NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 D 4.4955 8.3644 120.1951 54.7390 43.4541 173.0584 12 H 3.9882 8.1783 113.9259 52.2316 30.9364 174.4332 13 I 3.9033 8.0992 120.8557 63.2413 38.7655 176.6789 14 S 4.3628 8.2773 115.7223 60.5134 63.4188 175.4657 15 L 4.4564 7.7124 118.4456 55.0858 41.3855 176.3659 16 N 4.8971 8.0282 116.1305 50.4828 39.5459 173.1817 17 P 4.2437 0.0000 0.0000 65.6981 31.5388 178.3992 18 D 4.6635 8.1732 115.8892 56.8773 40.7801 177.5924 19 L 4.2969 7.7344 116.9256 55.1821 42.3942 176.5632 20 A 4.5811 8.0155 121.7532 50.0552 20.4585 176.4388 21 N 4.3119 8.7306 118.9887 54.2333 39.5693 175.9479 22 E 3.9724 8.7126 123.2271 59.3798 29.3774 179.2273 23 D 4.3470 8.2159 117.6835 56.6831 40.7288 178.0412 24 E 4.1234 7.9328 120.3994 59.4453 29.6463 179.0349 25 V 2.6671 7.2924 109.9618 62.9583 31.7496 177.0970 26 N 4.6545 8.0000 114.9028 52.3136 39.2892 174.5161 27 S 4.7507 7.2113 116.2029 56.7219 63.7961 174.3842 28 C 4.5375 8.7454 123.6507 59.3773 40.1117 174.4123 29 D 4.3589 8.0454 118.5454 55.3033 41.1433 176.2646 30 Y 4.3828 8.0696 121.7731 57.4768 39.1932 176.8821 31 W 4.3115 8.5566 124.2009 59.6078 27.9251 177.0359 32 R 3.5949 5.8400 111.7336 56.6080 29.3947 176.0040 33 H 5.1584 8.0020 116.4922 56.1674 28.9774 174.1425 34 C 4.5695 8.3572 116.0606 57.1374 42.3296 174.0901 35 A 4.8127 7.7296 120.8068 50.4140 19.8518 175.8875 36 V 3.3887 7.4718 119.1251 63.9766 32.9729 174.6969 37 D 4.7352 8.8903 126.7358 51.0324 41.4422 176.5733 38 G 3.9572 7.4269 115.7639 45.8927 0.0000 169.1779 39 F 5.3404 8.1208 120.5049 55.2004 41.9334 174.6051 40 L 4.4642 8.5003 125.5863 54.8567 41.8535 177.8366 41 C 4.3685 9.1185 122.4411 59.8039 40.3052 175.8577 42 S 4.3508 7.9893 111.8152 59.6280 62.5540 175.1371 43 C 4.8409 8.0457 117.3536 57.1901 40.7562 173.3888 44 C 4.7987 8.5841 117.2069 56.6246 40.2401 174.9957 45 G 3.8733 8.8130 107.4107 45.1629 0.0000 174.3805 46 G 4.3903 7.5982 109.6957 44.5180 0.0000 170.9116 47 T 4.9334 8.2127 109.8304 60.3511 72.2217 174.5702 48 T 3.9063 8.5365 116.6361 66.4016 68.4255 175.7766 49 T 4.5453 7.8101 108.1487 60.8204 69.7855 173.5055 50 T 4.6278 7.5924 112.4659 59.9755 71.4010 172.8511 51 C 4.7028 8.6950 122.7746 56.0121 41.4103 171.9576 52 P 4.6420 0.0000 0.0000 61.5528 31.6651 174.1283 53 P 4.3623 0.0000 0.0000 64.7425 31.4325 177.1912 54 G 3.9429 9.0777 111.5852 44.9297 0.0000 172.9654 55 S 4.8671 7.6070 113.9766 57.1460 65.2554 173.7260 56 T 4.6288 9.2429 119.5658 61.1467 70.4487 172.4900 57 P 4.8423 0.0000 0.0000 62.7773 32.1221 176.0560 58 S 5.0287 8.9353 118.5546 56.1835 63.8684 172.9147 59 P 4.3518 0.0000 0.0000 64.7678 31.5739 176.1705 60 I 4.4808 7.2777 111.5217 59.4033 40.8108 175.5659 61 S 3.7245 6.9072 119.1812 58.1850 66.6557 177.9374 *63 I 4.1800 8.5784 119.0100 60.9627 37.8235 174.0749 64 G 4.4648 9.2332 112.8663 44.7864 0.0000 171.9386 65 T 5.1030 8.6858 118.5269 62.1232 70.1237 174.3555 66 C 5.1797 9.4374 124.8161 55.4097 43.6312 172.5819 67 H 5.3488 8.8254 121.4972 54.2606 30.9787 174.0311 68 N 3.8076 8.8946 126.3322 51.3400 38.5996 173.7752 69 P 4.2974 0.0000 0.0000 64.7051 31.7034 177.1797 70 H 4.4031 8.1557 116.5005 57.2159 28.9628 175.5108 71 D 4.6799 7.5062 115.0527 51.8041 40.1837 176.2616 72 G 3.8354 7.9526 107.1311 46.2064 0.0000 173.7120 73 K 4.5104 8.2560 119.4324 54.8520 34.9105 174.9518 74 D 5.4421 8.1912 121.2393 53.2722 43.1765 175.2598 75 Y 4.9855 9.4909 119.5453 56.1329 42.6668 174.4589 76 L 4.8775 9.2684 122.5110 54.2660 43.4172 175.8246 77 I 4.6923 9.1146 124.7723 59.3899 40.3707 174.3992 78 S 4.4756 9.1035 122.9897 57.1603 63.6888 172.7930 79 Y 5.3454 8.1721 126.4524 56.6183 36.5038 174.6637 80 H 4.6575 8.3371 120.2426 55.3277 31.0486 173.9517 81 D 5.5524 9.0629 120.9834 53.3254 44.2428 174.4846 82 C 5.4104 9.0959 117.8405 55.7253 41.1921 172.8216 83 C 5.4957 10.0808 121.3590 55.4169 44.0759 174.9257 84 G 3.8192 9.6055 107.7448 45.4565 0.0000 173.5571 85 K 4.6230 7.2464 117.0598 54.3083 36.1681 176.0720 86 T 4.0348 8.3338 110.9164 60.8306 69.4423 173.8187 87 A 3.8141 8.5109 123.9534 52.8554 18.8448 178.5317 88 C 3.9400 8.4105 123.6685 57.6979 43.7919 175.4831 89 G 3.1986 5.6578 104.4784 45.2896 0.0000 172.8763 90 R 4.4760 6.7422 117.6092 55.4017 33.0857 175.3684 91 C 4.0938 8.7861 118.1741 58.1376 37.2076 172.8044 92 Q 4.6868 7.9519 119.9981 56.4260 29.9697 176.7218 93 C 5.0197 9.3115 123.2492 55.4249 44.7496 172.9303 94 N 5.3747 8.5366 119.4451 52.1997 38.7840 172.3371 95 T 4.6114 9.0289 119.4357 61.0157 71.9520 174.4692 96 Q 4.7266 8.3429 122.3509 55.7672 31.0575 175.0418 97 T 3.9353 7.8450 116.6744 65.4225 68.5768 174.0883 98 R 3.9148 8.8021 123.4370 56.7200 27.8173 175.7474 99 E 4.4239 8.3794 119.7086 56.2653 30.2071 176.1951 100 R 4.7703 8.5482 123.9030 53.4359 34.9523 173.1531 101 P 4.2079 0.0000 0.0000 62.0920 32.1554 177.5968 102 G 3.6692 8.1780 109.2935 48.9137 0.0000 174.4004 103 Y 4.3350 7.1954 115.7928 58.5753 38.8966 175.5755 104 E 4.8570 7.8337 119.9680 55.0591 30.2809 176.0609 105 F 3.9784 8.2644 125.9799 61.7236 39.9213 176.7060 106 F 4.4464 8.1073 114.5153 57.9864 38.6791 175.7035 107 L 4.8714 8.2922 119.5393 54.4669 42.8043 175.0623 108 H 5.5647 8.3550 119.3893 54.0492 30.6767 174.5254 109 N 4.9705 8.9680 125.1075 53.0131 37.4574 174.6975 110 D 4.6803 7.3882 115.4637 54.6700 41.4146 176.3653 111 V 4.0509 6.6844 111.5483 58.8263 35.1632 174.8814 112 N 4.0091 8.1902 122.2270 53.5421 38.6954 174.9631 113 W 4.5060 8.2657 125.0768 57.7471 29.0838 176.4266 114 C 4.8601 8.4097 116.1142 56.8406 40.2483 175.2339 115 M 3.7764 7.8361 117.8447 57.9363 30.4821 177.1499 116 A 4.5463 7.9377 118.7808 51.9139 20.0951 176.6386 117 N 4.6848 8.1629 114.4129 52.4065 39.3666 175.6550 118 E 4.0049 8.8876 120.9740 58.8216 29.6850 176.9714 119 N 4.9301 7.8691 115.8728 51.7908 41.2699 173.6235 120 S 4.7194 8.8048 119.4741 58.8608 63.8838 174.0806 121 T 4.1511 8.0070 113.6444 61.7476 69.6171 173.5507 122 F 4.4323 9.0430 129.2112 58.9099 39.9022 173.1303 123 H 4.8078 8.5451 125.5897 57.1430 31.2670 171.7413 124 C 4.8096 7.1368 109.9079 54.9242 46.3832 171.6238 125 T 5.3030 9.9266 116.9423 62.1211 70.8960 174.1793 126 T 4.8620 9.0336 115.5847 60.3972 72.2651 173.5881 127 S 4.5734 8.5508 118.1162 56.5218 63.6296 172.6619 128 V 3.8330 8.4607 123.7921 61.8046 33.0345 174.2605 129 L 4.2800 8.3413 130.3477 55.0005 41.9711 176.2516 130 V 3.7733 8.8425 127.5734 64.0693 32.1457 176.3092 131 G 4.1212 7.5663 104.0368 46.2131 0.0000 170.8321 132 L 4.2062 8.3863 119.3371 54.6480 42.4334 177.0570 133 A 4.4291 8.1650 124.8525 51.1056 19.5206 177.7248 134 K 4.1552 8.3323 121.2730 56.8702 32.9732 176.4102 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 11 D 8.36 4.50 0.00 2.68 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 12 H 8.18 3.99 0.00 3.39 3.38 0.00 5.73 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 13 I 8.10 3.90 1.89 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 1.44 0.74 0.90 0.00 0.00 14 S 8.28 4.36 0.00 3.79 4.08 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 15 L 7.71 4.46 0.00 1.79 1.72 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.03 4.90 0.00 2.87 2.91 0.00 0.00 6.95 7.64 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 17 P 0.00 4.24 0.00 2.17 2.07 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 18 D 8.17 4.66 0.00 2.66 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 19 L 7.73 4.30 0.00 1.91 1.74 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.02 4.58 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 21 N 8.73 4.31 0.00 2.81 2.91 0.00 0.00 7.11 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 22 E 8.71 3.97 0.00 2.01 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 2.36 2.37 0.00 23 D 8.22 4.35 0.00 2.63 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 24 E 7.93 4.12 0.00 2.18 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 2.55 2.46 0.00 25 V 7.29 2.67 1.61 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 0.08 0.00 0.00 0.77 0.00 0.00 26 N 8.00 4.65 0.00 2.73 2.83 0.00 0.00 6.84 8.12 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 27 S 7.21 4.75 0.00 3.98 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 28 C 8.75 4.54 0.00 3.04 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 D 8.05 4.36 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 30 Y 8.07 4.38 0.00 3.23 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 31 W 8.56 4.31 0.00 3.62 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 32 R 5.84 3.59 0.00 1.08 0.66 0.00 2.88 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.23 0.00 33 H 8.00 5.16 0.00 3.41 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 C 8.36 4.57 0.00 3.08 3.63 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 35 A 7.73 4.81 1.07 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 36 V 7.47 3.39 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 0.95 0.00 0.00 1.03 0.00 0.00 37 D 8.89 4.74 0.00 2.46 2.38 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 38 G 7.43 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 0.00 0.00 0.00 39 F 8.12 5.34 0.00 3.08 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 40 L 8.50 4.46 0.00 1.75 1.57 0.96 0.56 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 41 C 9.12 4.37 0.00 3.13 3.14 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 42 S 7.99 4.35 0.00 3.93 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 43 C 8.05 4.84 0.00 3.04 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 44 C 8.58 4.80 0.00 2.84 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 45 G 8.81 3.87 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 0.00 0.00 0.00 46 G 7.60 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 47 T 8.21 4.93 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 1.19 0.00 0.00 48 T 8.54 3.91 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 1.27 0.00 0.00 49 T 7.81 4.55 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 1.18 0.00 0.00 50 T 7.59 4.63 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 51 C 8.70 4.70 0.00 2.99 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 52 P 0.00 4.64 0.00 2.21 2.18 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 53 P 0.00 4.36 0.00 2.01 2.01 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 54 G 9.08 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.61 4.87 0.00 3.93 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 56 T 9.24 4.63 4.27 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 1.28 0.00 0.00 57 P 0.00 4.84 0.00 1.94 1.98 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 58 S 8.94 5.03 0.00 4.15 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 59 P 0.00 4.35 0.00 2.26 2.27 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 60 I 7.28 4.48 2.05 0.00 0.00 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 1.74 1.25 1.10 0.00 0.00 61 S 6.91 3.72 0.00 3.65 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 *63 I 8.58 4.18 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.97 0.00 0.00 64 G 9.23 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.69 5.10 4.31 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 1.27 0.00 0.00 66 C 9.44 5.18 0.00 3.12 3.38 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 67 H 8.83 5.35 0.00 3.21 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.89 3.81 0.00 1.44 2.55 0.00 0.00 6.53 7.37 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 69 P 0.00 4.30 0.00 2.07 2.11 0.00 3.39 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.95 0.00 70 H 8.16 4.40 0.00 3.00 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.51 4.68 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 73 K 8.26 4.51 0.00 1.57 1.33 0.00 1.78 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.55 7.81 74 D 8.19 5.44 0.00 2.54 2.59 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 75 Y 9.49 4.99 0.00 3.19 2.96 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 76 L 9.27 4.88 0.00 1.72 1.59 0.93 0.82 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 77 I 9.11 4.69 1.50 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.10 0.00 0.00 78 S 9.10 4.48 0.00 3.74 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 79 Y 8.17 5.35 0.00 2.82 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 80 H 8.34 4.66 0.00 3.11 3.25 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 9.06 5.55 0.00 2.88 2.94 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 0.00 0.00 0.00 82 C 9.10 5.41 0.00 2.87 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 83 C 10.08 5.50 0.00 2.79 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 84 G 9.61 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 85 K 7.25 4.62 0.00 1.37 1.50 0.00 1.52 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.30 7.81 86 T 8.33 4.03 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 1.21 0.00 0.00 87 A 8.51 3.81 1.28 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 0.00 0.00 88 C 8.41 3.94 0.00 2.47 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 G 5.66 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 0.00 0.00 0.00 90 R 6.74 4.48 0.00 1.83 1.80 0.00 3.25 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 91 C 8.79 4.09 0.00 3.21 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 92 Q 7.95 4.69 0.00 2.24 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.75 0.00 0.00 0.00 0.00 0.00 1.98 2.36 0.00 93 C 9.31 5.02 0.00 2.76 2.86 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 0.00 0.00 0.00 94 N 8.54 5.37 0.00 2.56 2.60 0.00 0.00 6.90 7.70 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 95 T 9.03 4.61 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 1.22 0.00 0.00 96 Q 8.34 4.73 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 97 T 7.84 3.94 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 1.27 0.00 0.00 98 R 8.80 3.91 0.00 2.02 2.08 0.00 3.40 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 99 E 8.38 4.42 0.00 1.99 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 2.47 2.49 0.00 100 R 8.55 4.77 0.00 1.74 1.69 0.00 3.40 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 101 P 0.00 4.21 0.00 0.72 1.64 0.00 3.24 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 1.99 1.96 0.00 102 G 8.18 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.20 4.33 0.00 3.04 3.12 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 0.00 0.00 0.00 104 E 7.83 4.86 0.00 2.11 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 2.44 2.44 0.00 105 F 8.26 3.98 0.00 2.94 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 0.00 106 F 8.11 4.45 0.00 3.15 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 0.00 107 L 8.29 4.87 0.00 1.72 1.67 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 108 H 8.35 5.56 0.00 3.18 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.97 4.97 0.00 2.68 2.76 0.00 0.00 6.89 8.70 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 0.00 110 D 7.39 4.68 0.00 2.33 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 0.00 111 V 6.68 4.05 1.50 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 0.56 0.00 0.00 -0.31 0.00 0.00 112 N 8.19 4.01 0.00 2.61 2.57 0.00 0.00 7.22 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 0.00 113 W 8.27 4.51 0.00 3.52 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 0.00 114 C 8.41 4.86 0.00 3.39 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 0.00 115 M 7.84 3.78 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.59 0.00 116 A 7.94 4.55 1.42 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 0.00 0.00 117 N 8.16 4.68 0.00 3.13 2.81 0.00 0.00 6.54 7.12 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 0.00 118 E 8.89 4.00 0.00 1.95 2.03 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 2.32 2.34 0.00 119 N 7.87 4.93 0.00 2.68 2.65 0.00 0.00 6.98 7.63 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 0.00 120 S 8.80 4.72 0.00 4.06 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 0.00 121 T 8.01 4.15 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 1.39 0.00 0.00 122 F 9.04 4.43 0.00 3.23 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 0.00 123 H 8.55 4.81 0.00 3.33 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 C 7.14 4.81 0.00 3.19 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 0.00 125 T 9.93 5.30 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 126 T 9.03 4.86 4.49 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 1.27 0.00 0.00 127 S 8.55 4.57 0.00 3.76 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 0.00 128 V 8.46 3.83 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 0.86 0.00 0.00 0.92 0.00 0.00 129 L 8.34 4.28 0.00 1.58 1.53 0.95 0.96 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 0.00 130 V 8.84 3.77 2.20 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 0.77 0.00 0.00 0.88 0.00 0.00 131 G 7.57 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.39 4.21 0.00 1.46 1.43 0.84 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 133 A 8.16 4.43 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.33 4.16 0.00 1.57 1.61 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.