NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2820 8.3144 124.0426 55.1273 33.8106 174.2896 8 Q 3.9954 7.9992 125.5742 53.1482 30.6767 172.4422 9 Q 4.6264 7.6353 123.7987 55.8064 32.4468 172.8405 10 G 4.0944 7.7012 112.0979 45.5108 0.0000 171.7742 11 E 4.7132 8.8500 117.2327 56.2531 30.7711 176.0856 12 L 4.7116 8.9772 120.7560 53.3548 46.9445 174.8569 13 Y 5.1459 8.9328 118.7726 57.5891 39.8711 174.7905 14 M 5.2829 9.4510 122.2694 53.2901 36.2274 174.4549 15 W 4.4188 8.4324 133.0639 56.2000 31.6191 175.3214 16 D 4.3717 7.6744 128.6689 52.5652 41.0879 176.9785 17 S 3.7494 8.1730 120.1789 59.3597 62.6886 175.0588 18 I 3.8985 6.8268 122.0848 63.6990 37.5915 176.3739 19 D 4.3140 7.7298 120.8703 54.9033 41.2741 176.2685 20 Q 2.5329 7.1187 120.4008 56.8111 27.1914 173.8206 21 K 4.8370 6.2753 117.8006 53.4515 37.0194 177.9607 22 W 5.4180 8.9677 120.0746 56.9136 30.4171 176.1112 23 T 4.9540 9.1551 112.9793 60.0435 72.2484 172.9093 24 R 4.8158 8.6387 122.3520 55.8629 31.7339 175.0807 25 H 5.2774 9.4820 121.3729 53.8051 33.3282 172.5003 26 F 4.8449 9.0302 124.8092 57.9649 40.5691 174.2887 27 C 6.0022 8.6518 122.5860 57.4055 32.3905 172.7060 28 A 5.0149 8.1895 117.3454 50.9637 22.9019 175.4177 29 I 5.0455 8.3249 120.3098 59.5507 39.6740 175.3672 30 A 4.7564 8.5147 129.7152 51.4560 23.0197 175.3475 31 D 4.4379 8.4722 121.1127 55.8962 40.3622 174.6088 32 A 4.9055 8.8401 130.2336 53.1525 20.1197 175.7046 33 K 5.1276 8.6477 122.5219 54.8417 36.0971 177.4517 34 L 5.2872 9.0861 127.1769 52.6482 44.2563 175.1239 35 S 5.5792 9.2823 121.7906 56.6225 65.6163 173.1011 36 F 5.5571 8.6924 116.7741 55.4793 41.2318 174.8004 37 S 4.6462 8.7524 117.4905 57.3372 65.1492 173.0794 38 D 4.6961 8.3313 120.1284 53.4825 42.0176 175.5943 39 D 4.4508 8.7879 119.4673 54.8119 41.6587 176.9575 40 I 4.0644 8.6765 119.2940 61.9473 37.8863 176.7389 41 E 4.1983 8.7488 123.9105 59.1366 29.3002 177.5506 42 Q 4.0095 7.1043 117.7390 56.6250 29.0420 178.9632 *52 S 4.2252 7.5578 110.0598 58.2611 63.7450 174.0349 53 L 4.3698 8.2808 126.3864 54.9433 42.4939 176.9880 54 C 4.6572 7.7253 116.4324 58.9855 32.6412 175.6013 55 R 4.1520 7.7440 119.4918 58.8901 29.9448 179.9443 56 G 3.7935 6.8607 101.1168 46.1451 0.0000 172.7883 57 I 5.3512 8.3711 121.8540 59.3414 40.9511 174.5602 58 L 4.9117 9.3990 126.9431 53.0659 44.6082 175.3677 59 D 5.0507 8.8980 123.4148 53.0047 41.3858 176.7184 60 L 4.2259 9.1136 128.2977 57.7058 41.9764 179.8265 61 N 4.3991 8.4933 115.8742 56.0223 38.6261 175.9335 62 T 4.1676 8.2642 107.2627 62.2214 69.5792 173.6302 63 Y 5.2473 7.6520 119.3510 56.5013 41.0350 174.4436 64 N 5.2133 9.4564 116.9456 51.7705 43.3897 174.1200 65 V 4.9720 8.3612 114.0991 59.8622 33.5245 175.3981 66 V 4.7349 8.8856 125.5627 61.0802 34.4393 174.2068 67 K 4.9064 8.8207 126.1747 54.8163 34.5098 175.9031 68 A 4.5572 8.2929 128.4058 49.7079 18.9461 175.7082 69 P 4.2452 0.0000 0.0000 66.7887 31.4962 178.6452 70 Q 3.9765 7.8810 113.8505 57.1479 28.9871 177.1964 71 G 3.7096 9.4128 106.8757 45.5466 0.0000 172.2636 72 K 4.1875 8.3567 115.8706 56.8563 35.7616 175.8559 73 N 3.8888 9.6409 123.6500 55.2137 35.8768 175.4047 74 Q 3.6339 8.0654 110.4290 55.3017 26.5836 174.9970 75 K 4.3704 7.8789 118.2708 55.5198 34.0163 177.8091 76 S 3.7235 8.1903 119.5834 60.3040 63.2155 173.9122 77 F 5.0027 7.5092 118.5998 55.7792 41.5509 174.8193 78 V 5.1145 8.3467 116.3935 59.4357 36.3261 174.5988 79 F 5.5520 8.6948 117.3317 55.2278 41.6886 173.8605 80 I 4.9057 9.1170 120.6063 59.7539 40.8523 174.9527 81 L 5.2002 8.9875 127.9578 53.6697 41.8696 174.6293 82 E 5.0236 9.0559 122.6685 54.2079 31.7831 174.4262 83 P 4.6838 0.0000 0.0000 62.5629 32.3895 177.3575 84 K 4.0192 8.8749 125.6213 58.2950 31.9367 179.1878 85 Q 4.2017 7.8363 119.9221 55.3009 28.8483 181.3301 86 Q 4.3616 8.3857 116.3093 56.4665 30.1710 179.0160 87 G 3.6511 9.5228 104.9270 48.5991 0.0000 174.9324 88 D 4.0808 8.2147 113.7650 52.0014 41.7463 173.0672 89 P 4.6118 0.0000 0.0000 61.5274 32.3249 174.0855 90 P 4.7646 0.0000 0.0000 62.5370 32.4354 175.9112 91 V 4.0150 8.2599 123.4605 61.3413 33.5320 174.1712 92 E 4.7045 8.3508 127.2224 54.7645 31.8267 175.0577 93 F 5.3272 8.2578 123.1252 55.9992 42.3047 174.6513 94 A 5.0385 8.5987 121.0368 51.1524 22.7114 175.3368 95 T 5.0147 8.5402 109.5352 60.1766 72.0091 174.4169 96 D 4.5725 9.3067 123.7728 57.7365 41.3142 178.2740 97 K 4.5888 7.7535 123.7554 54.8751 34.7458 179.4526 98 V 2.7667 7.5220 122.9229 64.1477 31.0816 178.4936 99 E 3.9337 7.9552 117.6422 59.1967 29.3376 178.8777 100 E 4.0196 8.1697 118.9064 59.2072 29.7242 178.5810 101 L 4.0559 7.6562 120.4041 58.7895 42.0516 179.2704 102 F 3.8573 8.2521 116.9837 60.9300 38.7545 176.5153 103 E 3.7907 8.5118 116.8319 59.9853 29.1258 179.2358 104 W 3.9738 8.5456 117.9595 60.1409 29.5792 178.4246 105 F 3.6754 8.0713 120.1367 61.3774 38.6883 176.8682 106 Q 3.9383 8.3006 117.4935 59.0552 28.3369 178.6803 107 S 4.0065 7.9463 115.4671 62.1187 63.3770 176.9865 108 I 3.7782 7.9516 122.4002 64.2899 36.7250 178.5266 109 R 3.8773 7.6961 119.5007 58.9018 29.6129 178.0702 110 E 4.3715 8.1990 114.2344 57.3647 29.1057 177.4436 111 I 4.4822 7.7928 119.5041 61.7903 40.5570 175.5139 112 T 4.1547 7.6910 114.1002 61.7196 68.8179 174.3801 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 7 K 8.31 4.28 0.00 1.56 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 8 Q 8.00 4.00 0.00 1.90 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.94 0.00 0.00 0.00 0.00 0.00 1.41 1.16 0.00 9 Q 7.64 4.63 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.01 2.27 0.00 10 G 7.70 4.09 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 0.00 11 E 8.85 4.71 0.00 2.02 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 0.00 2.25 2.21 0.00 12 L 8.98 4.71 0.00 1.34 1.39 -0.57 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.93 5.15 0.00 2.87 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 14 M 9.45 5.28 0.00 1.54 1.56 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.83 0.00 15 W 8.43 4.42 0.00 2.15 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 16 D 7.67 4.37 0.00 2.65 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 0.00 0.00 0.00 17 S 8.17 3.75 0.00 3.89 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 18 I 6.83 3.90 1.90 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 1.21 0.37 0.80 0.00 0.00 19 D 7.73 4.31 0.00 2.47 2.60 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 0.00 0.00 0.00 20 Q 7.12 2.53 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 21 K 6.28 4.84 0.00 1.38 1.59 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.03 7.81 22 W 8.97 5.42 0.00 3.21 3.27 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 0.00 0.00 0.00 0.00 23 T 9.16 4.95 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 24 R 8.64 4.82 0.00 1.82 1.86 0.00 3.15 0.00 0.00 3.43 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.64 0.00 25 H 9.48 5.28 0.00 3.15 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 9.03 4.84 0.00 3.27 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 27 C 8.65 6.00 0.00 2.71 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 28 A 8.19 5.01 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 29 I 8.32 5.05 1.77 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.89 0.00 0.00 30 A 8.51 4.76 1.24 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 0.00 0.00 31 D 8.47 4.44 0.00 2.82 1.74 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 32 A 8.84 4.91 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 33 K 8.65 5.13 0.00 1.39 1.63 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.21 7.81 34 L 9.09 5.29 0.00 1.77 1.64 0.68 1.13 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 35 S 9.28 5.58 0.00 3.95 4.01 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 36 F 8.69 5.56 0.00 3.29 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 37 S 8.75 4.65 0.00 4.20 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 0.00 38 D 8.33 4.70 0.00 2.63 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 39 D 8.79 4.45 0.00 2.70 2.60 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 0.00 0.00 0.00 40 I 8.68 4.06 1.90 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 1.32 0.73 1.12 0.00 0.00 41 E 8.75 4.20 0.00 2.25 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 2.34 2.28 0.00 42 Q 7.10 4.01 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.31 2.16 0.00 *52 S 7.56 4.23 0.00 3.86 3.92 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 53 L 8.28 4.37 0.00 1.61 1.62 0.76 0.89 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 54 C 7.73 4.66 0.00 2.97 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 55 R 7.74 4.15 0.00 1.68 1.83 0.00 3.36 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 G 6.86 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 57 I 8.37 5.35 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.70 0.99 0.00 0.00 58 L 9.40 4.91 0.00 1.67 1.71 0.91 1.02 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 59 D 8.90 5.05 0.00 2.81 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 60 L 9.11 4.23 0.00 1.87 1.78 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.49 4.40 0.00 2.95 2.91 0.00 0.00 6.97 7.09 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 62 T 8.26 4.17 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 1.22 0.00 0.00 63 Y 7.65 5.25 0.00 2.92 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 64 N 9.46 5.21 0.00 2.78 2.70 0.00 0.00 7.28 7.42 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 65 V 8.36 4.97 1.56 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 0.68 0.00 0.00 0.62 0.00 0.00 66 V 8.89 4.73 2.21 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 1.11 0.00 0.00 1.06 0.00 0.00 67 K 8.82 4.91 0.00 1.00 1.40 0.00 1.10 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.15 1.13 7.81 68 A 8.29 4.56 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.25 0.00 2.05 2.15 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 70 Q 7.88 3.98 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 71 G 9.41 3.71 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 0.00 0.00 0.00 72 K 8.36 4.19 0.00 1.73 1.56 0.00 1.63 0.00 0.00 1.28 0.00 0.00 3.05 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.07 1.25 7.81 73 N 9.64 3.89 0.00 2.22 2.06 0.00 0.00 6.89 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 74 Q 8.07 3.63 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.17 1.93 0.00 75 K 7.88 4.37 0.00 1.36 1.09 0.00 1.00 0.00 0.00 1.22 0.00 0.00 2.53 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 S 8.19 3.72 0.00 2.91 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 77 F 7.51 5.00 0.00 3.11 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 78 V 8.35 5.11 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 0.84 0.00 0.00 0.97 0.00 0.00 79 F 8.69 5.55 0.00 3.45 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 80 I 9.12 4.91 1.97 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.92 0.95 0.00 0.00 81 L 8.99 5.20 0.00 1.65 1.16 1.24 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 82 E 9.06 5.02 0.00 2.14 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 2.32 2.36 0.00 83 P 0.00 4.68 0.00 1.87 1.65 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 84 K 8.87 4.02 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.25 7.81 85 Q 7.84 4.20 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 86 Q 8.39 4.36 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.08 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 87 G 9.52 3.65 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 0.00 0.00 0.00 88 D 8.21 4.08 0.00 2.74 2.68 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 0.00 0.00 0.00 0.00 89 P 0.00 4.61 0.00 2.10 1.97 0.00 3.79 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 2.04 2.11 0.00 90 P 0.00 4.76 0.00 1.94 2.01 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 91 V 8.26 4.01 1.75 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 0.23 0.00 0.00 0.75 0.00 0.00 92 E 8.35 4.70 0.00 1.88 1.83 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 2.25 2.24 0.00 93 F 8.26 5.33 0.00 1.51 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 0.00 0.00 0.00 94 A 8.60 5.04 0.49 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 0.00 0.00 95 T 8.54 5.01 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 1.31 0.00 0.00 96 D 9.31 4.57 0.00 2.82 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 97 K 7.75 4.59 0.00 1.75 1.67 0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.04 7.81 98 V 7.52 2.77 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 0.00 0.00 0.56 0.00 0.00 0.78 0.00 0.00 99 E 7.96 3.93 0.00 2.16 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 0.00 2.32 2.33 0.00 100 E 8.17 4.02 0.00 2.30 2.28 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 2.51 2.43 0.00 101 L 7.66 4.06 0.00 1.83 1.99 1.09 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 102 F 8.25 3.86 0.00 3.27 3.15 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 0.00 103 E 8.51 3.79 0.00 2.14 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.68 0.00 104 W 8.55 3.97 0.00 3.06 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.07 3.68 0.00 2.93 2.73 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 0.00 106 Q 8.30 3.94 0.00 2.42 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 107 S 7.95 4.01 0.00 3.74 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 0.00 108 I 7.95 3.78 1.60 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 1.41 1.14 0.84 0.00 0.00 109 R 7.70 3.88 0.00 1.60 1.75 0.00 2.95 0.00 0.00 2.86 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 110 E 8.20 4.37 0.00 2.11 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 0.00 2.32 2.41 0.00 111 I 7.79 4.48 1.99 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 1.33 0.56 0.91 0.00 0.00 112 T 7.69 4.15 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 1.34 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.