NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.9034 8.2833 119.1761 53.0831 40.1914 174.7735 2 L 4.0899 8.7864 126.9087 58.0626 41.4750 178.3964 3 L 4.0445 8.7414 119.9065 57.7019 41.9086 178.9214 4 Q 4.1584 8.6046 118.4515 58.3879 28.6838 178.0493 5 F 4.4771 8.2823 121.4008 61.6110 39.4942 176.7263 6 N 4.1334 8.4317 116.1273 56.0332 38.0553 177.3334 7 K 3.9842 7.5513 120.2600 59.8076 32.5894 178.3980 8 M 4.2300 8.3620 119.2481 58.4565 31.8919 178.8002 9 I 3.6251 7.9001 119.9958 64.1860 37.3084 178.2551 10 K 4.7179 7.8727 121.6443 58.8306 31.8102 177.9639 *12 E 4.2553 7.8864 116.9613 56.3022 31.2959 176.4979 13 E 4.1194 8.4941 117.2183 59.0812 29.6767 178.0152 14 T 4.1487 8.3883 107.3353 61.4454 69.7107 175.9865 15 G 3.8773 8.6325 110.5247 44.8587 0.0000 173.2837 16 K 4.3257 7.6540 118.8159 54.6596 33.8768 174.9021 17 N 5.1089 8.5482 116.9595 51.9199 40.2732 176.2519 18 A 4.1212 8.8522 125.4429 55.2051 18.5650 177.5649 19 I 4.5228 7.6577 115.7501 59.7066 38.1348 174.0097 20 P 4.8830 0.0000 0.0000 63.0665 32.4524 177.3704 21 F 4.0406 6.5154 117.7768 59.9181 38.7755 175.7276 22 Y 4.7114 8.4214 113.4733 57.0219 40.0725 176.2705 23 A 3.7956 7.8022 123.9809 54.5027 19.2303 177.8021 24 F 5.2970 7.7240 113.3991 56.7122 40.1979 173.1411 25 Y 5.0115 8.1361 122.6423 56.7540 41.8830 175.7499 26 G 3.4076 7.8512 115.7398 47.2944 0.0000 173.4758 27 C 4.6135 8.9970 114.9751 57.6122 41.2297 174.2834 28 Y 4.4336 8.6764 114.9376 57.5441 38.9015 174.8251 29 C 4.5777 8.3833 119.2855 57.3442 39.0246 174.1305 30 G 4.3554 9.1887 109.4106 46.1394 0.0000 172.1854 31 W 4.4813 7.2055 119.7374 57.1198 26.6712 175.0314 32 G 4.0430 8.6336 116.1516 44.8718 0.0000 170.5698 33 G 3.9116 8.4108 106.1308 44.9363 0.0000 171.7333 34 Q 4.4809 7.6622 116.2009 55.9749 31.8201 175.2937 35 G 4.2465 9.3796 105.1140 44.7876 0.0000 172.2374 36 K 4.8236 8.4349 119.1504 53.4896 34.8995 174.1945 37 P 4.5579 0.0000 0.0000 63.2420 31.7960 176.7942 38 K 3.8591 9.5727 123.3740 59.1288 32.2081 176.3228 39 D 4.5728 7.4588 115.7257 51.3097 42.0822 175.2340 40 G 4.0700 8.9173 106.0160 48.1164 0.0000 175.6987 41 T 4.0508 7.9493 117.8777 66.4073 68.4799 176.0653 42 D 4.5362 8.7327 120.0582 57.4916 41.2602 178.3192 43 R 3.9526 8.4415 119.3980 59.2523 30.0062 177.7931 44 C 4.2339 8.0877 116.2433 60.2264 35.7176 175.4165 45 C 4.3908 8.1237 117.9896 59.9444 34.0863 175.6888 46 F 3.8416 8.3832 122.3584 61.4668 38.8852 177.2708 47 V 3.3016 8.3330 117.9296 66.1484 31.1996 177.1930 48 H 3.8354 8.0980 117.8697 59.3486 29.5819 176.8022 49 D 4.2117 7.7856 120.2580 57.6561 40.4621 178.2150 50 C 4.1430 7.2999 115.0132 59.8782 34.9581 175.0249 51 C 4.2704 8.2785 120.3973 60.0492 41.4863 175.2784 52 Y 4.2637 8.2648 118.6682 61.1455 37.2377 178.6903 53 G 3.8246 8.3636 105.8994 48.1704 0.0000 175.2254 54 R 4.1471 7.6983 117.5469 57.0995 31.2432 176.9907 55 L 4.5838 8.0463 121.3127 52.9305 41.4412 177.1740 56 V 3.5471 7.6366 120.6855 64.9717 31.8722 177.9084 *59 N 5.0403 7.9319 115.2565 52.6869 38.7878 174.1804 *61 C 5.1044 7.7384 114.3570 57.8507 42.4383 172.6668 *67 N 5.1909 8.3909 118.7717 53.1465 38.8924 174.5784 68 T 3.4109 7.6607 110.8478 64.4490 69.2888 176.5635 69 K 4.1776 8.0647 121.0019 58.6111 32.4192 178.5535 70 S 4.5982 7.4967 109.0794 57.7070 64.1923 173.8190 71 D 4.2028 8.0074 121.2901 54.6671 40.9935 175.6766 72 I 3.9974 8.3090 128.2538 60.7455 37.3945 174.9065 73 Y 4.7922 7.4485 123.3776 55.1794 40.1273 174.3496 74 S 5.1194 8.5505 114.1091 56.9023 64.6404 172.1792 75 Y 5.2232 8.3924 123.4544 56.6120 40.9897 173.4080 76 S 4.3435 9.4128 113.7197 57.3664 66.7795 173.9910 77 L 4.7976 8.1754 122.4778 53.5533 39.6069 175.7879 78 K 3.9974 8.4990 120.2005 56.2985 32.2370 176.0487 79 E 3.5806 8.9368 130.0947 57.8144 26.9513 174.4871 80 G 4.0628 8.1762 100.0892 46.5835 0.0000 171.6850 81 Y 4.4691 7.5259 115.2031 55.3820 41.3489 174.9464 82 I 4.1505 8.7331 125.2779 62.2906 37.7044 175.3670 83 T 4.7279 9.4452 124.9258 61.8409 71.2198 173.2544 84 C 4.9171 8.7844 123.1150 56.1927 41.4618 174.0222 85 G 4.0703 9.1173 111.4949 44.5077 0.0000 172.8782 86 K 4.3736 8.4403 120.6435 55.5937 34.2136 175.6116 *88 G 4.1756 7.9215 112.5592 45.4062 0.0000 176.2469 89 T 4.4685 9.1181 116.8904 59.8987 71.5730 174.3880 90 N 4.2223 8.5737 119.6864 57.1496 38.8762 177.7915 91 C 4.2463 8.0417 117.3134 59.9242 40.4921 175.4682 92 E 4.0074 8.0984 120.1714 59.7153 29.1976 179.4575 93 E 3.8817 8.4275 118.6621 59.2538 29.4877 179.2723 94 Q 3.8291 8.1257 119.5341 59.2617 29.2153 178.1880 95 I 3.5815 8.0675 121.1551 64.5330 37.1493 177.4821 96 C 3.1264 7.7365 119.0815 59.2924 43.8266 175.5070 97 E 3.7668 7.7150 119.7819 59.5930 29.0255 178.5755 98 C 4.1235 7.9687 116.4246 60.0952 41.4080 176.0068 99 D 3.5374 7.8251 120.1209 57.1377 40.4274 178.4003 100 R 3.7678 8.0984 119.3760 59.8113 30.0537 178.4397 101 V 3.4934 7.7739 117.3405 65.9423 31.3830 177.9876 102 A 3.5258 7.6571 119.7228 54.8237 18.1071 179.2449 103 A 3.7855 7.9315 119.3403 55.6202 18.3858 179.8454 104 E 3.8754 8.0710 116.8562 59.4848 29.3328 178.7265 105 C 4.1758 7.9252 118.7015 59.5745 43.3600 175.7394 106 F 4.4321 7.5437 118.8028 60.3607 38.7171 177.2976 107 R 4.0477 7.7022 118.4769 59.7498 29.7641 178.9057 108 R 4.0417 8.0864 116.2812 58.5657 30.3555 177.7797 109 N 4.8646 7.6894 114.7645 53.0996 38.8478 176.5332 110 L 4.1178 7.8593 123.7127 57.9362 41.4822 178.9660 111 D 4.5445 8.2281 116.7854 55.3309 39.5457 176.6790 112 T 4.5127 7.8015 108.2153 60.9074 69.4216 173.7023 113 Y 3.9791 7.8098 124.4142 58.4057 39.2635 174.3933 114 N 5.0125 8.7531 125.3796 51.5342 40.6327 174.6114 115 N 4.5391 9.0297 124.2658 56.1905 38.7893 176.8775 116 G 3.6574 7.7464 104.7099 46.8136 0.0000 173.4730 117 Y 4.5844 7.6209 117.5977 57.9113 38.7504 175.3054 118 M 4.1028 7.1982 120.4802 56.1980 32.6956 175.6289 119 F 4.0425 8.9644 124.4931 58.8307 36.8806 174.8974 120 Y 4.1746 8.2045 121.7050 56.6648 39.2116 174.9686 121 R 3.9155 8.1234 126.9477 56.3437 30.7224 177.2753 122 D 4.3975 8.8370 122.8788 56.8587 41.5558 177.8722 *124 S 4.4332 7.9609 111.9608 58.4537 64.6361 174.6761 125 K 4.2400 7.9696 117.2600 57.1468 32.1891 176.7784 126 C 4.8749 7.6651 118.0204 56.4060 39.3473 176.0132 127 T 4.3971 7.2501 116.6791 62.4920 68.3722 174.5269 128 E 4.7239 8.1491 121.6629 55.3136 31.5667 175.7207 129 T 4.0018 8.8175 117.0860 64.2893 68.6646 174.2048 130 S 5.0278 8.6327 122.4242 58.3087 63.4521 174.3051 131 E 4.2359 8.2815 124.9802 56.2924 30.2226 175.8775 132 E 4.6249 8.6017 123.4958 55.3866 31.2523 177.2485 133 C 4.4681 8.6937 118.9475 57.4156 41.4011 173.7112 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 1 N 8.28 4.90 0.00 2.76 2.79 0.00 0.00 7.04 5.78 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 2 L 8.79 4.09 0.00 1.81 1.79 1.15 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.74 4.04 0.00 1.73 1.74 0.94 0.92 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 4 Q 8.60 4.16 0.00 1.95 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 5 F 8.28 4.48 0.00 3.23 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 6 N 8.43 4.13 0.00 3.05 2.84 0.00 0.00 6.69 6.77 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 7 K 7.55 3.98 0.00 1.94 2.17 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.66 7.81 8 M 8.36 4.23 0.00 2.12 2.39 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 9 I 7.90 3.63 1.87 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 1.22 0.29 0.74 0.00 0.00 10 K 7.87 4.72 0.00 2.01 1.86 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.48 7.81 *12 E 7.89 4.26 0.00 2.20 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 0.00 2.25 2.42 0.00 13 E 8.49 4.12 0.00 2.06 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 2.43 2.35 0.00 14 T 8.39 4.15 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 1.26 0.00 0.00 15 G 8.63 3.88 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 0.00 0.00 0.00 16 K 7.65 4.33 0.00 1.56 0.96 0.00 1.20 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.90 7.81 17 N 8.55 5.11 0.00 3.14 2.84 0.00 0.00 6.66 7.54 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 18 A 8.85 4.12 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 19 I 7.66 4.52 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.58 1.05 0.00 0.00 20 P 0.00 4.88 0.00 2.34 2.51 0.00 2.93 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.76 0.00 21 F 6.52 4.04 0.00 3.24 2.42 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 22 Y 8.42 4.71 0.00 2.64 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 23 A 7.80 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.72 5.30 0.00 3.30 3.22 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 25 Y 8.14 5.01 0.00 2.82 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 26 G 7.85 3.41 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 0.00 27 C 9.00 4.61 0.00 3.00 3.08 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 28 Y 8.68 4.43 0.00 3.36 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 29 C 8.38 4.58 0.00 3.47 3.44 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 30 G 9.19 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 0.00 0.00 0.00 0.00 31 W 7.21 4.48 0.00 3.35 3.28 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 32 G 8.63 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 33 G 8.41 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 0.00 0.00 0.00 34 Q 7.66 4.48 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.17 2.31 0.00 35 G 9.38 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 0.00 0.00 0.00 0.00 36 K 8.43 4.82 0.00 1.69 1.62 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.42 7.81 37 P 0.00 4.56 0.00 1.89 2.03 0.00 3.41 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 38 K 9.57 3.86 0.00 1.08 0.74 0.00 1.43 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.40 0.21 7.81 39 D 7.46 4.57 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 40 G 8.92 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 41 T 7.95 4.05 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 1.03 0.00 0.00 42 D 8.73 4.54 0.00 3.10 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 43 R 8.44 3.95 0.00 1.95 2.11 0.00 3.14 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 44 C 8.09 4.23 0.00 3.47 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 45 C 8.12 4.39 0.00 3.45 3.50 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 46 F 8.38 3.84 0.00 2.59 2.99 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 47 V 8.33 3.30 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 0.83 0.00 0.00 1.12 0.00 0.00 48 H 8.10 3.84 0.00 3.22 3.33 0.00 5.65 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 49 D 7.79 4.21 0.00 2.82 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 50 C 7.30 4.14 0.00 2.86 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 51 C 8.28 4.27 0.00 2.94 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 52 Y 8.26 4.26 0.00 2.97 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 53 G 8.36 3.82 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 0.00 0.00 0.00 54 R 7.70 4.15 0.00 1.99 1.96 0.00 3.11 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 55 L 8.05 4.58 0.00 1.56 1.54 0.81 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.64 3.55 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 0.74 0.00 0.00 0.98 0.00 0.00 *59 N 7.93 5.04 0.00 2.89 3.10 0.00 0.00 6.71 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 *61 C 7.74 5.10 0.00 2.91 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 *67 N 8.39 5.19 0.00 2.71 2.72 0.00 0.00 7.39 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 68 T 7.66 3.41 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 0.76 0.00 0.00 69 K 8.06 4.18 0.00 1.84 1.91 0.00 1.67 0.00 0.00 1.91 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.46 7.81 70 S 7.50 4.60 0.00 3.99 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 71 D 8.01 4.20 0.00 2.78 2.66 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 72 I 8.31 4.00 1.84 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 1.39 0.73 0.85 0.00 0.00 73 Y 7.45 4.79 0.00 3.00 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 74 S 8.55 5.12 0.00 3.97 3.82 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 75 Y 8.39 5.22 0.00 3.21 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 76 S 9.41 4.34 0.00 3.78 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 77 L 8.18 4.80 0.00 1.58 1.72 1.05 1.00 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 78 K 8.50 4.00 0.00 1.72 1.82 0.00 1.91 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.39 7.81 79 E 8.94 3.58 0.00 2.25 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 0.00 2.30 2.27 0.00 80 G 8.18 4.06 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 0.00 0.00 0.00 81 Y 7.53 4.47 0.00 3.26 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 82 I 8.73 4.15 1.90 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 1.45 0.51 0.92 0.00 0.00 83 T 9.45 4.73 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 1.23 0.00 0.00 84 C 8.78 4.92 0.00 2.81 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.12 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 86 K 8.44 4.37 0.00 1.80 1.68 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.63 1.42 7.81 *88 G 7.92 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 0.00 0.00 0.00 0.00 89 T 9.12 4.47 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 90 N 8.57 4.22 0.00 2.76 2.84 0.00 0.00 6.91 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 91 C 8.04 4.25 0.00 2.99 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 92 E 8.10 4.01 0.00 2.33 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 2.44 2.41 0.00 93 E 8.43 3.88 0.00 1.95 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 2.43 2.38 0.00 94 Q 8.13 3.83 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 95 I 8.07 3.58 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.64 0.98 0.00 0.00 96 C 7.74 3.13 0.00 2.11 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 97 E 7.71 3.77 0.00 2.15 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 2.38 2.42 0.00 98 C 7.97 4.12 0.00 3.15 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 99 D 7.83 3.54 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 3.77 0.00 1.77 1.95 0.00 3.19 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 101 V 7.77 3.49 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 0.86 0.00 0.00 0.89 0.00 0.00 102 A 7.66 3.53 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 0.00 103 A 7.93 3.79 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 0.00 104 E 8.07 3.88 0.00 1.97 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 2.28 2.58 0.00 105 C 7.93 4.18 0.00 2.98 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 0.00 106 F 7.54 4.43 0.00 3.03 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 4.05 0.00 1.83 1.98 0.00 3.07 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.84 0.00 108 R 8.09 4.04 0.00 1.82 2.00 0.00 3.20 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 109 N 7.69 4.86 0.00 2.91 2.92 0.00 0.00 6.84 6.61 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 0.00 110 L 7.86 4.12 0.00 1.98 1.74 0.79 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.23 4.54 0.00 2.80 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 0.00 112 T 7.80 4.51 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 1.26 0.00 0.00 113 Y 7.81 3.98 0.00 3.03 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 0.00 114 N 8.75 5.01 0.00 2.75 2.54 0.00 0.00 6.79 6.15 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 0.00 115 N 9.03 4.54 0.00 2.86 2.93 0.00 0.00 6.99 7.69 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 0.00 116 G 7.75 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 0.00 117 Y 7.62 4.58 0.00 1.94 1.49 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 0.00 118 M 7.20 4.10 0.00 1.42 1.88 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 1.68 0.00 119 F 8.96 4.04 0.00 3.21 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 0.00 120 Y 8.20 4.17 0.00 3.02 3.08 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 0.00 121 R 8.12 3.92 0.00 1.63 1.72 0.00 3.10 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 122 D 8.84 4.40 0.00 2.72 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 *124 S 7.96 4.43 0.00 4.01 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 0.00 125 K 7.97 4.24 0.00 1.56 1.87 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.17 7.81 126 C 7.67 4.87 0.00 3.15 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 0.00 127 T 7.25 4.40 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 1.23 0.00 0.00 128 E 8.15 4.72 0.00 2.10 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 2.19 2.29 0.00 129 T 8.82 4.00 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 1.24 0.00 0.00 130 S 8.63 5.03 0.00 3.86 4.02 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 0.00 131 E 8.28 4.24 0.00 1.86 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 2.21 2.14 0.00 132 E 8.60 4.62 0.00 1.94 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 2.31 2.31 0.00 133 C 8.69 4.47 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 * Residues marked with a * may have inaccurate shift predictions.