NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *5 D 4.6765 8.3493 119.5565 53.3373 40.4777 174.1958 6 K 4.2855 8.3726 124.9323 55.9587 34.1588 175.6571 7 I 4.8278 8.6311 114.3723 58.3321 41.3797 175.9313 8 T 5.0535 8.2495 119.3412 62.0570 71.1269 173.7483 9 V 4.3844 8.6618 125.1413 61.3295 35.0604 173.6201 10 H 5.2401 8.6270 124.9768 54.3625 30.7729 173.6144 11 F 4.8835 9.7538 123.6201 56.0041 41.4414 175.4893 12 I 4.6318 8.8281 125.9921 59.2011 36.6556 174.8527 13 N 4.2580 8.7488 125.6818 52.5075 39.8481 174.7268 14 R 4.0654 8.6201 121.8558 59.1289 30.1548 176.3061 15 D 4.6555 8.2066 116.4454 51.7251 39.2661 174.9639 16 G 4.2415 8.4197 120.0907 47.3395 0.0000 171.7976 17 E 3.9613 7.7199 117.9086 57.0055 30.8370 176.7803 18 T 4.9731 8.4988 119.1968 62.0559 70.6486 173.3896 19 L 4.7154 9.2981 127.8722 53.3725 43.7641 175.9011 20 T 5.1677 8.4671 120.1358 62.3586 71.3207 173.2346 21 T 4.6267 8.4856 118.7403 61.4617 71.5497 171.7633 22 K 5.1926 8.5127 120.8047 54.9280 36.0640 176.2184 23 G 4.3892 8.8067 108.0123 44.9925 0.0000 172.7401 24 K 4.7602 8.4987 120.5236 55.5434 34.7466 176.2743 25 I 3.7256 8.1875 121.8698 63.3664 37.0686 174.6872 26 G 4.2176 8.9790 114.1891 46.0867 0.0000 174.4733 27 D 4.4849 7.7258 119.5281 54.1046 41.7149 176.3961 28 S 4.9693 8.7366 118.1993 57.7984 65.6327 175.6110 29 L 4.3281 8.7607 122.3827 57.2711 41.2270 179.5814 30 L 4.4122 8.0705 120.6501 58.1431 42.0873 178.3447 31 D 4.3808 8.0054 118.9223 57.1046 40.2595 178.7352 32 V 3.5968 7.7322 118.3967 66.0373 31.4948 178.2822 33 V 3.0942 7.5102 117.7367 65.7802 31.2269 178.1519 34 V 3.5175 8.0448 118.2107 66.2672 31.3308 178.0717 35 Q 3.9945 8.5389 116.7513 58.4123 28.6806 177.3474 36 N 4.6886 7.6937 112.2673 52.0512 39.1393 174.3100 37 N 4.1261 8.0629 115.2563 54.0529 36.7917 174.7742 38 L 4.0665 7.7463 117.0239 54.6188 42.5674 178.5262 39 D 4.4704 8.3193 123.7527 52.9504 39.5629 173.4590 40 I 4.2232 7.1860 121.2730 58.9295 38.6328 174.5569 41 D 4.4194 8.9381 125.2902 54.9928 40.3969 177.8131 42 G 3.9935 8.6719 115.2971 46.1440 0.0000 172.5789 43 F 4.6111 7.4518 120.6625 57.7732 40.2924 175.3711 44 G 3.6759 8.3723 117.5166 45.9057 0.0000 174.9167 45 A 3.9137 8.6447 124.4454 55.1280 19.1639 179.2981 46 C 4.3554 8.0302 107.9720 57.7291 30.3237 173.1280 47 E 4.0977 8.4470 118.6609 57.9140 26.8415 174.1009 48 G 3.8960 8.2549 100.4815 47.6451 0.0000 174.3809 49 T 4.5489 7.1701 103.2900 60.5764 69.6364 173.7690 50 L 3.5824 8.0889 118.0871 57.2343 39.1581 174.7605 51 A 4.7488 7.9396 116.4132 51.8414 20.4177 176.3276 52 C 4.5518 7.4122 110.2890 58.3438 31.5328 174.4785 53 S 4.5637 8.4581 114.0999 59.0046 63.9395 176.3875 54 T 3.9767 7.9320 110.1923 64.0073 68.8584 174.9984 55 C 2.6413 7.5165 116.7669 57.3969 29.9022 172.2168 56 H 4.7777 7.6509 120.8263 57.4530 29.8876 174.5707 57 L 5.0489 9.4002 124.7762 53.1386 46.4017 175.7022 58 I 4.8006 9.0729 124.8874 59.9751 38.4277 175.7089 59 F 4.6642 9.3238 126.9161 56.3926 40.4985 175.6260 60 E 4.3085 8.7157 119.0595 55.8555 30.5835 177.5792 61 Q 4.0735 9.0731 123.7347 60.1165 28.7297 179.2975 62 H 4.2997 8.3280 113.7680 58.6814 28.8221 177.1999 63 I 3.8475 7.3400 121.9827 63.9847 37.0944 177.4900 64 F 4.0062 8.6367 122.2396 61.3199 39.0241 176.8227 65 E 3.8649 7.9703 113.0648 57.7368 29.3466 177.2774 66 K 4.3565 7.4809 118.0342 56.1103 33.0463 176.5588 67 L 4.0546 7.3630 119.8379 53.8583 42.1043 176.7397 68 E 3.9133 8.5569 121.0421 56.2283 30.0902 177.1837 69 A 3.9728 8.1923 123.3502 52.2591 19.0321 177.1268 70 I 4.0298 8.0199 122.2481 60.3112 39.0629 176.5326 71 T 4.3401 8.1740 118.2910 61.0288 71.2754 175.4483 72 D 4.3611 8.4452 120.7454 57.2833 40.3978 178.5891 73 E 3.8934 8.0874 119.4569 59.3452 29.7484 178.4102 74 E 4.0157 7.9800 119.3694 59.3635 29.7206 178.5111 75 N 4.5345 8.3117 116.5689 56.2616 38.2983 177.0962 76 D 4.3876 8.0307 119.9667 57.4929 41.1531 178.2990 77 M 4.2156 7.7301 117.7920 57.9985 32.3319 178.4855 78 L 3.9914 8.5168 120.6435 58.1190 41.9173 178.7764 79 D 4.4685 8.0579 118.2713 56.4640 40.6768 176.9323 80 L 4.5265 7.4968 117.2456 54.2872 41.8155 176.3625 81 A 4.5222 7.4627 121.2051 51.2427 19.2054 177.4716 82 Y 4.3856 8.6905 122.7293 58.0491 39.7677 175.7518 83 G 3.5277 8.1972 115.0984 46.1631 0.0000 173.5692 84 L 4.2025 7.8325 119.5602 55.1988 42.9516 175.5833 85 T 4.5715 8.0276 112.0607 60.9947 71.5368 173.2096 86 D 4.6790 8.4720 119.7040 55.1047 41.1740 176.8208 87 R 2.5100 7.7228 118.4753 55.2520 32.1052 174.7285 88 S 5.3868 7.8587 114.2171 57.8209 64.7002 173.6592 89 R 4.7919 9.1077 120.9740 55.1393 35.6398 174.0690 90 L 4.6191 9.0558 120.8777 53.5963 42.2514 178.1395 91 G 4.0315 9.3780 115.9433 49.0543 0.0000 174.1067 92 C 4.4712 8.1247 112.0713 59.6550 29.9238 173.8610 93 Q 4.4225 8.7358 119.2091 55.8495 29.3652 175.0048 94 I 4.4389 7.6541 120.3651 59.9140 38.9511 174.3492 95 C 5.2318 8.5487 124.9062 57.6642 30.3116 173.9550 96 L 4.3302 9.1404 123.7800 55.4549 42.4882 176.3817 97 T 4.9514 8.3312 111.8179 59.5625 72.2285 174.7920 98 K 3.9058 9.0141 122.1013 59.7824 32.2900 179.1605 99 A 4.0889 7.9716 120.1193 55.0585 18.5658 177.9163 100 M 4.2730 8.4211 114.8097 55.8503 32.6694 175.8271 101 D 4.4187 7.9302 119.9407 56.0627 41.5512 176.4533 102 N 4.3037 9.4945 122.8450 53.9062 37.0999 174.0895 103 M 4.4357 8.1699 117.3234 55.6366 32.9639 175.2065 104 T 5.0072 8.5284 115.5390 61.8513 71.5206 174.1276 105 V 4.3121 8.3936 119.7617 59.3289 34.7851 174.8630 106 R 4.9197 8.5318 123.9039 54.6032 33.4568 174.5279 107 V 4.8453 7.7017 115.1495 58.4186 34.0281 174.3077 108 P 4.3643 0.0000 0.0000 63.6781 31.8560 175.9870 109 D 4.6551 8.2507 116.4481 53.8968 39.2495 175.1302 110 A 4.9211 8.1464 125.0919 52.5404 18.7774 177.0216 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 *5 D 8.35 4.68 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 6 K 8.37 4.29 0.00 1.84 1.96 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.51 7.81 7 I 8.63 4.83 1.87 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 1.43 1.32 0.92 0.00 0.00 8 T 8.25 5.05 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 1.12 0.00 0.00 9 V 8.66 4.38 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 0.19 0.00 0.00 0.88 0.00 0.00 10 H 8.63 5.24 0.00 3.04 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 9.75 4.88 0.00 2.87 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 12 I 8.83 4.63 1.86 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 1.10 1.16 0.96 0.00 0.00 13 N 8.75 4.26 0.00 2.68 2.93 0.00 0.00 7.03 7.21 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 14 R 8.62 4.07 0.00 1.86 2.10 0.00 3.28 0.00 0.00 3.65 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 15 D 8.21 4.66 0.00 2.73 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 16 G 8.42 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 0.00 0.00 0.00 0.00 17 E 7.72 3.96 0.00 1.94 1.93 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 2.41 2.66 0.00 18 T 8.50 4.97 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 19 L 9.30 4.72 0.00 1.60 1.58 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.47 5.17 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 1.28 0.00 0.00 21 T 8.49 4.63 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 1.35 0.00 0.00 22 K 8.51 5.19 0.00 1.63 1.70 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 23 G 8.81 4.39 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 0.00 24 K 8.50 4.76 0.00 1.89 1.96 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.48 7.81 25 I 8.19 3.73 1.88 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 1.29 0.42 0.97 0.00 0.00 26 G 8.98 4.22 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 0.00 27 D 7.73 4.48 0.00 2.81 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 28 S 8.74 4.97 0.00 4.16 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 29 L 8.76 4.33 0.00 2.21 2.10 1.18 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.07 4.41 0.00 1.94 1.78 1.14 1.33 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 31 D 8.01 4.38 0.00 2.89 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 32 V 7.73 3.60 2.40 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 1.18 0.00 0.00 1.09 0.00 0.00 33 V 7.51 3.09 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 0.53 0.00 0.00 -0.15 0.00 0.00 34 V 8.04 3.52 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 1.07 0.00 0.00 1.03 0.00 0.00 35 Q 8.54 3.99 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 36 N 7.69 4.69 0.00 2.78 2.78 0.00 0.00 7.13 7.88 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 37 N 8.06 4.13 0.00 2.77 2.82 0.00 0.00 6.94 7.50 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 38 L 7.75 4.07 0.00 1.27 1.32 0.29 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.32 4.47 0.00 2.86 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 40 I 7.19 4.22 1.62 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.89 0.00 0.00 41 D 8.94 4.42 0.00 2.69 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 42 G 8.67 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 0.00 0.00 0.00 43 F 7.45 4.61 0.00 3.10 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 44 G 8.37 3.68 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 0.00 0.00 0.00 45 A 8.64 3.91 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 46 C 8.03 4.36 0.00 3.10 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 47 E 8.45 4.10 0.00 2.18 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 2.25 2.24 0.00 48 G 8.25 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 49 T 7.17 4.55 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 1.30 0.00 0.00 50 L 8.09 3.58 0.00 1.87 1.74 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.94 4.75 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 52 C 7.41 4.55 0.00 3.01 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 53 S 8.46 4.56 0.00 3.80 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 54 T 7.93 3.98 4.42 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 1.17 0.00 0.00 55 C 7.52 2.64 0.00 2.65 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 56 H 7.65 4.78 0.00 3.30 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.40 5.05 0.00 1.79 1.25 1.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.07 4.80 1.82 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.87 0.00 0.00 59 F 9.32 4.66 0.00 2.96 3.11 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 60 E 8.72 4.31 0.00 2.00 1.93 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 2.41 2.48 0.00 61 Q 9.07 4.07 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 62 H 8.33 4.30 0.00 3.39 3.44 0.00 5.58 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.34 3.85 2.08 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 1.22 0.84 1.08 0.00 0.00 64 F 8.64 4.01 0.00 3.18 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 65 E 7.97 3.86 0.00 2.08 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 2.60 2.28 0.00 66 K 7.48 4.36 0.00 1.84 1.81 0.00 1.55 0.00 0.00 1.85 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.39 7.81 67 L 7.36 4.05 0.00 1.28 1.32 0.18 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.56 3.91 0.00 1.88 1.86 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 2.28 2.25 0.00 69 A 8.19 3.97 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 70 I 8.02 4.03 1.84 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 1.47 0.88 0.89 0.00 0.00 71 T 8.17 4.34 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 1.20 0.00 0.00 72 D 8.45 4.36 0.00 2.71 2.75 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 73 E 8.09 3.89 0.00 2.03 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 2.37 2.37 0.00 74 E 7.98 4.02 0.00 2.02 1.93 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 2.32 2.36 0.00 75 N 8.31 4.53 0.00 3.03 2.86 0.00 0.00 7.02 7.60 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 76 D 8.03 4.39 0.00 2.83 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 77 M 7.73 4.22 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.68 0.00 78 L 8.52 3.99 0.00 1.91 1.67 0.88 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.06 4.47 0.00 2.86 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 80 L 7.50 4.53 0.00 1.76 1.68 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 81 A 7.46 4.52 1.20 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 0.00 0.00 82 Y 8.69 4.39 0.00 3.01 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 83 G 8.20 3.53 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 0.00 84 L 7.83 4.20 0.00 1.59 1.57 0.92 0.99 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 85 T 8.03 4.57 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 1.23 0.00 0.00 86 D 8.47 4.68 0.00 2.58 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 87 R 7.72 2.51 0.00 1.45 1.57 0.00 3.06 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.23 0.00 88 S 7.86 5.39 0.00 3.79 3.96 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 89 R 9.11 4.79 0.00 1.85 1.84 0.00 3.41 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 90 L 9.06 4.62 0.00 1.66 1.64 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 91 G 9.38 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.12 4.47 0.00 3.13 3.10 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 93 Q 8.74 4.42 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 94 I 7.65 4.44 2.14 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.10 1.02 0.00 0.00 95 C 8.55 5.23 0.00 2.86 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 96 L 9.14 4.33 0.00 1.71 1.62 1.03 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.33 4.95 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 1.22 0.00 0.00 98 K 9.01 3.91 0.00 1.84 1.93 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.47 7.81 99 A 7.97 4.09 1.30 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 0.00 0.00 0.00 100 M 8.42 4.27 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 101 D 7.93 4.42 0.00 2.80 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 0.00 102 N 9.49 4.30 0.00 2.89 2.96 0.00 0.00 7.08 6.42 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 0.00 103 M 8.17 4.44 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 104 T 8.53 5.01 4.20 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 1.15 0.00 0.00 105 V 8.39 4.31 1.54 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 -0.16 0.00 0.00 0.22 0.00 0.00 106 R 8.53 4.92 0.00 1.82 1.67 0.00 3.02 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 107 V 7.70 4.85 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 0.88 0.00 0.00 1.02 0.00 0.00 108 P 0.00 4.36 0.00 2.12 2.16 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 109 D 8.25 4.66 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 0.00 110 A 8.15 4.92 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.