NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.9359 8.3131 115.7950 56.2906 40.9415 175.5902 11 G 4.0873 7.9814 110.1682 43.7139 0.0000 173.6954 12 Y 4.3456 10.7465 130.1487 56.5902 42.3474 173.0736 13 D 4.1192 7.9813 129.1003 55.2240 38.8504 175.4150 14 E 4.1112 7.8119 118.5569 59.1711 29.8681 178.3375 15 E 3.9210 8.1180 119.5208 59.0012 29.8474 178.4297 16 K 3.8596 7.9654 117.7323 59.6033 32.1829 179.3257 17 V 3.5601 7.6643 117.8721 66.3283 31.5776 177.9309 18 N 4.5942 8.0120 116.9955 55.4211 38.2905 177.3853 19 R 3.8416 8.0364 120.3524 59.7676 30.2057 178.7766 20 I 4.1870 8.2604 120.9938 63.7576 36.5771 178.5439 21 Q 4.0910 8.4789 119.5851 58.7255 28.3034 178.8734 22 G 3.6703 8.3860 105.9308 48.0012 0.0000 174.8105 23 D 4.6249 8.4321 122.6274 57.3256 40.7363 179.6548 24 L 4.1671 7.8312 116.9678 57.2623 41.7048 179.1545 25 Q 4.1694 7.9505 117.5592 58.1399 28.6921 176.9469 26 T 4.3438 7.7154 108.7221 61.6669 69.4888 174.8697 27 V 4.3957 7.2811 120.6669 59.4789 34.3451 175.5497 28 D 4.6560 8.3311 121.0091 53.2497 41.3558 176.3888 29 I 3.9489 7.9622 126.9903 63.0922 38.2203 176.9717 30 S 4.1873 8.1111 114.0432 61.3530 62.2371 176.1020 31 G 3.6592 8.1789 108.3625 47.7633 0.0000 175.5423 32 V 3.5337 7.4320 119.0071 66.0768 31.5180 177.9918 33 S 4.0954 7.8691 114.2328 61.9705 62.7337 176.8603 34 Q 3.8994 7.8210 121.9364 58.8943 28.5345 177.7104 35 I 3.6100 7.6475 119.6568 64.3316 38.1109 177.9670 36 L 4.0188 8.2071 119.9478 57.3466 39.8868 179.3034 37 K 3.8846 8.7179 120.0630 59.4790 31.9018 178.5208 38 A 4.2338 7.7731 120.1750 55.2099 18.3231 179.2312 39 I 3.9154 7.2873 109.9117 63.5948 38.0196 177.9295 40 A 4.1029 7.7557 121.9408 53.6959 18.5619 177.6827 41 D 4.2756 7.2159 115.5902 54.7622 41.9919 176.3438 42 E 4.0579 9.2072 127.1488 60.0106 29.2523 178.8946 43 N 4.3485 8.1555 115.2844 55.9921 38.5562 177.6555 44 R 3.9304 8.8874 119.7277 58.7411 29.8219 178.8761 45 A 4.2368 8.8884 122.0789 55.0710 18.4125 179.4905 46 K 4.2792 8.2192 117.1874 59.8379 32.3125 179.1743 47 I 3.6400 9.5082 119.3900 64.9525 36.8852 178.4605 48 T 3.8437 8.6235 115.4598 66.8135 68.5617 175.4120 49 Y 4.4508 9.0467 122.1253 61.0636 38.8811 178.0235 50 A 3.9255 8.4758 121.6511 55.4136 18.2901 179.2349 51 L 4.2428 7.6385 113.7656 56.6785 41.6827 178.7960 52 C 4.3634 8.9366 118.4719 62.2937 28.2075 174.6771 53 Q 4.2545 8.0247 118.2064 58.0548 28.7151 175.3587 54 D 4.6155 7.8629 119.3649 53.9407 41.5806 178.1309 55 E 4.3226 8.9218 121.1351 58.9218 29.8961 173.9539 56 E 5.1187 7.7663 118.0703 55.8407 32.6022 175.7019 57 L 5.0063 9.1229 125.7739 53.2873 44.8355 172.5555 58 C 4.9347 8.4340 112.7685 57.7057 32.3861 175.2672 59 V 4.0058 8.4481 118.0373 64.0000 30.9717 178.2414 60 C 4.0800 8.0411 117.0654 63.4292 28.5352 174.6954 61 D 4.4152 8.1732 119.1591 58.0095 40.3911 179.0156 62 I 3.6645 7.7184 117.8740 64.8429 36.8335 178.4702 63 A 4.0771 8.1767 120.8925 54.2325 18.0053 178.4832 64 N 4.4781 8.5004 115.6050 57.1786 39.5065 177.4173 65 I 3.2816 7.2656 116.6770 64.5452 38.0860 176.6267 66 L 3.9786 8.3038 124.0250 55.5974 42.2684 177.3781 67 G 3.9219 8.4719 107.2357 46.5907 0.0000 173.1656 68 V 4.5601 8.9268 110.1494 58.1112 36.4628 176.6753 69 T 3.9454 8.4188 111.3906 62.6362 70.1264 175.0490 70 I 3.7616 8.4746 122.8603 64.3127 37.0855 178.6646 71 A 4.0134 7.9157 121.5260 55.2355 18.3406 179.2851 72 N 4.2457 8.2324 114.8682 56.2342 38.6702 177.4313 73 A 4.0642 8.0053 122.2474 55.4606 18.3696 179.9664 74 S 4.0854 8.2044 113.4967 61.8355 62.9116 176.2423 75 H 3.9914 8.1867 120.9526 59.8136 29.1745 177.0570 76 H 4.2759 8.2354 117.7875 58.8524 28.3683 177.8289 77 L 4.0001 8.0970 123.0846 57.7265 41.3268 180.1674 78 R 4.2401 7.7569 120.4888 61.2779 29.4955 182.9484 79 T 4.3861 7.9857 115.9588 65.3511 68.3351 175.7331 80 L 4.4512 7.5278 118.9295 55.7080 42.8956 177.6606 81 Y 4.2588 8.0722 124.2132 61.3295 38.5958 178.5056 82 K 4.0179 8.7947 122.1269 60.0953 32.2409 179.4716 83 Q 4.3715 7.6751 118.7988 56.3888 28.8610 177.6931 84 G 3.7950 8.0231 108.7759 45.5519 0.0000 174.8913 85 V 3.8694 8.2379 121.8296 64.6736 32.2982 176.3181 86 V 4.6408 7.8442 112.3900 59.5369 35.6260 175.0217 87 N 5.7198 8.9897 123.5087 52.2906 40.7493 172.5478 *88 F 5.0550 8.4749 118.2468 58.1691 41.5145 169.9997 89 R 4.5642 7.9501 116.9592 58.6748 32.2221 171.3771 90 K 4.1093 8.3982 126.7291 51.9283 30.7408 170.0921 *97 Y 5.0096 7.7945 120.4187 57.4127 38.9284 174.4672 98 S 5.0684 8.8017 121.3229 56.6310 66.7920 174.3000 99 L 3.9402 9.1855 124.6385 56.1944 40.7236 176.0777 100 G 3.4753 9.9391 106.7015 48.0075 0.0000 176.3200 101 G 4.2829 7.6232 107.3481 42.6763 0.0000 172.6798 102 E 3.9382 8.8808 117.2546 59.1397 29.1901 178.8987 103 A 4.0153 8.1430 120.5336 55.6879 18.1874 179.4960 104 I 3.7807 7.5736 117.6239 63.8503 37.1877 178.5577 105 R 3.8732 7.9351 121.7814 60.1143 30.1360 178.6782 106 Q 3.9978 8.4234 120.8501 60.5723 28.0230 181.1230 107 I 3.8556 7.9996 122.0511 64.4882 37.0928 178.3169 108 M 3.9841 7.8402 118.5076 58.7999 32.0918 178.2128 109 M 3.9449 8.2149 119.0804 58.2412 31.8716 178.5509 110 I 3.6171 7.6540 119.7185 64.6557 37.4568 178.4179 111 A 3.7867 7.9764 121.1918 54.8467 18.2272 179.7529 112 L 3.8120 8.2704 117.9058 58.0664 41.9416 179.4728 113 A 4.0099 8.4532 120.9714 55.4632 17.9929 178.8583 114 H 4.1439 9.2827 119.6000 60.4995 30.0464 177.6478 115 K 3.7458 8.1943 125.7042 60.8213 31.4972 181.3082 116 K 4.3322 7.9973 125.0555 59.8030 32.0706 179.0264 117 E 4.4755 7.6459 121.1676 56.4124 29.9884 176.0789 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 10 F 8.31 4.94 0.00 3.10 3.25 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 11 G 7.98 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 12 Y 10.75 4.35 0.00 2.87 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 13 D 7.98 4.12 0.00 2.69 2.54 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 0.00 0.00 0.00 0.00 14 E 7.81 4.11 0.00 2.11 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 2.54 2.54 0.00 15 E 8.12 3.92 0.00 1.99 1.89 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 2.37 2.33 0.00 16 K 7.97 3.86 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.50 7.81 17 V 7.66 3.56 2.14 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 1.15 0.00 0.00 1.05 0.00 0.00 18 N 8.01 4.59 0.00 2.91 2.86 0.00 0.00 6.19 7.34 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 19 R 8.04 3.84 0.00 1.89 2.20 0.00 3.10 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 20 I 8.26 4.19 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 1.54 1.05 0.92 0.00 0.00 21 Q 8.48 4.09 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 22 G 8.39 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 23 D 8.43 4.62 0.00 2.86 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 24 L 7.83 4.17 0.00 1.80 1.73 0.93 0.83 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 25 Q 7.95 4.17 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 26 T 7.72 4.34 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 1.23 0.00 0.00 27 V 7.28 4.40 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 0.93 0.00 0.00 28 D 8.33 4.66 0.00 2.79 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 29 I 7.96 3.95 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 1.52 1.07 0.91 0.00 0.00 30 S 8.11 4.19 0.00 3.92 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 31 G 8.18 3.66 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 0.00 0.00 0.00 32 V 7.43 3.53 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 1.10 0.00 0.00 0.97 0.00 0.00 33 S 7.87 4.10 0.00 4.08 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 34 Q 7.82 3.90 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 35 I 7.65 3.61 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 1.51 1.17 0.98 0.00 0.00 36 L 8.21 4.02 0.00 1.71 1.69 0.91 0.87 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 37 K 8.72 3.88 0.00 2.06 1.93 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 38 A 7.77 4.23 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 39 I 7.29 3.92 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 1.65 0.68 0.91 0.00 0.00 40 A 7.76 4.10 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 41 D 7.22 4.28 0.00 2.76 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 42 E 9.21 4.06 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 2.39 2.50 0.00 43 N 8.16 4.35 0.00 2.76 2.60 0.00 0.00 7.08 7.66 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 44 R 8.89 3.93 0.00 1.79 1.96 0.00 3.39 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 45 A 8.89 4.24 1.41 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 0.00 0.00 0.00 46 K 8.22 4.28 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.55 7.81 47 I 9.51 3.64 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 0.83 0.00 0.00 48 T 8.62 3.84 4.38 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 1.23 0.00 0.00 49 Y 9.05 4.45 0.00 2.86 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 50 A 8.48 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 51 L 7.64 4.24 0.00 1.86 1.78 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.94 4.36 0.00 3.26 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 53 Q 8.02 4.25 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 54 D 7.86 4.62 0.00 2.86 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 55 E 8.92 4.32 0.00 1.98 1.89 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 2.24 1.89 0.00 56 E 7.77 5.12 0.00 2.15 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 2.24 2.28 0.00 57 L 9.12 5.01 0.00 1.38 1.46 0.92 0.82 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 58 C 8.43 4.93 0.00 2.99 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 59 V 8.45 4.01 2.35 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 0.91 0.00 0.00 1.00 0.00 0.00 60 C 8.04 4.08 0.00 2.98 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 61 D 8.17 4.42 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 62 I 7.72 3.66 2.02 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 1.55 0.82 0.88 0.00 0.00 63 A 8.18 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 64 N 8.50 4.48 0.00 2.91 2.92 0.00 0.00 7.04 7.79 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 65 I 7.27 3.28 1.94 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 1.38 0.73 0.86 0.00 0.00 66 L 8.30 3.98 0.00 1.65 1.71 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.47 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 0.00 0.00 0.00 68 V 8.93 4.56 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 0.78 0.00 0.00 1.00 0.00 0.00 69 T 8.42 3.95 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 1.21 0.00 0.00 70 I 8.47 3.76 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 1.59 0.78 0.93 0.00 0.00 71 A 7.92 4.01 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 72 N 8.23 4.25 0.00 2.80 2.88 0.00 0.00 6.93 7.29 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 73 A 8.01 4.06 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 74 S 8.20 4.09 0.00 4.00 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 75 H 8.19 3.99 0.00 3.33 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.24 4.28 0.00 3.39 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.10 4.00 0.00 1.76 1.15 0.80 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 78 R 7.76 4.24 0.00 1.79 1.92 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 79 T 7.99 4.39 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 1.22 0.00 0.00 80 L 7.53 4.45 0.00 1.87 1.69 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.07 4.26 0.00 3.30 3.18 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 82 K 8.79 4.02 0.00 1.85 1.59 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.41 7.81 83 Q 7.68 4.37 0.00 1.97 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.83 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 84 G 8.02 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 85 V 8.24 3.87 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 0.93 0.00 0.00 0.94 0.00 0.00 86 V 7.84 4.64 2.23 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 0.91 0.00 0.00 1.07 0.00 0.00 87 N 8.99 5.72 0.00 3.00 3.14 0.00 0.00 6.93 7.77 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 *88 F 8.47 5.05 0.00 2.26 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 0.00 0.00 0.00 89 R 7.95 4.56 0.00 1.81 1.72 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 0.00 90 K 8.40 4.11 0.00 1.76 1.65 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.01 7.81 *97 Y 7.79 5.01 0.00 3.30 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 98 S 8.80 5.07 0.00 3.88 3.95 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 99 L 9.19 3.94 0.00 1.45 1.51 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.94 3.48 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 0.00 101 G 7.62 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 0.00 102 E 8.88 3.94 0.00 1.99 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 2.40 2.32 0.00 103 A 8.14 4.02 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 0.00 104 I 7.57 3.78 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 1.49 1.62 0.91 0.00 0.00 105 R 7.94 3.87 0.00 1.88 1.94 0.00 3.20 0.00 0.00 3.38 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 106 Q 8.42 4.00 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 107 I 8.00 3.86 1.85 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 1.39 0.40 0.89 0.00 0.00 108 M 7.84 3.98 0.00 2.04 2.01 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 2.36 2.45 0.00 109 M 8.21 3.94 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.87 0.00 110 I 7.65 3.62 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 1.63 1.10 0.90 0.00 0.00 111 A 7.98 3.79 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 0.00 112 L 8.27 3.81 0.00 1.73 1.62 0.32 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 113 A 8.45 4.01 1.33 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 0.00 0.00 0.00 114 H 9.28 4.14 0.00 3.03 3.33 0.00 6.00 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.19 3.75 0.00 1.93 1.66 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.41 1.37 7.81 116 K 8.00 4.33 0.00 1.88 1.77 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.37 7.81 117 E 7.65 4.48 0.00 2.18 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 2.38 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.