2038 56.0260 41.9487 174.1102 62 D 5.7344 9.4789 122.3326 52.8292 44.2743 175.1227 63 I 5.2486 8.4594 120.9337 59.7021 40.0667 175.8322 64 K 4.4146 9.0931 125.9623 56.0806 36.0651 176.2689 65 D 4.3897 9.9032 124.7955 55.6104 38.1741 174.6195 66 G 4.0731 8.4637 103.2501 45.5630 0.0000 172.9978 67 K 5.0377 8.1262 118.1571 54.5054 36.7477 175.1308 68 I 4.8636 8.7800 124.0618 60.1235 38.9564 174.7185 69 W 5.1730 9.6959 128.1076 55.0007 31.4027 175.1170 70 L 4.6281 8.9001 128.3186 54.8086 41.9767 176.7197 71 Q 4.5558 9.0743 125.9299 56.5872 31.1707 175.4248 72 Q 4.5241 7.5359 118.3809 55.0947 32.6723 172.9318 73 N 4.5999 8.4592 125.0635 52.9814 40.2428 173.5534 74 L 4.4329 8.8224 126.5481 55.1096 42.4089 177.5572 75 T 4.2392 7.6999 109.5001 61.2035 69.6918 174.1891 76 D 4.6381 8.5477 119.8934 54.6158 40.9037 176.6215 77 R 4.6314 7.8568 119.5781 54.8350 32.6293 176.1681 78 N 4.9927 8.1750 115.4621 50.5397 38.7060 172.5083 79 P 4.8661 0.0000 0.0000 64.7080 31.6947 178.4275 80 A 4.0210 8.0022 120.2840 55.3066 18.1451 179.3393 81 E 4.1137 8.2980 115.6786 59.3161 29.6360 179.1084 82 E 4.1582 8.2084 119.0106 59.4324 29.5531 179.2433 83 L 4.0562 8.1438 119.0464 56.9611 42.5220 177.5183 84 V 5.3858 6.7436 120.0755 62.6211 28.4686 175.7849 *87 G 3.8351 7.8473 107.5482 44.1207 0.0000 170.2288 88 V 3.9463 7.7983 121.6543 60.9008 32.3181 173.8354 89 P 4.6626 0.0000 0.0000 62.4253 32.3435 177.4514 90 R 4.0764 8.7000 119.6545 59.4451 30.2292 178.7658 91 E 4.0831 8.2258 114.9250 58.4647 30.0107 177.5457 92 D 4.9000 8.2548 119.0870 53.9869 41.4060 175.0257 93 I 4.8986 7.6646 121.3476 59.4100 39.9181 174.5977 94 V 4.1180 8.4894 127.0858 60.8878 33.9055 175.1485 95 L 4.5287 8.1687 128.5806 53.4646 39.8042 177.2642 96 G 4.2291 8.5803 110.1884 48.3136 0.0000 171.4526 97 L 4.4308 7.9194 118.1131 56.3926 40.9334 177.0284 98 Q 4.5293 7.7848 120.9516 53.7106 31.2215 174.9069 99 A 4.1258 8.4067 126.7039 52.0440 19.3427 176.5634 100 P 4.2890 0.0000 0.0000 66.0928 31.1934 178.6208 101 Y 4.3206 8.1003 114.5247 59.6653 38.2185 177.8618 102 K 3.9449 7.4956 120.4488 58.8093 32.0159 179.3398 103 R 4.0210 7.7657 118.8893 59.0659 29.7642 178.6116 104 Q 3.9959 7.8198 114.4881 57.9524 28.8239 176.1446 105 Y 4.4627 7.4906 115.6849 58.7987 38.9647 175.8172 106 T 4.1080 7.4619 111.9631 62.3372 69.4121 174.2574 107 D 4.6180 8.3081 117.8328 53.4124 40.2467 173.8344 108 Y 4.9775 7.5412 118.5127 58.0954 40.7141 174.5053 109 G 4.2644 8.7703 109.5693 44.9996 0.0000 172.9837 110 V 4.5127 7.8839 111.7689 58.4799 35.1603 176.4331 111 A 4.4405 8.5527 123.4601 52.9831 18.1634 177.6911 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 K 8.17 3.99 0.00 1.70 1.87 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 4 L 7.78 3.78 0.00 1.82 1.67 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 5 V 7.81 3.83 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 1.20 0.00 0.00 0.92 0.00 0.00 6 K 7.91 3.84 0.00 1.87 1.76 0.00 1.89 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.51 1.11 7.81 7 Y 8.14 4.38 0.00 3.00 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 8 Q 8.46 3.78 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 9 E 8.18 3.95 0.00 2.11 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 2.53 2.48 0.00 10 L 7.90 3.91 0.00 1.65 1.60 0.96 0.84 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 11 V 7.67 3.25 1.68 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 0.75 0.00 0.00 0.49 0.00 0.00 12 K 7.89 3.88 0.00 1.95 1.82 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.29 7.81 13 K 8.14 3.87 0.00 1.89 1.91 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.41 7.81 14 L 7.95 3.96 0.00 1.77 1.70 1.08 0.99 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 15 L 8.17 4.15 0.00 1.84 1.83 1.23 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.21 3.82 4.36 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 1.18 0.00 0.00 17 N 7.94 4.17 0.00 2.73 2.63 0.00 0.00 7.11 7.08 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 18 Y 7.73 3.71 0.00 2.47 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 19 A 7.71 3.35 1.22 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 0.00 0.00 0.00 20 S 8.03 4.11 0.00 3.82 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 21 D 7.25 4.72 0.00 2.62 2.53 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 0.00 22 D 7.40 4.67 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 23 V 8.35 4.31 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 24 S 8.47 4.13 0.00 3.93 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 25 D 8.50 4.72 0.00 2.93 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 26 Q 8.56 4.03 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 27 D 8.60 4.65 0.00 3.00 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 28 V 7.74 4.68 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 0.74 0.00 0.00 0.95 0.00 0.00 29 E 9.23 4.24 0.00 2.14 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 0.00 2.35 2.30 0.00 30 V 8.46 4.46 2.18 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 1.23 0.00 0.00 1.14 0.00 0.00 31 Q 8.82 4.82 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 32 L 8.61 5.05 0.00 1.66 1.59 1.06 1.00 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 33 I 9.05 4.54 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 1.26 0.66 0.90 0.00 0.00 34 L 8.73 5.00 0.00 1.60 1.86 1.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.69 4.77 0.00 2.59 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 36 T 8.45 4.49 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 E 8.30 4.24 0.00 2.32 2.02 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 2.27 1.89 0.00 38 R 8.33 4.25 0.00 1.86 1.79 0.00 3.33 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 39 N 7.75 3.98 0.00 2.92 3.10 0.00 0.00 6.85 8.16 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 40 H 7.39 5.43 0.00 2.87 2.99 0.00 5.57 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 9.10 5.31 0.00 3.14 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 42 Q 9.63 4.86 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 43 W 8.82 5.70 0.00 3.33 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 *45 N 8.44 4.90 0.00 2.55 2.67 0.00 0.00 6.26 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 46 V 8.92 4.59 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 1.19 0.00 0.00 0.80 0.00 0.00 47 G 8.39 4.43 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 48 W 8.95 5.34 0.00 3.28 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.91 4.55 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 50 G 8.37 3.75 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 0.00 0.00 0.00 51 L 8.79 4.60 0.00 1.73 1.82 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.44 4.73 0.00 2.96 2.72 0.00 0.00 6.64 7.22 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 53 R 8.20 2.74 0.00 0.74 1.42 0.00 2.59 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.00 54 I 7.94 4.19 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.80 0.00 0.00 55 Y 8.28 4.89 0.00 2.79 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 56 R 8.02 4.39 0.00 1.60 1.66 0.00 2.92 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.00 57 C 8.31 4.14 0.00 2.83 2.74 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 58 V 8.44 3.46 0.67 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 -0.03 0.00 0.00 0.01 0.00 0.00 59 I 7.29 5.00 1.95 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 1.00 0.40 0.46 0.00 0.00 60 H 8.70 5.34 0.00 3.12 2.95 0.00 5.54 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 9.69 5.73 0.00 3.11 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 62 D 9.48 5.73 0.00 2.68 2.57 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 0.00 0.00 0.00 0.00 63 I 8.46 5.25 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 1.37 0.89 1.15 0.00 0.00 64 K 9.09 4.41 0.00 1.60 1.48 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.11 0.89 7.81 65 D 9.90 4.39 0.00 2.91 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 66 G 8.46 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 0.00 0.00 0.00 67 K 8.13 5.04 0.00 1.99 1.84 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.68 7.81 68 I 8.78 4.86 1.69 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.28 0.74 0.00 0.00 69 W 9.70 5.17 0.00 3.27 3.23 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 0.00 70 L 8.90 4.63 0.00 1.86 1.49 0.35 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.07 4.56 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.55 2.39 0.00 72 Q 7.54 4.52 0.00 2.04 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 73 N 8.46 4.60 0.00 2.53 2.56 0.00 0.00 7.07 7.78 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 74 L 8.82 4.43 0.00 1.27 1.53 0.77 0.71 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 75 T 7.70 4.24 4.36 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 1.22 0.00 0.00 76 D 8.55 4.64 0.00 2.73 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 77 R 7.86 4.63 0.00 2.00 2.06 0.00 3.22 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 78 N 8.18 4.99 0.00 2.71 2.71 0.00 0.00 6.65 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 79 P 0.00 4.87 0.00 2.57 2.44 0.00 3.92 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 80 A 8.00 4.02 1.09 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 0.00 0.00 0.00 0.00 0.00 81 E 8.30 4.11 0.00 2.17 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 2.52 2.59 0.00 82 E 8.21 4.16 0.00 2.31 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 0.00 2.38 2.57 0.00 83 L 8.14 4.06 0.00 1.82 1.57 0.39 0.40 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 84 V 6.74 5.39 2.31 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 0.94 0.00 0.00 1.17 0.00 0.00 *87 G 7.85 3.84 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 0.00 0.00 0.00 88 V 7.80 3.95 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 0.61 0.00 0.00 0.69 0.00 0.00 89 P 0.00 4.66 0.00 2.40 2.19 0.00 3.88 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 2.28 2.07 0.00 90 R 8.70 4.08 0.00 1.79 1.98 0.00 2.88 0.00 0.00 2.73 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 91 E 8.23 4.08 0.00 2.14 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 0.00 2.39 2.36 0.00 92 D 8.25 4.90 0.00 2.92 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 93 I 7.66 4.90 1.95 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 0.99 0.66 0.68 0.00 0.00 94 V 8.49 4.12 0.67 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 -0.28 0.00 0.00 0.41 0.00 0.00 95 L 8.17 4.53 0.00 1.51 1.47 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.58 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 0.00 0.00 0.00 0.00 97 L 7.92 4.43 0.00 1.66 1.82 0.83 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.78 4.53 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 99 A 8.41 4.13 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 0.00 100 P 0.00 4.29 0.00 2.27 2.22 0.00 3.72 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 101 Y 8.10 4.32 0.00 3.24 3.16 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 0.00 0.00 0.00 102 K 7.50 3.94 0.00 1.71 1.71 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.87 0.31 7.81 103 R 7.77 4.02 0.00 1.87 2.02 0.00 2.98 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 104 Q 7.82 4.00 0.00 1.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 1.73 1.16 0.00 105 Y 7.49 4.46 0.00 3.11 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 0.00 106 T 7.46 4.11 4.37 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 1.28 0.00 0.00 107 D 8.31 4.62 0.00 2.71 2.58 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 0.00 108 Y 7.54 4.98 0.00 2.80 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 0.00 109 G 8.77 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 0.00 0.00 0.00 110 V 7.88 4.51 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 0.65 0.00 0.00 0.90 0.00 0.00 111 A 8.55 4.44 1.53 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.