NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7079 8.3027 117.8411 55.9464 30.8977 175.0927 6 R 3.6918 8.0067 117.5005 58.4567 30.0384 172.8940 7 V 3.7434 8.3549 119.0019 65.8691 31.9032 177.2736 8 I 2.0000 7.3062 117.9360 63.6779 36.8942 176.9312 9 N 4.6181 7.3969 113.9800 52.7623 39.3374 175.0292 10 H 4.3041 8.3496 122.6604 55.2502 30.5798 174.3093 11 P 4.1676 0.0000 0.0000 65.5464 31.4894 176.6802 12 Y 4.2147 8.3720 113.6549 57.6303 38.2262 174.4647 13 Y 4.7395 8.1301 122.4570 57.2247 39.3189 174.6591 14 F 4.3182 7.9933 128.2670 55.6445 41.4143 173.0919 15 P 3.9722 0.0000 0.0000 62.6206 30.9037 175.3234 16 F 4.9140 5.7168 117.9025 55.6358 41.9782 174.4849 17 N 4.9426 9.2957 120.5769 52.0662 39.8749 175.9220 18 G 3.7269 8.5903 106.1514 48.0572 0.0000 175.4833 19 K 3.9039 8.1013 121.7618 59.3896 32.3066 178.7741 20 Q 4.0888 8.8626 118.1914 58.6333 28.5466 178.6092 21 A 3.1438 8.2800 122.2859 54.8720 18.4281 179.4488 22 E 2.7947 8.0679 117.1601 59.2234 29.1530 179.3601 23 D 4.2791 7.7175 117.8482 57.4165 40.9549 177.8198 24 Y 4.1916 7.7308 118.8399 60.8151 39.0756 177.9780 25 L 4.0478 8.1656 119.3076 56.7666 41.5247 179.2458 26 R 4.1234 7.5673 119.4549 59.5438 30.0185 176.9749 27 S 4.5111 7.8283 108.5426 58.1148 63.4005 173.9646 28 K 4.2903 8.1282 121.7037 55.6342 33.0781 176.3032 29 E 4.2866 8.3485 118.9378 55.7880 30.1389 177.0825 30 R 4.2519 8.4003 120.5866 58.2629 30.5516 177.3625 31 G 4.3171 9.7384 111.0208 45.4113 0.0000 173.5122 32 D 4.9676 8.1980 119.8426 54.8678 42.5852 174.7572 33 F 5.4614 8.1710 116.7314 56.7012 41.0539 172.9112 34 V 4.8809 8.9762 110.9854 60.2525 36.4922 174.1430 35 I 5.1743 9.0792 123.5765 59.8811 39.9969 175.1451 36 R 5.0736 8.9662 121.4841 54.6290 33.4928 174.2280 37 Q 4.6212 8.6845 118.0200 56.2301 29.6108 176.0298 38 S 4.7920 8.4124 115.1076 56.4865 65.8431 174.6000 39 S 4.4809 8.9318 119.5801 59.4081 62.9001 175.3086 40 R 3.8979 7.9386 121.1797 57.3217 30.0062 176.6795 41 G 4.4118 7.0149 107.0266 44.0814 0.0000 173.2883 42 D 4.4657 8.2715 119.5417 56.7323 41.0436 176.9885 43 D 5.3137 7.9125 118.3835 53.8134 41.8640 175.6900 44 H 5.5301 8.1153 113.7379 54.4008 33.0030 172.8589 45 L 4.9582 8.7962 118.3928 53.4909 46.6488 174.9900 46 A 5.3221 9.2362 122.0869 50.3128 22.8219 175.0660 47 I 4.8755 8.9164 120.7336 59.7729 40.3274 174.8707 48 T 5.2376 8.8159 123.5077 61.4959 71.3798 173.2436 49 W 5.8627 9.1284 122.4672 54.7508 32.5984 173.8477 50 K 4.5611 9.1505 123.0514 55.5995 32.2596 177.3552 51 L 3.7022 8.0770 128.5705 57.1457 42.1527 175.9346 52 D 4.2693 7.0404 115.5004 53.0542 43.9394 174.0500 53 K 3.7865 8.6157 119.4580 58.4892 32.2977 175.7914 54 D 4.2683 8.7070 120.8237 54.4011 39.8891 172.0703 55 L 4.4379 7.2404 119.5392 52.8315 44.4047 175.3095 56 F 5.1918 8.4993 123.6186 55.6357 43.2229 174.0236 57 Q 4.5714 8.6007 121.0055 54.6039 32.6039 173.5336 58 H 5.4353 8.9170 121.3564 54.0269 31.5867 173.2420 59 V 4.5685 9.3051 123.7160 61.0501 34.4353 173.8602 60 D 5.0343 8.8041 126.6945 53.6459 42.7038 175.2403 61 I 4.6717 8.8743 126.0384 59.6430 40.2039 174.0505 62 Q 4.6255 9.0464 129.3281 54.5037 30.8410 175.1461 63 E 4.6393 8.9283 126.6700 54.7787 32.2063 175.9111 *65 E 4.1306 8.0909 117.3571 56.6224 30.2564 175.3768 66 K 4.7252 7.5298 121.1194 56.4998 34.9181 173.5005 67 E 4.4453 8.7759 116.8575 56.9676 32.3125 179.0235 68 N 3.1519 7.4416 113.6770 54.2581 41.4529 175.0871 *70 L 4.2913 7.6500 122.2890 52.9207 45.8226 177.9416 71 A 4.0522 8.0192 117.3143 52.2240 18.2266 178.5190 *73 G 3.7898 8.9526 109.4698 45.0352 0.0000 172.9088 74 K 4.2239 8.2946 116.7048 57.3239 32.6786 177.2578 75 V 4.9128 7.6766 117.8504 60.9068 33.8879 174.7982 76 L 5.0561 9.1260 127.9875 52.9398 44.6120 175.4800 77 V 4.9288 9.0086 123.4117 61.1075 34.7353 174.4261 78 V 4.6904 8.8201 127.2153 61.6008 34.7158 175.1087 79 E 3.8390 10.1664 128.4776 57.5007 27.0530 176.1097 80 G 3.9509 8.4327 105.7605 45.5205 0.0000 173.9759 81 Q 4.0571 8.3061 122.4174 55.1193 29.8017 174.5877 82 R 4.7363 7.9284 125.0307 55.4517 31.6548 174.5928 83 Y 4.9421 8.6063 120.2050 57.1091 42.1423 175.2555 84 H 5.3152 9.4882 114.8886 54.5651 30.0648 173.5637 85 D 4.6836 7.7701 119.3104 51.5645 44.4554 175.1423 86 L 3.8912 8.7997 127.1484 58.7128 41.8385 179.1469 87 D 4.4350 8.4338 118.4669 57.2982 40.6663 178.7667 88 Q 3.8851 8.0037 118.8251 58.7875 28.6143 178.7908 89 I 3.2381 7.1682 120.8084 63.9651 37.0473 178.4463 90 I 3.5926 7.4010 120.2070 64.2986 37.0160 178.3294 91 V 3.5210 7.8917 119.2717 65.9447 31.4464 177.4419 92 E 3.7161 7.9219 118.8570 59.7447 29.4473 178.5509 93 Y 3.2636 7.6676 116.0353 60.1464 37.6069 178.1871 94 L 4.2370 7.8892 120.5761 57.8277 41.6835 179.3107 95 Q 3.9500 8.4557 118.5113 58.8168 28.5386 178.4117 96 N 4.1133 7.8010 117.8700 56.3640 39.0690 176.8801 97 K 4.0036 7.9746 121.0948 59.6064 32.1309 178.8884 98 I 3.7492 7.9963 120.2082 64.3120 37.0508 178.3049 99 R 3.8946 8.1930 119.7533 59.5604 29.6682 178.6032 100 L 4.0615 7.9254 117.7067 57.6360 41.6519 178.9509 101 L 4.1174 7.6613 119.2184 58.3326 42.0245 177.1671 102 N 4.4496 7.8751 115.7298 50.3333 38.8333 174.9093 103 E 4.1159 8.4506 126.7274 57.1621 30.1874 174.6107 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 H 8.30 4.71 0.00 3.21 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.01 3.69 0.00 1.87 1.94 0.00 3.24 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 7 V 8.35 3.74 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 1.01 0.00 0.00 0.91 0.00 0.00 8 I 7.31 2.00 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.74 0.00 0.00 9 N 7.40 4.62 0.00 2.66 2.83 0.00 0.00 6.96 7.82 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 10 H 8.35 4.30 0.00 3.21 3.34 0.00 5.60 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 11 P 0.00 4.17 0.00 2.11 2.04 0.00 3.35 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 1.99 2.08 0.00 12 Y 8.37 4.21 0.00 3.23 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 13 Y 8.13 4.74 0.00 3.09 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 14 F 7.99 4.32 0.00 2.71 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 15 P 0.00 3.97 0.00 1.45 1.76 0.00 2.52 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.28 0.00 16 F 5.72 4.91 0.00 2.42 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 17 N 9.30 4.94 0.00 3.01 3.03 0.00 0.00 7.30 6.47 0.00 0.00 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 G 8.59 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 19 K 8.10 3.90 0.00 1.87 1.99 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.58 7.81 20 Q 8.86 4.09 0.00 2.55 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 21 A 8.28 3.14 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 22 E 8.07 2.79 0.00 1.81 1.12 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 1.86 2.48 0.00 23 D 7.72 4.28 0.00 2.83 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 24 Y 7.73 4.19 0.00 2.86 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 25 L 8.17 4.05 0.00 1.72 1.89 1.06 0.82 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 26 R 7.57 4.12 0.00 2.07 2.01 0.00 3.29 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 27 S 7.83 4.51 0.00 3.98 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 28 K 8.13 4.29 0.00 1.84 1.91 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.29 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 1.31 7.81 29 E 8.35 4.29 0.00 2.05 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 2.41 2.30 0.00 30 R 8.40 4.25 0.00 1.87 1.99 0.00 3.22 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 31 G 9.74 4.32 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 0.00 32 D 8.20 4.97 0.00 3.06 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 33 F 8.17 5.46 0.00 3.25 3.23 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 0.00 34 V 8.98 4.88 2.05 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 0.49 0.00 0.00 0.77 0.00 0.00 35 I 9.08 5.17 2.05 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 1.48 1.16 1.00 0.00 0.00 36 R 8.97 5.07 0.00 1.83 2.12 0.00 2.91 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 1.75 1.68 0.00 37 Q 8.68 4.62 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 38 S 8.41 4.79 0.00 3.89 3.69 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 39 S 8.93 4.48 0.00 4.02 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 40 R 7.94 3.90 0.00 1.69 1.53 0.00 3.37 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 41 G 7.01 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 0.00 0.00 0.00 0.00 42 D 8.27 4.47 0.00 2.70 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 43 D 7.91 5.31 0.00 2.56 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 44 H 8.12 5.53 0.00 3.11 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.80 4.96 0.00 1.60 1.55 0.95 1.12 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 46 A 9.24 5.32 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 47 I 8.92 4.88 1.71 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.89 0.39 0.00 0.00 48 T 8.82 5.24 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 1.12 0.00 0.00 49 W 9.13 5.86 0.00 3.79 3.22 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 50 K 9.15 4.56 0.00 2.18 1.92 0.00 1.93 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.20 7.81 51 L 8.08 3.70 0.00 1.26 1.47 -0.43 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.04 4.27 0.00 2.60 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 0.00 0.00 0.00 53 K 8.62 3.79 0.00 1.84 1.79 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.38 7.81 54 D 8.71 4.27 0.00 2.77 2.67 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 55 L 7.24 4.44 0.00 1.50 1.33 0.79 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.50 5.19 0.00 3.00 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 57 Q 8.60 4.57 0.00 1.59 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 58 H 8.92 5.44 0.00 3.06 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.31 4.57 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 1.08 0.00 0.00 1.24 0.00 0.00 60 D 8.80 5.03 0.00 2.77 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 61 I 8.87 4.67 2.03 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 1.13 0.66 0.93 0.00 0.00 62 Q 9.05 4.63 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 63 E 8.93 4.64 0.00 2.01 1.85 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 2.29 2.27 0.00 *65 E 8.09 4.13 0.00 1.92 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 2.30 2.27 0.00 66 K 7.53 4.73 0.00 1.70 1.73 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.63 7.81 67 E 8.78 4.45 0.00 1.93 1.80 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 2.12 2.19 0.00 68 N 7.44 3.15 0.00 2.86 3.08 0.00 0.00 5.96 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 *70 L 7.65 4.29 0.00 2.04 1.75 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.02 4.05 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 *73 G 8.95 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 74 K 8.29 4.22 0.00 1.83 1.87 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.51 7.81 75 V 7.68 4.91 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 0.89 0.00 0.00 0.95 0.00 0.00 76 L 9.13 5.06 0.00 1.73 1.60 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.01 4.93 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 1.10 0.00 0.00 0.94 0.00 0.00 78 V 8.82 4.69 2.34 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 1.12 0.00 0.00 1.06 0.00 0.00 79 E 10.17 3.84 0.00 2.17 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 2.34 2.33 0.00 80 G 8.43 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 0.00 0.00 0.00 81 Q 8.31 4.06 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.20 1.37 0.00 82 R 7.93 4.74 0.00 1.70 1.64 0.00 3.21 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 83 Y 8.61 4.94 0.00 3.12 2.81 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 84 H 9.49 5.32 0.00 3.16 3.41 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.77 4.68 0.00 2.70 2.39 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 86 L 8.80 3.89 0.00 1.77 1.66 0.87 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.43 4.43 0.00 2.86 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 88 Q 8.00 3.89 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 89 I 7.17 3.24 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.27 0.75 0.00 0.00 90 I 7.40 3.59 1.99 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 1.70 0.91 0.78 0.00 0.00 91 V 7.89 3.52 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 0.93 0.00 0.00 0.95 0.00 0.00 92 E 7.92 3.72 0.00 2.07 1.90 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 2.13 1.77 0.00 93 Y 7.67 3.26 0.00 1.67 1.43 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 94 L 7.89 4.24 0.00 1.94 1.76 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.46 3.95 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 96 N 7.80 4.11 0.00 2.39 2.53 0.00 0.00 6.80 6.19 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 97 K 7.97 4.00 0.00 2.30 2.10 0.00 1.92 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.82 7.81 98 I 8.00 3.75 2.02 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 1.44 0.74 0.92 0.00 0.00 99 R 8.19 3.89 0.00 1.96 2.06 0.00 3.06 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 100 L 7.93 4.06 0.00 1.89 1.78 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.66 4.12 0.00 1.81 1.91 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 102 N 7.88 4.45 0.00 2.81 2.71 0.00 0.00 7.06 7.52 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 0.00 103 E 8.45 4.12 0.00 2.15 1.97 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 2.25 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.