NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.4042 8.2027 121.7110 55.9137 31.0095 176.4826 4 I 3.8551 7.7419 118.4556 62.5396 38.1689 173.7849 5 E 4.1700 8.8637 118.2864 58.2551 29.9927 178.0246 6 D 4.4958 7.8341 119.4041 57.1989 41.4140 178.5297 7 K 4.0912 7.6201 117.3465 59.5253 31.8898 179.0865 8 I 3.9414 7.7808 119.1355 63.1648 36.9403 177.2587 9 E 4.2649 8.5126 120.6610 57.7283 29.5502 177.9798 10 E 4.0346 7.9970 117.6158 59.4621 30.1473 178.7659 11 I 3.7071 7.8685 120.8639 63.9750 36.9542 178.3506 12 L 4.1360 7.6696 118.4445 57.4320 41.3874 179.6872 13 S 4.1445 7.7609 115.3815 61.8836 62.8605 175.9739 14 K 3.8659 8.3093 120.7466 60.0116 31.5779 178.8464 15 I 3.8374 7.7532 120.4250 65.0584 37.0511 177.6053 16 Y 4.1186 7.7556 120.2626 60.9829 38.6997 177.5011 17 H 4.3102 8.4100 117.5344 58.4267 28.5014 177.0362 18 I 4.1074 8.3440 113.2784 62.1349 37.1747 177.3209 19 E 4.1662 7.6460 120.5846 58.7504 29.6073 178.3045 20 N 4.2473 7.6530 116.3769 56.1430 38.5399 177.1219 21 E 3.9076 8.0994 119.4055 59.5521 29.7066 179.0296 22 I 3.5993 7.3719 118.2529 64.6195 36.9838 178.1808 23 A 3.9259 7.3797 118.9536 55.2823 18.6908 179.3616 24 R 4.0089 7.9530 116.5120 59.5399 30.1497 179.1972 25 I 3.7150 8.4928 122.0680 65.1987 36.9849 179.2237 26 K 4.0429 8.0571 125.1521 60.3331 31.3996 181.4216 27 K 4.3714 7.6245 122.1863 60.1215 31.8635 183.1369 28 L 4.4486 8.0046 122.9502 58.1972 41.4380 180.3802 29 I 4.0884 7.4303 114.6593 62.8839 35.2043 179.2566 30 G 3.8550 8.3523 114.9000 50.2367 0.0000 176.2710 31 E 4.3280 7.8517 117.0752 53.8090 27.6512 177.9482 32 A 4.4975 7.5808 121.2791 52.9844 23.1681 177.9591 *51 D 4.7697 6.9998 115.2826 54.4412 42.5322 177.2038 52 G 3.8440 7.6758 104.7736 46.0088 0.0000 174.4460 53 L 4.6878 7.9474 122.7141 57.7230 41.9240 178.2067 54 I 3.9571 7.6025 117.8941 63.6919 37.6695 177.4291 55 E 4.1355 8.0661 119.0540 59.0323 29.3539 179.1410 56 G 3.7290 9.6170 105.9682 47.0256 0.0000 175.6456 57 L 4.1663 7.5983 124.5514 58.5985 41.8444 179.5741 58 R 4.1823 8.3507 120.2240 60.5353 29.3289 180.5203 59 Q 4.5320 7.6308 116.2745 58.4835 29.3882 177.4259 60 L 3.9306 7.7845 121.0573 57.9854 41.7904 178.6223 61 A 4.0297 7.9519 119.5640 53.9877 18.3332 178.9415 62 N 4.3460 7.4565 116.4110 56.4094 39.2733 176.8063 63 E 3.9590 8.0548 119.8437 59.7336 29.6171 179.3219 64 T 3.8689 7.8885 115.5627 67.3028 68.4021 176.7590 65 T 3.9688 7.3746 114.9176 66.3974 68.1480 176.3638 66 Q 4.1590 7.9221 119.8409 58.6936 28.4644 178.1483 67 A 4.0852 8.3086 121.6892 54.7335 18.2732 179.5200 68 L 4.3308 8.1574 117.6352 57.5728 41.6049 179.1132 69 Q 4.1869 7.7885 117.0867 58.0183 28.7778 177.9766 70 L 4.0869 7.8261 119.5911 57.0927 41.7309 178.9228 71 F 4.2452 7.8704 116.9698 60.0981 38.9202 177.6106 72 L 4.0203 7.9532 120.2297 58.0719 41.6908 178.9853 73 R 3.8715 7.9146 117.9353 59.0897 30.0605 178.6367 74 A 3.9794 8.0597 120.1203 55.7806 18.6483 179.7081 75 T 3.9211 8.5922 114.7926 67.1342 68.5572 176.8318 76 T 4.1259 8.1076 111.3285 64.3788 68.9423 176.8180 77 E 4.0291 7.9415 121.9744 59.2691 29.4755 179.1164 78 L 4.1371 8.0873 119.1673 57.6064 41.6625 179.5077 79 R 3.9365 7.9869 118.2517 59.7581 30.1012 178.5851 80 T 3.8667 7.8713 115.3613 66.7980 68.4108 176.2452 81 F 4.2592 8.3664 122.6502 61.4908 39.4478 177.2142 82 S 4.0729 8.4519 113.5573 61.0332 62.8585 176.3708 83 I 3.9193 7.7377 123.4925 63.6876 36.6300 177.8377 84 L 3.9705 7.7921 121.4748 57.7332 42.0351 178.3251 85 N 4.2898 7.6263 116.1901 55.2598 38.3854 176.9911 86 R 4.0517 7.4289 119.0034 58.5126 29.8163 178.1700 87 K 3.9308 7.7240 119.6511 59.2151 32.1593 178.7583 88 A 4.0487 7.7510 121.0959 55.2733 18.2894 179.7647 89 I 3.8077 7.7273 117.7631 64.3501 36.8459 178.3736 90 D 4.4650 8.1767 119.6720 56.8009 41.0549 178.3077 91 F 4.3373 7.9457 120.8474 61.4702 39.3120 177.2859 92 L 3.9715 7.8941 117.0310 57.6815 41.7905 178.0991 93 L 4.7824 7.8868 116.6446 54.9171 42.0575 178.3983 94 Q 3.9375 8.2639 124.8606 59.9915 29.0279 179.9238 95 R 4.5033 7.6085 115.1228 55.3674 28.7097 179.2392 96 W 4.8681 8.1776 114.4136 58.5348 32.5996 175.8589 97 G 3.6984 7.9075 107.4636 44.7111 0.0000 174.9770 98 G 4.0874 8.3147 104.8483 45.5258 0.0000 174.9100 99 T 3.8468 8.6116 115.3050 67.0368 68.2131 177.4357 100 C 4.1227 8.3416 117.1737 59.6543 39.9028 175.4468 101 H 4.2955 8.0573 119.5219 58.9691 29.8474 176.8187 102 I 3.8983 7.7221 119.5619 63.3967 37.1994 177.2885 103 L 4.3899 8.7450 119.1667 56.1956 42.9932 177.0863 104 G 3.8540 8.0083 104.8072 43.9166 0.0000 172.0742 105 P 4.4046 0.0000 0.0000 64.9147 31.4247 177.7329 106 D 4.4971 8.0945 117.6808 56.3581 40.5256 176.7473 107 C 4.4482 7.8305 113.9490 57.8100 41.6456 175.3835 108 R 3.9790 7.8356 120.1011 57.2024 30.1597 177.1148 109 I 3.8184 7.1356 120.1126 61.3667 37.5401 175.0020 110 E 4.7025 8.2508 124.5853 53.6312 32.7887 172.4743 111 P 4.4992 0.0000 0.0000 62.3750 32.2760 176.0487 112 H 4.3155 8.6506 119.4157 55.7810 29.3082 174.9913 113 D 4.7190 7.9739 120.7919 53.0936 40.1155 175.7148 114 W 4.5677 8.5108 123.4353 56.7435 29.2016 177.4800 115 T 3.9519 7.9997 117.6718 66.9725 67.9147 176.0164 116 K 3.9546 7.9826 120.4450 59.5371 32.2363 178.2016 117 N 4.3394 8.2499 116.2295 56.7555 38.6469 177.2161 118 I 3.7933 8.2676 121.1670 64.6218 37.1604 178.6749 119 T 3.8854 8.2260 116.8488 66.9366 68.4817 176.3873 120 D 4.4901 8.8784 123.4368 57.9493 40.7669 179.7901 121 K 4.1158 7.9731 124.2975 59.7826 31.2363 182.0154 122 I 4.0251 7.8310 120.6174 64.1661 36.9580 178.1209 123 D 4.5132 8.0949 119.8437 56.6276 40.6763 178.6499 124 Q 3.9659 7.8939 119.9618 59.4126 29.2670 177.8442 125 I 3.8804 7.7555 120.8439 64.9916 37.0411 178.2142 126 I 3.8074 7.6397 119.5111 64.2874 36.8176 177.4906 127 H 4.0491 8.2746 118.6574 59.8750 29.8010 176.6819 128 D 4.3823 8.6149 119.1748 56.5898 40.6060 177.5696 129 F 4.6475 8.4168 116.4517 58.8756 40.6365 178.2261 130 V 3.7714 7.8548 116.7888 64.6574 31.7827 177.0918 131 D 4.4551 8.4935 120.3055 56.0519 41.1062 177.0905 132 K 4.1844 7.3575 125.2491 54.4533 32.2823 181.2343 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 Q 8.20 4.40 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 4 I 7.74 3.86 1.87 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 1.64 1.34 0.91 0.00 0.00 5 E 8.86 4.17 0.00 1.97 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 2.31 2.40 0.00 6 D 7.83 4.50 0.00 2.87 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 7 K 7.62 4.09 0.00 1.98 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 8 I 7.78 3.94 1.95 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 1.41 1.25 0.91 0.00 0.00 9 E 8.51 4.26 0.00 2.20 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 2.25 2.33 0.00 10 E 8.00 4.03 0.00 2.24 2.33 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 2.50 2.41 0.00 11 I 7.87 3.71 1.94 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 1.53 1.16 0.92 0.00 0.00 12 L 7.67 4.14 0.00 1.97 1.71 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.76 4.14 0.00 4.02 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 14 K 8.31 3.87 0.00 2.00 1.86 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.59 7.81 15 I 7.75 3.84 1.91 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 0.73 0.93 0.00 0.00 16 Y 7.76 4.12 0.00 3.07 3.04 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 17 H 8.41 4.31 0.00 3.39 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.34 4.11 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 1.52 0.81 0.99 0.00 0.00 19 E 7.65 4.17 0.00 2.06 1.87 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 2.25 2.45 0.00 20 N 7.65 4.25 0.00 2.88 2.79 0.00 0.00 6.89 8.03 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 21 E 8.10 3.91 0.00 1.95 1.98 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 2.39 2.42 0.00 22 I 7.37 3.60 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.02 0.89 0.00 0.00 23 A 7.38 3.93 1.32 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 24 R 7.95 4.01 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 25 I 8.49 3.72 2.10 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.90 0.00 0.00 26 K 8.06 4.04 0.00 1.86 1.75 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.34 7.81 27 K 7.62 4.37 0.00 1.89 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 28 L 8.00 4.45 0.00 1.70 1.72 0.92 0.91 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 29 I 7.43 4.09 1.87 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 1.57 0.62 0.91 0.00 0.00 30 G 8.35 3.85 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 0.00 0.00 0.00 31 E 7.85 4.33 0.00 2.00 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 0.00 2.22 1.87 0.00 32 A 7.58 4.50 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 *51 D 7.00 4.77 0.00 2.75 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 52 G 7.68 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 53 L 7.95 4.69 0.00 1.76 1.70 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.60 3.96 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.92 0.00 0.00 55 E 8.07 4.14 0.00 2.12 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 2.41 2.38 0.00 56 G 9.62 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 57 L 7.60 4.17 0.00 2.10 1.90 0.98 1.19 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 58 R 8.35 4.18 0.00 1.87 1.92 0.00 3.31 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 59 Q 7.63 4.53 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 60 L 7.78 3.93 0.00 1.93 1.61 0.89 1.17 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 61 A 7.95 4.03 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 62 N 7.46 4.35 0.00 3.13 2.91 0.00 0.00 7.02 7.53 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 63 E 8.05 3.96 0.00 2.04 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 2.43 2.56 0.00 64 T 7.89 3.87 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 1.17 0.00 0.00 65 T 7.37 3.97 4.55 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 66 Q 7.92 4.16 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 67 A 8.31 4.09 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 68 L 8.16 4.33 0.00 1.77 1.78 0.91 0.61 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 69 Q 7.79 4.19 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 70 L 7.83 4.09 0.00 1.63 1.47 0.82 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 71 F 7.87 4.25 0.00 3.27 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 72 L 7.95 4.02 0.00 1.77 1.86 1.00 1.11 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 73 R 7.91 3.87 0.00 1.99 1.93 0.00 3.15 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 74 A 8.06 3.98 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 T 8.59 3.92 4.56 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 1.28 0.00 0.00 76 T 8.11 4.13 4.29 0.00 0.00 0.00 0.00 0.00 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 77 E 7.94 4.03 0.00 2.15 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 2.33 2.59 0.00 78 L 8.09 4.14 0.00 1.93 1.80 0.97 0.73 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 79 R 7.99 3.94 0.00 2.00 2.13 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 80 T 7.87 3.87 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 1.28 0.00 0.00 81 F 8.37 4.26 0.00 3.19 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 82 S 8.45 4.07 0.00 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 0.00 83 I 7.74 3.92 2.07 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 1.42 0.94 0.91 0.00 0.00 84 L 7.79 3.97 0.00 1.99 1.54 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.63 4.29 0.00 2.72 2.72 0.00 0.00 6.51 7.53 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 86 R 7.43 4.05 0.00 1.96 2.07 0.00 3.15 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 87 K 7.72 3.93 0.00 1.95 1.77 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 88 A 7.75 4.05 1.35 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 0.00 0.00 0.00 89 I 7.73 3.81 2.06 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 1.52 1.43 0.91 0.00 0.00 90 D 8.18 4.46 0.00 2.91 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 91 F 7.95 4.34 0.00 3.15 3.34 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 0.00 92 L 7.89 3.97 0.00 1.80 1.85 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.89 4.78 0.00 1.81 1.76 0.88 0.97 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 94 Q 8.26 3.94 0.00 2.26 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.17 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 95 R 7.61 4.50 0.00 1.87 1.79 0.00 3.35 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 96 W 8.18 4.87 0.00 3.57 3.03 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 97 G 7.91 3.70 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 0.00 0.00 0.00 98 G 8.31 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 99 T 8.61 3.85 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 1.21 0.00 0.00 100 C 8.34 4.12 0.00 2.99 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 0.00 101 H 8.06 4.30 0.00 3.28 3.49 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.72 3.90 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.74 0.74 0.00 0.00 103 L 8.75 4.39 0.00 1.63 1.70 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.01 3.85 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 0.00 0.00 0.00 105 P 0.00 4.40 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 106 D 8.09 4.50 0.00 2.68 2.71 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 0.00 107 C 7.83 4.45 0.00 3.14 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 3.98 0.00 1.91 2.03 0.00 3.34 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 109 I 7.14 3.82 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 1.19 0.47 0.92 0.00 0.00 110 E 8.25 4.70 0.00 1.84 1.71 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 2.17 2.28 0.00 111 P 0.00 4.50 0.00 2.28 2.11 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 112 H 8.65 4.32 0.00 2.70 2.80 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.97 4.72 0.00 2.58 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 0.00 114 W 8.51 4.57 0.00 3.47 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 0.00 115 T 8.00 3.95 4.28 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 1.26 0.00 0.00 116 K 7.98 3.95 0.00 1.83 1.81 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.67 7.81 117 N 8.25 4.34 0.00 3.23 3.06 0.00 0.00 7.10 7.32 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 0.00 118 I 8.27 3.79 2.05 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 1.57 1.30 0.96 0.00 0.00 119 T 8.23 3.89 4.41 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 1.24 0.00 0.00 120 D 8.88 4.49 0.00 2.88 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 0.00 121 K 7.97 4.12 0.00 1.71 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 122 I 7.83 4.03 2.05 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 1.54 1.12 0.97 0.00 0.00 123 D 8.09 4.51 0.00 2.90 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 0.00 124 Q 7.89 3.97 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 125 I 7.76 3.88 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.83 0.00 0.00 126 I 7.64 3.81 2.06 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 1.45 0.65 0.96 0.00 0.00 127 H 8.27 4.05 0.00 3.19 3.53 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 8.61 4.38 0.00 3.12 2.36 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 0.00 129 F 8.42 4.65 0.00 3.21 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 0.00 130 V 7.85 3.77 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 0.95 0.00 0.00 0.96 0.00 0.00 131 D 8.49 4.46 0.00 2.68 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 0.00 132 K 7.36 4.18 0.00 1.61 1.53 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.