NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6118 8.3649 120.5321 54.1583 42.2373 174.4373 3 I 4.1859 8.2386 125.0972 59.4000 38.5935 173.3773 4 R 4.4746 9.7386 128.3992 54.6496 32.9850 173.5121 5 Y 4.9498 8.4083 123.3579 56.2942 40.2810 174.9256 6 F 4.7637 9.4124 122.6601 55.8664 42.4474 175.8645 7 G 3.9546 8.8857 111.4864 46.8002 0.0000 173.6918 8 T 3.9524 7.9300 115.0347 63.2745 68.1924 174.5892 9 T 4.5261 8.2288 116.1891 58.6622 71.4738 173.1799 10 P 4.3171 0.0000 0.0000 64.6746 31.4390 177.5383 11 R 4.4076 7.5082 117.5834 57.5770 31.3814 175.2674 12 Y 4.7746 6.7786 110.4664 56.1807 40.8811 172.7549 13 S 5.0772 8.4696 116.6841 56.8534 64.5683 174.3757 14 E 4.0714 8.4251 123.4609 59.1954 30.2793 176.9751 15 A 5.1430 8.1272 119.2188 50.3666 23.4575 175.5138 16 V 4.8568 9.1921 120.0794 61.1413 35.0012 174.4527 17 G 4.7318 9.2711 114.9337 44.5275 0.0000 171.8681 18 A 5.0538 9.0287 124.8527 50.8778 23.0830 175.7900 19 N 4.0889 9.8808 119.8399 54.6431 37.6774 175.2849 20 G 4.0045 8.1190 104.4213 45.5137 0.0000 173.1676 21 L 4.9505 7.8967 120.3885 53.8175 44.0169 175.9008 22 I 5.0525 8.4910 122.1142 59.7629 41.1615 174.2223 23 F 4.9681 9.5430 126.8270 55.7207 40.8758 175.0576 24 L 4.8494 8.5767 124.5350 53.6445 42.7071 177.2515 25 S 4.2173 8.6805 119.0248 58.5751 63.7261 176.1541 26 G 4.3169 8.0025 108.4766 44.9889 0.0000 173.2495 *28 V 3.4561 7.9752 111.4432 60.0646 32.4923 173.6814 29 P 4.3594 0.0000 0.0000 62.8082 31.6194 176.4426 30 E 4.5941 9.7237 121.6958 56.5669 30.9460 175.7027 31 N 4.9632 7.8693 114.2828 52.2942 42.7722 174.9190 32 G 4.1473 8.9797 104.3771 46.1840 0.0000 172.8241 33 E 4.5207 9.1383 117.9442 57.5997 31.8533 178.1840 34 T 4.2500 7.9139 108.0770 60.9537 71.1194 175.0908 35 A 3.9677 8.6346 123.4549 55.3830 18.3430 180.0244 36 A 3.9275 8.6115 119.3868 55.2656 18.4855 179.7447 37 E 3.8736 8.0215 116.5627 59.8432 29.5394 179.7094 38 Q 4.1375 8.2849 118.1322 59.0703 28.6782 178.9238 39 T 3.7607 8.2042 116.8246 66.5947 68.5405 176.0806 40 A 3.9147 7.8429 122.5847 55.4927 18.4066 179.2304 41 D 4.1954 8.0519 116.1626 57.4342 41.3350 178.5933 42 V 3.4975 7.9822 119.0963 66.0399 31.4456 178.0715 43 L 3.4917 8.1643 118.9097 57.3202 41.2414 179.2762 44 A 4.0137 7.8968 120.9418 55.1634 18.2935 179.7327 45 Q 3.9178 7.9989 116.3486 59.1369 28.7591 178.8409 46 I 3.8506 7.7806 120.7716 64.7684 37.3220 178.0533 47 D 4.5119 8.5502 119.8208 57.5985 40.5511 178.9842 48 R 3.7407 7.8444 118.3254 59.3181 30.0698 179.2510 49 W 4.2837 8.1980 118.4115 59.5113 28.9645 178.7174 50 L 3.9734 8.3744 119.1501 57.7834 41.1585 179.3482 51 A 4.0403 7.8323 120.1157 55.3220 18.1064 179.3414 52 E 3.9491 8.0780 115.9642 59.6606 29.6763 178.6464 53 C 3.9924 7.8089 113.4397 59.1354 28.7179 174.1302 54 G 3.7948 8.0625 109.4451 46.1424 0.0000 173.0757 55 S 5.0600 8.2590 115.1388 56.7047 65.5111 171.3400 56 D 4.5747 7.8939 118.6359 52.3537 41.3079 176.0732 57 K 3.7122 8.4376 117.5798 59.4689 32.3583 177.5228 58 A 4.2138 7.5805 120.7052 52.8479 18.6214 176.9552 59 H 4.8314 8.3458 113.8893 55.4678 30.0218 173.2469 60 V 4.2925 7.8062 119.0273 62.5529 32.4148 175.3404 61 L 4.5246 8.9814 126.6852 56.3943 43.6813 176.2248 62 D 5.2100 7.8137 116.6404 52.8238 45.1535 174.0257 63 A 5.1514 9.3359 126.7925 50.3912 22.8555 174.7096 64 V 4.4608 8.7230 123.0000 61.0675 34.0038 174.3433 65 I 4.6149 8.4821 129.3053 59.8160 39.4216 174.1312 66 Y 5.0312 9.0421 126.2240 56.5559 39.6289 174.7735 67 L 5.0435 8.7275 125.1047 52.9790 43.8040 177.7833 68 R 4.0681 8.8771 124.2977 59.3221 30.7445 175.2956 69 D 4.7600 7.6562 116.5778 52.9420 43.9518 174.8375 *71 G 3.8875 8.5864 104.9670 45.6510 0.0000 173.0651 72 D 4.7888 8.2510 119.5626 54.3605 41.0567 177.6277 73 Y 4.0905 8.2104 121.2041 60.8989 39.1508 177.4607 74 A 3.9460 8.1308 122.0761 55.1996 18.5192 179.3284 75 E 3.9822 7.7176 113.0175 57.2376 29.1913 178.0305 *77 N 4.5015 8.3058 117.0556 52.7882 40.6189 176.7815 78 G 3.7302 8.1904 104.8685 47.9787 0.0000 175.9076 79 V 3.7192 7.1736 119.1342 65.2399 31.9142 177.3890 80 W 4.4534 8.3102 127.6633 60.9528 30.2903 177.3619 81 D 4.4200 8.7824 117.3428 57.3879 40.3843 178.3315 82 A 4.1687 7.6055 117.8802 53.4666 18.5719 178.7539 83 W 4.2778 7.8051 126.4464 58.7346 31.5836 177.3389 84 V 2.8251 6.8253 110.0038 60.8965 31.7143 175.5284 85 A 3.8606 7.8460 125.9132 51.0956 18.5803 177.0885 86 A 4.0289 8.3756 126.3847 54.1492 18.6880 177.9425 87 G 4.0431 9.0876 110.0874 45.8370 0.0000 173.6661 88 R 4.6764 7.7371 118.7204 55.7318 31.3926 175.6184 89 T 4.0491 7.9521 107.6987 60.8701 69.7108 172.3365 90 P 4.7909 0.0000 0.0000 61.6531 33.3763 175.2565 91 A 4.2700 8.8546 122.2066 52.2318 19.2203 176.7693 92 R 5.1302 8.5013 120.4745 54.6529 33.8719 174.1351 93 A 4.6955 8.6033 125.1934 50.4620 23.0079 174.5653 94 C 5.2006 8.5157 121.1789 57.5200 34.5142 173.4414 95 V 4.4846 8.6413 124.4400 60.1978 35.0590 173.1815 96 E 4.9835 8.7153 123.4534 55.3034 30.3520 175.1975 97 A 4.7450 8.9795 128.6307 50.4944 22.5365 176.1140 98 R 4.1213 8.7690 121.3410 56.3870 31.0526 176.1239 99 L 4.7150 8.2952 121.0979 52.5073 44.6118 177.3068 100 A 3.9468 8.8018 121.5571 54.4389 18.7847 177.9980 101 R 4.2748 6.7123 114.4137 53.2811 33.1440 175.0111 102 P 4.2380 0.0000 0.0000 65.5975 31.4606 177.5652 103 E 4.1583 7.8109 115.3867 57.3688 29.8498 176.5599 104 W 4.6433 7.8229 119.5246 56.7061 29.0918 176.1784 105 R 4.6249 9.7096 123.8284 57.1660 31.1156 176.9056 106 V 5.0522 7.5508 117.2043 60.3097 34.6251 173.5364 107 E 4.6944 9.4637 124.1164 54.5223 33.2069 173.9713 108 I 5.0385 8.4355 126.2875 59.3359 40.5060 174.4491 109 K 4.6495 9.2210 128.5748 54.6691 34.6482 174.6457 110 I 5.0971 8.4667 127.3573 59.8345 40.7475 174.4120 111 T 4.9603 8.8181 121.9542 61.8677 71.7590 173.2067 112 A 4.9711 8.8466 126.8804 50.7047 23.4496 174.6292 113 V 4.9052 8.2366 116.8195 59.6691 34.2727 176.2842 114 K 4.2850 8.5401 122.3241 56.4681 32.5577 177.3678 115 R 3.9235 8.0604 122.6312 56.3304 30.4469 178.0777 116 D 4.6737 8.4220 125.9053 54.1872 41.4162 176.5027 117 A 4.1597 8.5792 126.1253 53.5980 18.3610 177.4010 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 D 8.36 4.61 0.00 2.67 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 0.00 3 I 8.24 4.19 1.72 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 1.15 0.59 0.18 0.00 0.00 4 R 9.74 4.47 0.00 1.76 1.74 0.00 3.03 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.34 0.00 5 Y 8.41 4.95 0.00 2.78 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 6 F 9.41 4.76 0.00 2.92 3.09 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 7 G 8.89 3.95 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 0.00 0.00 0.00 8 T 7.93 3.95 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 1.05 0.00 0.00 9 T 8.23 4.53 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 0.86 0.00 0.00 10 P 0.00 4.32 0.00 2.02 2.12 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 11 R 7.51 4.41 0.00 1.83 2.07 0.00 3.50 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 12 Y 6.78 4.77 0.00 3.17 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 13 S 8.47 5.08 0.00 3.92 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 14 E 8.43 4.07 0.00 1.16 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 2.24 1.91 0.00 15 A 8.13 5.14 1.11 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 0.00 0.00 16 V 9.19 4.86 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 0.73 0.00 0.00 1.05 0.00 0.00 17 G 9.27 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 9.03 5.05 1.23 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 19 N 9.88 4.09 0.00 2.80 2.86 0.00 0.00 7.14 7.98 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 20 G 8.12 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 21 L 7.90 4.95 0.00 1.88 1.52 1.01 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.49 5.05 1.79 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 1.20 0.80 0.86 0.00 0.00 23 F 9.54 4.97 0.00 2.90 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 24 L 8.58 4.85 0.00 1.58 1.59 1.04 0.81 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 25 S 8.68 4.22 0.00 3.65 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.00 4.32 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 0.00 *28 V 7.98 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 0.33 0.00 0.00 0.17 0.00 0.00 29 P 0.00 4.36 0.00 1.94 1.88 0.00 2.20 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 30 E 9.72 4.59 0.00 2.02 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 2.29 2.21 0.00 31 N 7.87 4.96 0.00 2.77 2.66 0.00 0.00 7.15 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 32 G 8.98 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.14 4.52 0.00 1.93 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 2.26 2.23 0.00 34 T 7.91 4.25 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 1.23 0.00 0.00 35 A 8.63 3.97 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 36 A 8.61 3.93 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 37 E 8.02 3.87 0.00 2.22 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 2.34 2.36 0.00 38 Q 8.28 4.14 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 39 T 8.20 3.76 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 1.22 0.00 0.00 40 A 7.84 3.91 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 41 D 8.05 4.20 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 42 V 7.98 3.50 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 0.88 0.00 0.00 0.83 0.00 0.00 43 L 8.16 3.49 0.00 1.17 0.27 0.52 -0.35 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 44 A 7.90 4.01 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 45 Q 8.00 3.92 0.00 2.38 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 46 I 7.78 3.85 1.94 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.70 1.11 0.00 0.00 47 D 8.55 4.51 0.00 2.94 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 48 R 7.84 3.74 0.00 1.85 1.27 0.00 2.94 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 49 W 8.20 4.28 0.00 3.46 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 50 L 8.37 3.97 0.00 1.74 1.85 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.83 4.04 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 52 E 8.08 3.95 0.00 2.16 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 0.00 2.17 2.18 0.00 53 C 7.81 3.99 0.00 2.89 2.65 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 54 G 8.06 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 55 S 8.26 5.06 0.00 3.72 3.80 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 56 D 7.89 4.57 0.00 2.83 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 0.00 57 K 8.44 3.71 0.00 0.79 1.44 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.45 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.02 0.84 7.81 58 A 7.58 4.21 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 59 H 8.35 4.83 0.00 3.28 3.36 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.81 4.29 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 1.01 0.00 0.00 1.05 0.00 0.00 61 L 8.98 4.52 0.00 1.65 1.66 0.85 0.64 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 62 D 7.81 5.21 0.00 2.75 2.44 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 0.00 63 A 9.34 5.15 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 64 V 8.72 4.46 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 0.26 0.00 0.00 0.87 0.00 0.00 65 I 8.48 4.61 1.61 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.17 0.79 0.00 0.00 66 Y 9.04 5.03 0.00 2.84 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 67 L 8.73 5.04 0.00 1.61 1.60 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.88 4.07 0.00 2.05 2.01 0.00 3.43 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 69 D 7.66 4.76 0.00 2.71 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 *71 G 8.59 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 0.00 0.00 0.00 72 D 8.25 4.79 0.00 2.89 2.72 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 73 Y 8.21 4.09 0.00 2.79 3.01 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 74 A 8.13 3.95 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 75 E 7.72 3.98 0.00 1.87 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 2.32 2.29 0.00 *77 N 8.31 4.50 0.00 2.73 2.75 0.00 0.00 6.89 7.95 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 78 G 8.19 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.17 3.72 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 0.84 0.00 0.00 1.00 0.00 0.00 80 W 8.31 4.45 0.00 3.49 3.20 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 81 D 8.78 4.42 0.00 2.75 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 82 A 7.61 4.17 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 83 W 7.81 4.28 0.00 3.23 3.17 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 84 V 6.83 2.83 1.78 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 -0.10 0.00 0.00 0.83 0.00 0.00 85 A 7.85 3.86 1.02 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 0.00 0.00 86 A 8.38 4.03 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 87 G 9.09 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 0.00 0.00 0.00 88 R 7.74 4.68 0.00 1.73 1.76 0.00 3.08 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 89 T 7.95 4.05 4.34 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 1.18 0.00 0.00 90 P 0.00 4.79 0.00 2.26 2.35 0.00 4.03 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 91 A 8.85 4.27 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 92 R 8.50 5.13 0.00 1.82 1.69 0.00 2.21 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.22 0.00 93 A 8.60 4.70 1.10 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 0.00 0.00 94 C 8.52 5.20 0.00 2.84 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 95 V 8.64 4.48 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 0.73 0.00 0.00 0.89 0.00 0.00 96 E 8.72 4.98 0.00 1.98 1.90 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 2.35 2.39 0.00 97 A 8.98 4.75 1.25 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 0.00 0.00 0.00 98 R 8.77 4.12 0.00 1.71 1.88 0.00 3.16 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 99 L 8.30 4.72 0.00 1.95 1.88 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.80 3.95 1.33 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 0.00 0.00 101 R 6.71 4.27 0.00 0.67 1.12 0.00 2.68 0.00 0.00 2.83 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 102 P 0.00 4.24 0.00 1.97 2.06 0.00 3.44 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.01 0.00 103 E 7.81 4.16 0.00 2.02 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 2.30 2.35 0.00 104 W 7.82 4.64 0.00 3.54 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 0.00 105 R 9.71 4.62 0.00 1.84 2.01 0.00 3.23 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 106 V 7.55 5.05 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 0.60 0.00 0.00 0.92 0.00 0.00 107 E 9.46 4.69 0.00 2.00 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 2.28 2.21 0.00 108 I 8.44 5.04 1.84 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 1.16 0.76 0.96 0.00 0.00 109 K 9.22 4.65 0.00 1.97 1.74 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 110 I 8.47 5.10 1.94 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.13 0.99 0.00 0.00 111 T 8.82 4.96 4.13 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 0.67 0.00 0.00 112 A 8.85 4.97 1.25 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 0.00 0.00 0.00 113 V 8.24 4.91 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 0.83 0.00 0.00 0.95 0.00 0.00 114 K 8.54 4.29 0.00 1.68 1.77 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.43 7.81 115 R 8.06 3.92 0.00 1.64 1.76 0.00 3.07 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 1.13 1.50 0.00 116 D 8.42 4.67 0.00 2.66 2.52 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 0.00 117 A 8.58 4.16 1.23 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 * Residues marked with a * may have inaccurate shift predictions.