NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.8656 8.4104 110.3380 62.5181 70.2255 172.1481 4 A 3.7442 8.6788 127.1692 52.7782 17.0070 177.3262 5 Y 4.4493 8.2074 110.7890 58.2060 39.6024 174.3849 6 D 4.6217 7.8272 119.7719 55.3466 41.7557 178.1883 7 V 3.7649 7.3776 119.9472 65.7144 32.0930 175.3746 8 I 3.9793 7.5530 121.1361 61.5863 37.0589 174.4304 9 L 4.5426 9.2412 128.6321 55.5859 41.9131 177.7370 10 A 5.1479 7.9967 118.1092 50.0938 23.7521 171.8014 11 P 4.8012 0.0000 0.0000 63.3422 33.9690 177.3374 12 V 2.1444 8.2244 106.7864 60.4922 32.1430 177.3248 13 L 3.6263 9.8133 122.4897 55.1693 38.2760 173.8565 14 S 4.3768 5.9370 110.7160 56.2139 65.8183 177.4825 15 E 3.8345 8.5315 122.2716 59.8906 28.9335 179.7422 16 K 3.7484 7.8087 117.0010 59.3937 32.4747 178.0209 17 A 3.7487 7.3773 120.9018 55.2099 18.0934 178.9647 18 Y 2.4895 6.6943 113.5542 61.0192 37.8163 178.9504 19 A 3.9586 7.3706 119.9434 54.8990 18.7757 178.9883 20 G 3.7489 7.7215 102.3283 45.4578 0.0000 175.8451 21 F 3.9795 9.1256 119.9299 60.2355 39.3230 176.4959 22 A 4.0913 8.2717 122.7917 55.2585 18.0140 177.6340 23 E 4.3652 7.8145 112.5097 55.4699 31.7746 176.6124 24 G 4.0245 8.2895 105.7854 46.6479 0.0000 175.2315 25 K 5.1259 7.8785 118.0050 54.9299 34.2926 176.9570 26 Y 4.9022 8.8286 123.4628 56.0771 41.0190 175.1711 27 T 5.0811 8.1749 112.5601 59.9148 71.9546 172.7973 28 F 5.2583 9.4466 122.9497 55.2833 43.5382 174.1001 29 W 5.1835 8.9917 120.7856 56.6623 30.2537 176.2025 30 V 5.0691 9.2066 116.8113 59.4737 35.9667 174.4887 31 H 4.2777 9.1560 122.5733 56.5784 29.8710 174.3284 32 P 3.7339 0.0000 0.0000 65.7819 31.1862 177.1030 33 K 4.1741 7.4954 115.1796 56.4314 32.5410 176.8283 34 A 4.9142 8.3958 123.7454 52.1573 18.9442 178.0344 35 T 4.4614 8.4272 118.4191 62.2197 71.4314 176.2634 36 K 3.8563 8.6145 122.6064 60.2546 32.1261 179.7840 37 T 3.8314 7.7884 115.1064 66.6557 68.5483 176.3037 38 E 3.9265 8.1806 119.9503 59.5528 29.4502 179.1991 39 I 3.6466 7.9147 119.6998 65.1846 37.2733 177.4430 40 K 3.6174 8.1838 118.0288 60.3292 31.7126 177.5525 41 N 4.1597 8.3787 115.8711 56.6556 38.6337 177.3463 42 A 3.7640 8.0562 121.8518 55.1244 18.6183 179.9520 43 V 3.4411 8.3813 117.0457 65.7170 31.6069 178.2198 44 E 3.9467 8.2419 118.9411 59.5328 29.2924 178.9340 45 T 4.0517 7.6595 106.5344 63.1570 68.8712 174.9400 46 A 4.4173 7.2073 122.3944 52.3198 20.4344 176.7253 47 F 4.7471 7.5746 115.1890 61.7448 40.8689 176.8870 48 K 4.7867 6.9578 115.3588 59.2653 28.3495 172.9714 49 V 4.4954 7.1928 114.3097 59.4378 35.4983 175.8448 50 K 4.5563 9.7112 123.1216 54.8561 32.7684 174.9196 51 V 4.1628 8.3787 127.5391 62.8997 31.3754 175.5502 52 V 4.3195 8.6395 127.6687 63.4080 33.6647 175.6139 53 K 4.5008 7.6334 119.2225 55.3863 35.4997 174.0684 54 V 4.9371 8.5500 126.5831 61.1789 34.3905 174.0879 55 N 5.3193 9.0778 124.4538 51.7096 41.8910 173.5771 56 T 5.2910 8.2991 111.4401 60.3366 72.6092 172.8683 57 L 4.5464 8.1929 120.6898 55.1784 43.9451 174.2309 58 H 4.9214 8.8676 118.9621 55.6846 30.2850 175.3664 59 V 4.3528 9.5844 121.7723 60.7356 33.7198 174.6035 60 R 4.4178 8.2642 128.2281 56.0330 30.5504 176.1389 61 G 4.2757 8.6043 112.5190 45.2246 0.0000 173.4595 62 K 4.4689 8.6145 123.0065 55.7916 33.8260 176.1499 63 K 4.6528 8.5654 123.3785 55.9587 33.7107 176.2083 64 K 4.5609 8.3657 125.2112 54.8708 35.2628 174.9631 65 R 5.0506 8.0413 119.9988 55.2554 33.1816 174.1132 66 L 4.9501 8.1765 121.2019 55.5973 44.7887 174.7959 67 G 3.9530 7.9212 115.5085 44.7441 0.0000 172.4580 68 R 4.0833 8.1998 119.2686 56.6348 29.8270 176.0234 69 Y 4.4168 7.3900 117.0568 56.8464 37.7628 174.0770 70 L 4.6891 8.2230 126.9289 53.4051 44.1497 175.5846 71 G 4.2299 8.5394 110.7556 45.7908 0.0000 171.5268 72 K 5.0101 8.5006 117.7554 54.5859 35.9184 176.6182 73 R 4.5388 8.7039 122.0458 54.2642 31.9756 174.2321 74 P 4.4576 0.0000 0.0000 63.8221 31.7969 175.4103 75 D 4.7051 8.6359 121.3229 54.2706 42.4414 175.4564 76 R 4.8621 8.9320 120.2424 54.3250 35.2175 173.9937 77 K 5.3061 8.6678 119.9273 54.8192 35.7530 174.7501 78 K 5.2992 9.1619 125.5699 55.0547 35.9059 174.8178 79 A 5.0855 8.9544 123.9402 50.1220 22.8093 174.8777 80 I 4.8431 8.9144 121.2954 59.4338 40.5974 174.6192 81 V 4.7651 9.0895 124.3854 60.2614 33.5578 175.0038 82 Q 4.9941 9.3731 127.4734 55.0745 30.2933 174.6753 83 V 4.6128 8.8420 127.1935 61.5093 33.1454 175.3938 84 A 4.2535 9.0705 128.6158 51.4905 19.6238 175.4512 85 P 4.4082 0.0000 0.0000 64.1903 31.6602 175.4641 86 G 4.1077 9.0964 111.5424 45.9163 0.0000 173.7689 87 Q 4.4183 7.5073 117.6088 54.9897 30.0625 174.3842 88 K 4.4326 7.9055 116.1220 56.7303 34.8205 175.6794 89 I 3.9626 6.9728 121.5567 59.1545 36.5818 176.5697 90 E 3.7608 8.5927 125.2484 59.4302 29.7408 179.6873 91 A 3.9741 8.1653 119.4550 55.5766 18.1836 178.9400 92 L 4.3562 7.4450 112.3981 55.3928 41.1622 178.1386 93 E 4.4546 7.6771 121.8134 53.6584 27.8066 174.4713 94 G 3.6974 7.7158 118.5280 46.5140 0.0000 171.8032 *95 L 4.1219 7.8861 125.3082 53.5935 41.6291 178.8558 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 T 8.41 4.87 4.20 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 1.20 0.00 0.00 4 A 8.68 3.74 0.96 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 5 Y 8.21 4.45 0.00 2.97 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 6 D 7.83 4.62 0.00 2.69 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 7 V 7.38 3.76 2.12 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 0.96 0.00 0.00 0.89 0.00 0.00 8 I 7.55 3.98 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.30 0.90 0.00 0.00 9 L 9.24 4.54 0.00 1.84 1.73 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.00 5.15 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 11 P 0.00 4.80 0.00 2.11 2.21 0.00 3.99 0.00 0.00 3.86 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 12 V 8.22 2.14 1.72 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 0.48 0.00 0.00 1.05 0.00 0.00 13 L 9.81 3.63 0.00 1.92 1.91 1.15 1.11 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 14 S 5.94 4.38 0.00 3.77 3.74 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 15 E 8.53 3.83 0.00 1.99 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 2.40 2.46 0.00 16 K 7.81 3.75 0.00 1.62 1.67 0.00 1.71 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.40 7.81 17 A 7.38 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.69 2.49 0.00 2.72 2.49 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 19 A 7.37 3.96 1.30 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 0.00 0.00 0.00 20 G 7.72 3.75 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 0.00 0.00 0.00 21 F 9.13 3.98 0.00 2.94 2.92 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 22 A 8.27 4.09 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 23 E 7.81 4.37 0.00 1.95 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 2.28 2.28 0.00 24 G 8.29 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 0.00 0.00 0.00 25 K 7.88 5.13 0.00 1.76 1.71 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.37 7.81 26 Y 8.83 4.90 0.00 2.98 2.48 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 27 T 8.17 5.08 4.14 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 1.05 0.00 0.00 28 F 9.45 5.26 0.00 3.02 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 29 W 8.99 5.18 0.00 3.42 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 30 V 9.21 5.07 2.18 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 0.82 0.00 0.00 1.08 0.00 0.00 31 H 9.16 4.28 0.00 3.44 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.73 0.00 2.24 2.25 0.00 3.91 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 1.92 2.07 0.00 33 K 7.50 4.17 0.00 1.59 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81 34 A 8.40 4.91 1.30 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 0.00 0.00 0.00 35 T 8.43 4.46 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 1.24 0.00 0.00 36 K 8.61 3.86 0.00 1.76 1.89 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.51 7.81 37 T 7.79 3.83 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 1.20 0.00 0.00 38 E 8.18 3.93 0.00 2.14 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 2.39 2.41 0.00 39 I 7.91 3.65 1.98 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 1.71 1.12 0.94 0.00 0.00 40 K 8.18 3.62 0.00 1.92 1.93 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 41 N 8.38 4.16 0.00 2.78 2.83 0.00 0.00 7.12 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 42 A 8.06 3.76 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 43 V 8.38 3.44 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 1.15 0.00 0.00 0.83 0.00 0.00 44 E 8.24 3.95 0.00 2.17 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 2.45 2.49 0.00 45 T 7.66 4.05 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 1.21 0.00 0.00 46 A 7.21 4.42 0.54 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 0.00 0.00 47 F 7.57 4.75 0.00 2.95 2.87 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 48 K 6.96 4.79 0.00 1.83 2.12 0.00 1.74 0.00 0.00 2.36 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 V 7.19 4.50 2.17 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 0.77 0.00 0.00 1.01 0.00 0.00 50 K 9.71 4.56 0.00 1.79 1.70 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.50 7.81 51 V 8.38 4.16 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 0.80 0.00 0.00 0.99 0.00 0.00 52 V 8.64 4.32 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 0.81 0.00 0.00 0.99 0.00 0.00 53 K 7.63 4.50 0.00 1.81 1.60 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.36 7.81 54 V 8.55 4.94 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 0.92 0.00 0.00 0.97 0.00 0.00 55 N 9.08 5.32 0.00 2.70 2.65 0.00 0.00 6.21 6.33 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 56 T 8.30 5.29 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 1.23 0.00 0.00 57 L 8.19 4.55 0.00 1.64 1.76 0.94 1.43 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 H 8.87 4.92 0.00 3.11 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 9.58 4.35 2.41 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 1.16 0.00 0.00 1.16 0.00 0.00 60 R 8.26 4.42 0.00 1.88 1.85 0.00 3.12 0.00 0.00 3.90 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 61 G 8.60 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 62 K 8.61 4.47 0.00 1.72 1.73 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.44 7.81 63 K 8.57 4.65 0.00 1.86 1.84 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.46 7.81 64 K 8.37 4.56 0.00 1.68 1.78 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.36 7.81 65 R 8.04 5.05 0.00 1.71 1.78 0.00 3.32 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 66 L 8.18 4.95 0.00 1.66 1.63 0.93 1.16 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 67 G 7.92 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 68 R 8.20 4.08 0.00 1.60 1.83 0.00 2.55 0.00 0.00 2.46 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.57 0.00 69 Y 7.39 4.42 0.00 3.38 2.97 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 70 L 8.22 4.69 0.00 1.58 1.54 0.92 1.03 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 71 G 8.54 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 0.00 0.00 0.00 0.00 72 K 8.50 5.01 0.00 1.58 1.67 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.49 7.81 73 R 8.70 4.54 0.00 1.84 1.78 0.00 3.13 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 74 P 0.00 4.46 0.00 2.00 2.04 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 75 D 8.64 4.71 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 4.86 0.00 1.59 1.78 0.00 2.72 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.39 0.00 77 K 8.67 5.31 0.00 1.87 1.83 0.00 1.58 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.48 7.81 78 K 9.16 5.30 0.00 1.51 1.51 0.00 0.61 0.00 0.00 1.25 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.18 7.81 79 A 8.95 5.09 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 80 I 8.91 4.84 1.82 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 1.25 1.71 0.88 0.00 0.00 81 V 9.09 4.77 2.26 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 0.78 0.00 0.00 1.44 0.00 0.00 82 Q 9.37 4.99 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 83 V 8.84 4.61 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 0.83 0.00 0.00 1.07 0.00 0.00 84 A 9.07 4.25 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 85 P 0.00 4.41 0.00 2.20 2.11 0.00 3.76 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 2.00 1.98 0.00 86 G 9.10 4.11 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 0.00 0.00 0.00 87 Q 7.51 4.42 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 88 K 7.91 4.43 0.00 1.90 1.80 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.28 1.51 7.81 89 I 6.97 3.96 0.71 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.27 0.15 0.00 0.00 90 E 8.59 3.76 0.00 1.97 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 2.39 2.30 0.00 91 A 8.17 3.97 1.24 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 0.00 0.00 92 L 7.44 4.36 0.00 1.43 1.42 0.62 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.68 4.45 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 94 G 7.72 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 *95 L 7.89 4.12 0.00 1.42 1.50 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.