NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6803 8.3649 120.3386 52.7374 41.0138 175.6102 6 F 4.0586 8.8865 117.7240 57.3059 40.0386 171.8501 7 E 3.5662 8.5214 122.2749 56.2187 29.6494 174.6143 8 E 4.5475 9.1417 130.6941 57.3055 28.7119 172.5068 9 K 4.5013 8.1903 126.6923 54.4175 34.2339 174.7535 10 M 4.5280 8.4820 126.0512 55.4869 33.3676 175.1734 11 I 4.7564 7.6265 125.6951 60.5013 40.9913 173.9280 12 L 3.6097 7.4566 122.0431 51.6186 43.7886 176.7377 13 I 5.6462 8.4867 126.1981 58.9177 40.7884 174.5747 14 R 4.7223 8.8198 122.8657 54.4310 33.0567 174.8659 15 R 5.0444 8.5780 121.4308 54.7738 30.2437 176.9923 16 T 4.4934 8.1392 121.8063 62.1970 70.9915 173.2741 17 A 4.2998 8.0640 121.8044 52.1196 22.6690 175.6378 18 R 4.5634 7.4961 114.9575 55.6098 33.4871 173.6630 19 M 4.8006 8.1181 117.6312 53.8740 35.6978 175.2085 20 Q 4.3526 9.2930 120.2440 55.5995 32.6741 173.4502 21 A 3.4698 8.6358 125.7003 51.3186 19.7678 177.7204 22 G 3.8954 8.4024 109.8821 44.7637 0.0000 173.8724 23 G 4.1933 6.2488 112.5654 45.0196 0.0000 171.7878 24 R 4.9822 8.0058 115.6249 54.1569 31.9814 175.2224 25 R 4.6360 7.9224 118.6128 54.5176 34.2816 174.6553 26 F 4.6162 8.7574 119.8467 56.1842 41.9702 173.7805 27 R 4.4969 7.6242 118.6509 55.6879 33.9224 172.7881 28 F 5.2995 9.2911 118.1908 55.7982 44.0776 174.1985 29 G 4.7306 9.2634 107.0068 44.7156 0.0000 172.6735 30 A 4.7347 8.3910 125.4246 50.0467 19.8721 173.1986 31 L 4.3833 8.3528 123.0829 54.3566 43.7782 175.8933 32 V 4.7095 8.5341 125.3460 61.2613 35.6364 174.4450 33 V 4.7726 8.2467 125.6242 61.5324 34.6694 174.6782 34 V 4.7259 8.7236 123.0089 61.4170 34.7445 174.0088 35 G 5.0733 8.8285 113.9246 44.0718 0.0000 171.9264 36 D 5.1339 8.5750 119.5843 53.9735 39.8703 176.3060 37 R 3.9261 7.9462 115.5072 58.3260 28.2016 177.0638 38 Q 4.4199 8.6004 113.2938 56.0498 31.1787 176.0311 39 G 4.0932 8.2521 105.0063 44.9516 0.0000 173.4059 40 R 5.0851 8.0868 118.4519 53.3004 33.3353 174.9225 41 V 5.5560 7.7907 116.0846 59.4955 36.5160 174.3466 42 G 4.8985 8.4069 109.0112 44.4427 0.0000 170.8470 43 L 5.0601 8.1506 120.9129 53.5397 45.3374 175.0746 44 G 4.2671 8.8170 111.5411 44.5923 0.0000 170.7732 45 F 5.0881 8.8204 124.8461 56.4101 40.9860 175.0610 46 G 4.2775 9.0025 113.2939 44.8638 0.0000 172.0696 47 K 5.7490 8.5995 125.4681 53.6743 34.4256 175.9766 48 A 4.3094 8.1622 123.9222 51.6336 22.0000 175.2727 49 P 4.3541 0.0000 0.0000 65.3504 31.6627 176.1198 50 E 4.5595 7.8696 116.6080 53.2562 33.5233 175.8626 51 V 3.4371 7.8099 118.8845 65.2785 31.2889 176.0216 52 P 4.2525 0.0000 0.0000 65.2091 31.4502 178.2881 53 L 4.0699 7.9257 117.1373 57.8327 41.6285 178.9514 54 A 4.1006 8.3409 120.8792 55.4627 18.2961 179.8394 55 V 3.5289 7.6948 115.7088 66.5228 31.8095 177.3614 56 Q 3.8718 8.7948 119.6951 59.4561 28.6697 178.5713 57 K 3.8867 8.8719 120.1395 60.1175 32.0895 177.9286 58 A 4.2488 8.0640 118.8709 55.7965 18.5233 179.2034 59 G 3.9617 8.4511 102.6444 48.6322 0.0000 174.6888 60 Y 4.4458 8.1167 121.8641 60.5949 38.5084 178.2793 61 Y 4.0259 8.1001 116.6651 61.2589 37.8027 177.0134 62 A 3.9694 8.6954 122.9439 54.1973 18.0805 179.2373 63 R 3.4701 7.8044 118.7018 58.8217 30.6251 177.9676 64 R 4.0956 7.4050 113.9576 56.7017 30.0091 175.4394 65 N 4.6862 9.3045 116.4364 53.8862 42.5530 173.2332 66 M 5.4306 8.3719 125.0491 56.4869 36.0967 173.8064 67 V 4.4091 7.8737 115.6078 61.0219 34.3889 172.0249 68 E 4.2437 8.9618 121.1848 56.8582 30.0264 176.9013 69 V 4.0324 8.5425 126.9687 59.8127 31.0499 171.4803 70 P 4.4026 0.0000 0.0000 62.2223 30.6425 174.2434 71 L 5.0131 7.7749 118.5306 53.6765 42.3982 177.6949 72 Q 4.2682 8.3794 124.1405 54.7091 27.0782 173.6492 73 N 3.9424 8.6123 123.2458 54.2159 36.2289 174.5621 74 G 4.1864 8.1469 103.2573 46.2774 0.0000 171.1825 75 T 4.5354 7.1077 114.5846 61.2314 70.0217 172.0536 76 I 4.8939 8.0382 119.7029 57.9944 41.0954 174.2187 77 P 4.4184 0.0000 0.0000 66.2272 31.7691 175.9287 78 H 4.5599 7.2051 113.9190 55.8352 33.0757 173.0568 79 E 5.6872 9.3143 117.8583 54.5099 32.6534 175.5031 80 I 4.5058 7.9386 112.6265 60.0572 41.0181 173.4587 81 E 4.9170 8.9366 124.6869 54.6880 31.2010 174.9164 82 V 4.2912 8.6477 125.1814 61.0394 34.1325 174.2844 83 E 4.7897 8.8878 128.6516 55.0747 30.3338 176.2223 84 F 4.4442 9.1620 129.5728 57.5668 37.9722 179.3270 85 G 3.4928 8.0788 110.8666 45.8757 0.0000 171.8273 86 A 4.0385 6.5367 120.3408 54.1861 19.3806 178.2826 87 S 5.1338 8.0649 109.4230 56.6719 66.4405 172.5796 88 K 4.8972 9.1775 123.5894 55.1571 34.8267 174.9328 89 I 4.9008 8.1925 124.9575 59.8498 42.0250 173.7568 90 V 5.6434 8.0969 119.3414 58.8089 35.5876 174.9337 91 L 4.8733 8.4206 122.9226 53.1285 44.4570 175.2136 92 K 4.8473 8.4762 124.1041 54.0111 34.1768 174.9860 93 P 4.5172 0.0000 0.0000 62.8758 32.2716 175.1876 94 A 4.8932 7.7545 122.5063 49.7536 21.3676 176.4924 95 A 4.1121 8.7488 123.7997 51.2396 19.2524 175.4588 96 P 4.8165 0.0000 0.0000 63.8333 31.9424 176.5269 97 G 4.0653 8.8243 110.0411 46.8766 0.0000 174.5318 98 T 3.9966 8.5514 117.3181 63.6251 69.4309 176.1003 99 G 3.8234 8.5018 107.2351 43.1963 0.0000 171.3352 100 V 4.7761 7.9638 118.4364 61.1023 33.2640 175.6041 101 I 4.3624 7.8698 122.1410 60.1559 38.6556 174.5883 102 A 4.2861 8.1179 126.6462 50.9182 21.9263 175.8693 103 G 3.6971 8.6346 107.2901 44.6541 0.0000 174.8433 104 A 3.9431 8.5508 122.9170 53.7617 18.3232 178.8083 105 V 4.0003 7.7382 115.4373 63.6690 32.0675 175.4086 106 P 4.3020 0.0000 0.0000 65.7537 31.7507 178.1669 107 R 3.9343 8.3526 118.3708 60.4840 30.1818 178.1605 108 A 3.4546 8.1487 115.6462 54.2045 18.7275 179.0443 109 I 3.6113 7.8451 115.8344 64.2619 37.8935 178.5479 110 L 3.9736 7.8917 119.0581 57.4659 41.2172 179.6509 111 E 4.1240 8.0615 118.4167 59.4611 29.7003 179.2012 112 L 3.9988 7.9016 117.8370 57.3343 41.6784 179.1485 113 A 4.1169 8.2456 121.2197 53.1184 18.3591 177.8784 114 G 3.7708 8.7324 105.6477 46.2895 0.0000 173.7503 115 V 4.4745 7.5226 116.8334 61.0468 34.5526 174.8943 116 T 4.5094 8.3360 119.8865 63.0129 70.9548 173.0994 117 D 5.1456 7.4603 121.3046 52.7600 43.5734 175.0275 118 I 4.3844 8.7223 122.2604 60.6385 42.5561 172.5403 119 L 5.0400 8.1060 125.0427 53.4171 45.8617 175.8123 120 T 5.2272 8.2533 111.8727 60.7292 71.1237 172.0540 121 K 4.7020 8.4323 121.7050 55.1501 36.9038 174.1207 122 E 4.9115 8.7315 121.0597 54.5445 32.4432 175.1708 123 L 4.5946 8.7158 124.7235 55.3966 45.3875 177.2521 124 G 3.7313 9.4251 114.2919 46.2918 0.0000 175.9028 125 S 4.5607 5.8100 116.8185 57.9401 64.6124 171.7497 126 R 4.6363 8.4449 114.4694 57.1235 35.6573 175.1177 127 N 3.9463 7.8804 115.6235 52.8623 38.8700 172.7932 128 P 4.1793 0.0000 0.0000 65.7946 33.0020 177.4384 129 I 3.4841 8.2199 112.4101 65.0842 36.6638 178.7667 130 N 4.2837 9.3312 123.3445 57.0089 39.9676 176.9529 131 I 3.7103 8.0044 118.6850 65.1565 36.8192 177.4876 132 A 3.8389 8.5416 120.8321 55.9224 17.8399 178.7343 133 Y 3.7428 7.9142 116.2047 60.0871 37.7612 178.6019 134 A 4.1731 7.9210 121.9859 55.2993 19.1219 178.9222 135 T 3.7448 8.2537 114.4080 66.7983 68.4259 176.4878 136 M 3.7346 7.9180 119.1731 58.8873 32.3269 178.7196 137 E 3.9079 7.7431 114.7845 59.7201 29.7455 179.5431 138 A 3.9886 8.2508 120.7179 55.4257 18.3423 179.7727 139 L 4.2753 7.6608 115.5598 57.3893 41.7373 179.0171 140 R 4.2442 7.5601 116.3344 57.1488 30.1296 175.9743 141 Q 4.6874 8.4235 116.9330 56.3870 29.9595 175.0486 142 L 4.7350 7.9514 116.5637 53.7165 43.4601 177.8278 143 R 4.9000 8.4489 120.1793 53.9420 31.4130 174.6580 144 T 3.8922 8.0919 113.6002 60.3599 69.5427 175.1668 145 K 3.8864 8.7802 121.9815 59.4925 33.7612 178.0842 146 A 4.0791 8.8214 118.7814 53.8358 16.8943 181.1494 147 D 4.1699 8.4441 120.3601 54.8817 42.5180 177.0282 148 V 3.5782 7.7051 116.9845 66.5407 31.4896 177.6308 149 E 3.9279 8.9587 118.5103 59.9159 29.1693 179.4733 150 R 4.0401 7.5797 116.9371 59.6703 30.2286 178.6549 151 L 4.2321 7.6556 117.1570 56.2255 42.4634 178.3121 152 R 4.6656 7.9880 118.6811 55.6511 29.8547 176.9473 153 K 3.7554 8.4496 117.7946 57.3568 32.7989 177.6003 154 G 4.6811 7.9441 119.8139 47.0670 0.0000 173.0500 *155 E 4.1319 8.1802 121.5146 55.8863 30.4399 179.6343 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 8.36 4.68 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 6 F 8.89 4.06 0.00 3.03 3.09 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 7 E 8.52 3.57 0.00 2.12 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 2.35 2.33 0.00 8 E 9.14 4.55 0.00 2.18 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 2.16 2.37 0.00 9 K 8.19 4.50 0.00 1.79 1.62 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.37 7.81 10 M 8.48 4.53 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 11 I 7.63 4.76 1.89 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 1.08 0.74 0.87 0.00 0.00 12 L 7.46 3.61 0.00 1.67 1.38 0.83 0.90 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 13 I 8.49 5.65 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.36 1.06 0.00 0.00 14 R 8.82 4.72 0.00 1.92 2.05 0.00 3.00 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 15 R 8.58 5.04 0.00 2.09 1.98 0.00 2.86 0.00 0.00 3.33 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.74 0.00 16 T 8.14 4.49 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 1.29 0.00 0.00 17 A 8.06 4.30 1.02 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 0.00 0.00 18 R 7.50 4.56 0.00 1.72 1.91 0.00 2.63 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 19 M 8.12 4.80 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 20 Q 9.29 4.35 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 21 A 8.64 3.47 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 22 G 8.40 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 23 G 6.25 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 0.00 0.00 0.00 0.00 24 R 8.01 4.98 0.00 1.32 1.70 0.00 3.09 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 25 R 7.92 4.64 0.00 1.63 1.76 0.00 3.04 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 26 F 8.76 4.62 0.00 2.65 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 27 R 7.62 4.50 0.00 1.75 1.64 0.00 3.08 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 28 F 9.29 5.30 0.00 3.13 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 29 G 9.26 4.73 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 30 A 8.39 4.73 1.34 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 0.00 0.00 31 L 8.35 4.38 0.00 1.31 1.36 0.81 0.76 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 32 V 8.53 4.71 2.08 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 0.93 0.00 0.00 0.98 0.00 0.00 33 V 8.25 4.77 2.06 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 0.92 0.00 0.00 0.88 0.00 0.00 34 V 8.72 4.73 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 0.82 0.00 0.00 0.88 0.00 0.00 35 G 8.83 5.07 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 36 D 8.57 5.13 0.00 2.66 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 37 R 7.95 3.93 0.00 1.90 2.09 0.00 3.11 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 1.76 1.59 0.00 38 Q 8.60 4.42 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.89 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 39 G 8.25 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 40 R 8.09 5.09 0.00 2.10 1.93 0.00 3.41 0.00 0.00 3.40 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 41 V 7.79 5.56 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 0.89 0.00 0.00 0.94 0.00 0.00 42 G 8.41 4.90 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 43 L 8.15 5.06 0.00 1.45 1.25 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.82 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 0.00 0.00 0.00 0.00 45 F 8.82 5.09 0.00 3.10 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 46 G 9.00 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 0.00 0.00 0.00 0.00 47 K 8.60 5.75 0.00 1.51 1.65 0.00 1.37 0.00 0.00 1.95 0.00 0.00 2.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.25 7.81 48 A 8.16 4.31 1.36 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 49 P 0.00 4.35 0.00 2.16 2.24 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 50 E 7.87 4.56 0.00 2.02 1.73 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 2.23 2.19 0.00 51 V 7.81 3.44 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 0.88 0.00 0.00 0.45 0.00 0.00 52 P 0.00 4.25 0.00 2.19 2.05 0.00 3.62 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 2.07 2.12 0.00 53 L 7.93 4.07 0.00 1.92 1.79 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.34 4.10 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 55 V 7.69 3.53 2.22 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 1.00 0.00 0.00 0.98 0.00 0.00 56 Q 8.79 3.87 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.45 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 57 K 8.87 3.89 0.00 2.21 2.18 0.00 1.87 0.00 0.00 2.02 0.00 0.00 3.26 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.93 1.62 7.81 58 A 8.06 4.25 1.53 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 59 G 8.45 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 60 Y 8.12 4.45 0.00 2.94 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 61 Y 8.10 4.03 0.00 3.25 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 62 A 8.70 3.97 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 63 R 7.80 3.47 0.00 1.70 1.70 0.00 3.14 0.00 0.00 2.93 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.37 0.00 64 R 7.41 4.10 0.00 1.74 1.97 0.00 3.02 0.00 0.00 3.05 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 65 N 9.30 4.69 0.00 2.64 2.64 0.00 0.00 6.97 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 66 M 8.37 5.43 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 67 V 7.87 4.41 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 68 E 8.96 4.24 0.00 2.00 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 2.28 2.31 0.00 69 V 8.54 4.03 2.08 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 0.78 0.00 0.00 0.98 0.00 0.00 70 P 0.00 4.40 0.00 2.06 2.04 0.00 3.71 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 2.20 2.31 0.00 71 L 7.77 5.01 0.00 1.63 1.61 0.98 1.13 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 72 Q 8.38 4.27 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 73 N 8.61 3.94 0.00 2.93 2.84 0.00 0.00 6.97 8.90 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 74 G 8.15 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 0.00 0.00 0.00 0.00 75 T 7.11 4.54 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 1.31 0.00 0.00 76 I 8.04 4.89 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 0.88 0.00 0.00 77 P 0.00 4.42 0.00 2.11 2.14 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.88 0.00 78 H 7.21 4.56 0.00 3.11 3.21 0.00 5.49 0.00 0.00 0.00 0.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.31 5.69 0.00 1.85 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 2.23 2.20 0.00 80 I 7.94 4.51 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.99 0.00 0.00 81 E 8.94 4.92 0.00 1.84 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 2.20 2.27 0.00 82 V 8.65 4.29 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 1.06 0.00 0.00 0.97 0.00 0.00 83 E 8.89 4.79 0.00 1.91 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 2.26 2.31 0.00 84 F 9.16 4.44 0.00 3.11 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 85 G 8.08 3.49 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 0.00 86 A 6.54 4.04 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 87 S 8.06 5.13 0.00 3.85 3.81 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 0.00 0.00 0.00 88 K 9.18 4.90 0.00 1.80 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.38 7.81 89 I 8.19 4.90 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 1.24 1.31 1.04 0.00 0.00 90 V 8.10 5.64 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 0.99 0.00 0.00 0.94 0.00 0.00 91 L 8.42 4.87 0.00 1.60 1.56 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.48 4.85 0.00 1.66 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 93 P 0.00 4.52 0.00 2.07 2.23 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 94 A 7.75 4.89 1.18 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 95 A 8.75 4.11 1.25 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 96 P 0.00 4.82 0.00 2.05 2.02 0.00 3.88 0.00 0.00 4.31 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 97 G 8.82 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 98 T 8.55 4.00 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 99 G 8.50 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 0.00 100 V 7.96 4.78 2.08 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 0.87 0.00 0.00 0.93 0.00 0.00 101 I 7.87 4.36 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 1.16 1.00 0.91 0.00 0.00 102 A 8.12 4.29 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 0.00 103 G 8.63 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 0.00 104 A 8.55 3.94 1.29 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 0.00 0.00 105 V 7.74 4.00 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 1.04 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.30 0.00 2.25 2.17 0.00 3.99 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 107 R 8.35 3.93 0.00 1.89 2.21 0.00 3.20 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.98 0.00 108 A 8.15 3.45 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 0.00 109 I 7.85 3.61 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.87 0.00 0.00 110 L 7.89 3.97 0.00 1.91 1.71 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.06 4.12 0.00 2.05 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 2.32 2.34 0.00 112 L 7.90 4.00 0.00 1.70 1.74 0.95 0.76 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 0.00 113 A 8.25 4.12 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 0.00 114 G 8.73 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 0.00 0.00 0.00 115 V 7.52 4.47 2.11 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 0.87 0.00 0.00 0.95 0.00 0.00 116 T 8.34 4.51 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 0.00 117 D 7.46 5.15 0.00 2.55 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 0.00 118 I 8.72 4.38 1.87 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 1.22 1.10 0.91 0.00 0.00 119 L 8.11 5.04 0.00 1.55 1.47 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.25 5.23 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 1.24 0.00 0.00 121 K 8.43 4.70 0.00 1.85 1.64 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.53 7.81 122 E 8.73 4.91 0.00 1.93 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 2.29 2.30 0.00 123 L 8.72 4.59 0.00 1.59 1.52 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 124 G 9.43 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 0.00 125 S 5.81 4.56 0.00 3.95 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 0.00 126 R 8.44 4.64 0.00 1.80 1.90 0.00 3.31 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 127 N 7.88 3.95 0.00 2.61 2.75 0.00 0.00 7.06 7.59 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 0.00 128 P 0.00 4.18 0.00 2.07 2.09 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 129 I 8.22 3.48 2.20 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 0.43 1.14 0.00 0.00 130 N 9.33 4.28 0.00 3.00 3.23 0.00 0.00 6.82 7.24 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 0.00 131 I 8.00 3.71 2.07 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 1.77 1.11 0.92 0.00 0.00 132 A 8.54 3.84 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 0.00 133 Y 7.91 3.74 0.00 2.49 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 0.00 0.00 0.00 0.00 134 A 7.92 4.17 1.51 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 0.00 0.00 0.00 135 T 8.25 3.74 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 1.19 0.00 0.00 136 M 7.92 3.73 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.66 0.00 137 E 7.74 3.91 0.00 2.21 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 2.36 2.56 0.00 138 A 8.25 3.99 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 0.00 139 L 7.66 4.28 0.00 1.78 1.75 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.56 4.24 0.00 1.87 2.05 0.00 3.29 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 141 Q 8.42 4.69 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.51 0.00 142 L 7.95 4.73 0.00 1.62 1.54 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.45 4.90 0.00 1.78 1.84 0.00 3.48 0.00 0.00 2.65 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 144 T 8.09 3.89 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 0.00 145 K 8.78 3.89 0.00 1.74 1.93 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.43 7.81 146 A 8.82 4.08 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 0.00 147 D 8.44 4.17 0.00 2.79 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 0.00 148 V 7.71 3.58 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 1.07 0.00 0.00 1.00 0.00 0.00 149 E 8.96 3.93 0.00 2.04 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 0.00 2.72 2.52 0.00 150 R 7.58 4.04 0.00 1.90 2.03 0.00 3.16 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 151 L 7.66 4.23 0.00 1.78 1.73 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.99 4.67 0.00 1.72 1.91 0.00 3.18 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.94 0.00 153 K 8.45 3.76 0.00 1.74 1.72 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.40 7.81 154 G 7.94 4.68 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 *155 E 8.18 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.