NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.0616 8.4104 110.3382 62.3130 70.2148 173.3280 4 A 4.3051 7.6025 124.2598 53.1307 21.6750 176.1207 5 Y 4.2550 8.7904 112.2932 58.4186 39.3552 174.4955 6 D 4.5041 7.8113 121.8625 57.1525 41.1140 178.3707 7 V 3.6285 8.0339 118.8791 66.3562 31.8422 176.2540 8 I 3.9659 7.7016 119.6321 61.5936 37.1525 174.7615 9 L 4.6509 8.6128 125.9513 55.9337 43.4021 176.2391 10 A 4.7077 7.7854 117.6442 50.6740 22.9686 172.7081 11 P 5.2913 0.0000 0.0000 61.4067 32.4382 176.3916 12 V 3.4165 7.8236 124.6347 61.6724 31.8017 175.9951 13 L 4.1478 8.5026 124.1899 52.8709 43.1089 176.1443 14 S 4.3976 6.8227 117.2821 55.6946 67.0247 174.4686 15 E 3.9570 8.7709 122.2047 59.8714 28.8970 179.7896 16 K 3.8473 7.7528 117.8933 59.1950 32.7422 178.3212 17 A 3.7373 7.8170 121.5327 55.2269 18.1214 179.2918 18 Y 3.5591 8.0636 115.5222 60.7376 37.7446 178.0249 19 A 4.1309 7.6709 120.2671 53.9564 18.7478 179.3424 20 G 3.8018 7.2014 105.8337 45.6933 0.0000 173.2696 21 F 4.4048 7.3120 119.5840 58.1861 37.9715 175.0183 22 A 4.7132 7.6226 135.0000 53.0779 21.1641 176.8355 23 E 4.4642 7.1465 114.0854 55.0063 31.6433 177.3255 24 G 4.3264 8.3517 106.8983 46.6642 0.0000 174.7074 25 K 5.3757 7.5373 119.0375 54.1046 32.1524 175.2120 26 Y 4.5434 8.0434 120.6705 56.8345 39.7852 174.1646 27 T 4.7271 7.9220 117.5793 60.1235 71.1101 172.3242 28 F 4.8446 8.6732 121.9376 54.9887 42.3458 173.4125 29 W 4.8153 8.7842 120.2311 57.5354 29.7186 176.1944 30 V 4.8677 8.9367 126.0952 61.2101 34.1115 173.8190 31 H 4.6438 8.4173 121.3007 54.7336 30.0688 174.3051 32 P 4.0958 0.0000 0.0000 66.1008 30.8383 177.0478 33 K 4.2846 7.6119 114.5214 56.1732 32.0342 176.6553 34 A 4.5583 7.8860 122.2257 51.5465 19.3038 177.8685 35 T 4.5577 8.1052 117.0282 62.1628 70.2080 176.1591 36 K 4.2946 8.4002 122.2081 58.7450 32.6957 179.2867 37 T 4.0066 7.6709 117.6921 66.7378 68.3678 176.0872 38 E 3.9863 8.2227 119.9257 60.0132 29.3245 178.9854 39 I 3.7222 7.8157 119.1667 65.2822 37.1653 177.7634 40 K 3.8472 8.1059 117.3499 60.1165 31.9579 177.8154 41 N 4.1926 8.3626 115.6427 56.8226 38.7472 176.7483 42 A 3.9862 8.1362 120.4243 55.4687 18.8106 179.1778 43 V 3.9306 8.9227 117.0298 66.3303 31.6389 178.3393 44 E 4.2265 8.6659 117.6969 59.5612 29.2835 178.9681 45 T 4.3885 8.4137 107.9268 61.5457 68.9145 174.8597 46 A 4.7713 7.8686 121.3228 52.5897 22.1636 177.3919 47 F 4.6093 7.9782 111.1951 55.8867 41.2067 175.2338 48 K 3.9390 8.6595 118.6653 56.7392 29.4443 174.2779 49 V 4.6047 7.1462 109.9899 59.8226 36.3790 174.0437 50 K 4.6106 8.4417 123.4360 55.5423 34.0260 175.1332 51 V 4.8787 8.0421 125.2473 61.6344 32.4489 175.4011 52 V 4.2181 9.1699 128.1739 63.7537 32.9847 175.5913 53 K 4.7056 7.6939 119.9905 55.0933 35.7302 174.6983 54 V 4.9574 8.2800 124.8256 61.3448 34.7888 173.9404 55 N 5.2564 9.4404 124.9872 51.6142 41.8921 173.5704 56 T 5.2935 8.0869 112.3115 59.9624 72.4430 173.0844 57 L 4.4577 8.0361 117.8823 55.5732 43.8463 173.5612 58 H 4.9678 9.2043 119.8006 55.7456 30.1705 175.4567 59 V 4.2511 9.1224 122.0541 60.5865 32.7812 173.4942 60 R 4.0396 8.7798 127.4818 56.3534 30.3893 176.0586 61 G 3.9045 8.6304 113.8283 45.8286 0.0000 172.4366 62 K 4.4406 8.7166 123.2610 55.9739 33.7113 175.9420 63 K 4.7205 8.5674 123.2474 55.7316 34.0719 175.7643 64 K 4.6875 7.6612 126.1633 55.4912 35.6813 174.8120 65 R 4.7091 8.0762 116.6685 56.2320 33.0783 174.0222 66 L 4.6854 8.4703 128.8976 54.1518 44.8034 175.9236 67 G 3.8295 8.5497 114.6395 47.1286 0.0000 174.8292 68 R 3.9312 8.2769 118.0085 57.0906 30.1394 176.6534 69 Y 4.2971 7.5237 117.9057 57.0490 36.8740 174.0363 70 L 4.4070 8.2896 127.0735 54.5203 42.5293 176.4291 71 G 4.1834 8.7764 111.3709 46.1487 0.0000 171.2619 72 K 4.9186 8.3609 117.7163 55.2070 36.1603 176.4772 73 R 4.4343 8.8617 123.4166 54.7859 30.9421 174.6854 74 P 4.4782 0.0000 0.0000 63.1383 32.7473 174.8995 75 D 4.9821 8.4126 120.0336 53.7933 42.2772 176.1279 76 R 4.7170 8.4640 119.3880 54.3954 35.3853 173.9319 77 K 4.8602 8.6645 122.0034 54.7867 34.5869 174.6578 78 K 4.8202 9.1009 129.3039 55.3608 34.4323 175.2527 79 A 5.2129 8.5971 127.6131 50.6334 22.8344 174.7824 80 I 4.6774 8.6786 116.9352 59.3067 40.2693 175.3337 81 V 4.9003 8.8432 118.5836 59.5862 35.2979 174.1214 82 Q 5.6840 9.0777 124.4430 53.9053 31.2403 174.4553 83 V 5.4017 8.4853 119.1566 58.9300 33.7646 175.0964 84 A 4.0385 8.4749 126.2149 50.1649 20.0541 174.9792 85 P 4.3352 0.0000 0.0000 64.8662 31.5800 174.6091 86 G 4.1870 9.1000 109.6413 45.9506 0.0000 173.9151 87 Q 4.1491 7.5849 116.9630 55.8881 29.3000 175.9139 88 K 4.1387 7.7754 115.1277 56.0160 34.8670 174.2694 89 I 3.9562 7.3000 127.7702 60.3896 37.4462 175.7872 90 E 4.0125 9.0307 125.7008 59.5435 30.0254 178.8589 91 A 4.0073 8.3746 121.2465 55.7742 18.2708 178.9645 92 L 4.4152 7.8970 110.9684 55.6775 41.6878 178.0873 93 E 3.8794 8.3349 120.4492 58.5885 29.7472 178.6814 94 G 3.4655 7.6280 109.2341 48.7094 0.0000 174.2721 *95 L 4.1219 7.6930 124.3257 53.7480 41.6291 178.6355 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 5.06 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 4 A 7.60 4.31 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 0.00 0.00 0.00 0.00 0.00 5 Y 8.79 4.25 0.00 2.95 2.98 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 0.00 0.00 0.00 6 D 7.81 4.50 0.00 2.82 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 8.03 3.63 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 1.00 0.00 0.00 0.96 0.00 0.00 8 I 7.70 3.97 1.82 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 1.10 0.02 0.51 0.00 0.00 9 L 8.61 4.65 0.00 1.87 1.77 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.79 4.71 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 0.00 0.00 11 P 0.00 5.29 0.00 2.35 2.43 0.00 3.99 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 12 V 7.82 3.42 0.94 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 0.35 0.00 0.00 0.44 0.00 0.00 13 L 8.50 4.15 0.00 1.66 1.70 1.11 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 14 S 6.82 4.40 0.00 3.86 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 8.77 3.96 0.00 2.05 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 2.44 2.53 0.00 16 K 7.75 3.85 0.00 1.65 1.68 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.39 7.81 17 A 7.82 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.06 3.56 0.00 3.03 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 19 A 7.67 4.13 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 20 G 7.20 3.80 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 0.00 21 F 7.31 4.40 0.00 3.05 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 22 A 7.62 4.71 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 23 E 7.15 4.46 0.00 2.04 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 2.33 2.34 0.00 24 G 8.35 4.33 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 0.00 25 K 7.54 5.38 0.00 1.82 1.61 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.18 7.81 26 Y 8.04 4.54 0.00 2.71 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 27 T 7.92 4.73 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 0.83 0.00 0.00 28 F 8.67 4.84 0.00 3.30 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 29 W 8.78 4.82 0.00 3.55 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 30 V 8.94 4.87 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 0.82 0.00 0.00 1.14 0.00 0.00 31 H 8.42 4.64 0.00 3.36 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.75 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 4.10 0.00 2.11 2.10 0.00 3.61 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 33 K 7.61 4.28 0.00 1.84 1.92 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.41 7.81 34 A 7.89 4.56 1.38 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 0.00 0.00 35 T 8.11 4.56 4.34 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 1.26 0.00 0.00 36 K 8.40 4.29 0.00 2.00 2.08 0.00 1.50 0.00 0.00 1.98 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.54 7.81 37 T 7.67 4.01 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 1.22 0.00 0.00 38 E 8.22 3.99 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 2.42 2.44 0.00 39 I 7.82 3.72 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.17 1.02 0.00 0.00 40 K 8.11 3.85 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 41 N 8.36 4.19 0.00 2.88 2.86 0.00 0.00 7.06 7.41 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 42 A 8.14 3.99 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 43 V 8.92 3.93 2.29 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 1.05 0.00 0.00 1.13 0.00 0.00 44 E 8.67 4.23 0.00 2.37 2.29 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 2.56 2.33 0.00 45 T 8.41 4.39 4.17 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 0.00 0.00 0.00 1.21 0.00 0.00 46 A 7.87 4.77 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 47 F 7.98 4.61 0.00 3.12 3.03 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 0.00 0.00 0.00 48 K 8.66 3.94 0.00 1.80 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.45 7.81 49 V 7.15 4.60 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 0.70 0.00 0.00 0.92 0.00 0.00 50 K 8.44 4.61 0.00 1.84 1.66 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.43 7.81 51 V 8.04 4.88 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 0.88 0.00 0.00 0.94 0.00 0.00 52 V 9.17 4.22 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 0.78 0.00 0.00 0.96 0.00 0.00 53 K 7.69 4.71 0.00 1.87 1.56 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.49 7.81 54 V 8.28 4.96 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 0.90 0.00 0.00 0.95 0.00 0.00 55 N 9.44 5.26 0.00 2.57 2.63 0.00 0.00 6.22 6.60 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 56 T 8.09 5.29 4.30 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 1.25 0.00 0.00 57 L 8.04 4.46 0.00 1.71 1.77 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 H 9.20 4.97 0.00 3.06 3.30 0.00 5.66 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 9.12 4.25 2.32 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 1.04 0.00 0.00 1.31 0.00 0.00 60 R 8.78 4.04 0.00 1.87 1.91 0.00 3.37 0.00 0.00 3.24 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 61 G 8.63 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 62 K 8.72 4.44 0.00 1.69 1.74 0.00 1.67 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.38 7.81 63 K 8.57 4.72 0.00 1.97 1.82 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.45 7.81 64 K 7.66 4.69 0.00 1.86 1.79 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.50 7.81 65 R 8.08 4.71 0.00 1.78 1.76 0.00 3.18 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 66 L 8.47 4.69 0.00 1.68 1.56 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.55 3.83 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 0.00 0.00 0.00 68 R 8.28 3.93 0.00 1.64 1.86 0.00 2.31 0.00 0.00 2.46 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.80 0.00 69 Y 7.52 4.30 0.00 3.28 2.99 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 70 L 8.29 4.41 0.00 1.61 1.57 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 8.78 4.18 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 0.00 72 K 8.36 4.92 0.00 1.60 1.66 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.48 7.81 73 R 8.86 4.43 0.00 1.75 1.79 0.00 3.14 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 74 P 0.00 4.48 0.00 2.04 2.13 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 75 D 8.41 4.98 0.00 2.54 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 8.46 4.72 0.00 1.64 1.71 0.00 2.94 0.00 0.00 2.86 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.39 0.00 77 K 8.66 4.86 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 78 K 9.10 4.82 0.00 1.87 1.75 0.00 1.52 0.00 0.00 1.38 0.00 0.00 2.26 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 0.67 7.81 79 A 8.60 5.21 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 80 I 8.68 4.68 1.72 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 1.16 1.20 0.75 0.00 0.00 81 V 8.84 4.90 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 0.93 0.00 0.00 0.94 0.00 0.00 82 Q 9.08 5.68 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 83 V 8.49 5.40 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 0.86 0.00 0.00 1.09 0.00 0.00 84 A 8.47 4.04 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 85 P 0.00 4.34 0.00 2.20 2.12 0.00 3.75 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 2.01 2.00 0.00 86 G 9.10 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 87 Q 7.58 4.15 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 88 K 7.78 4.14 0.00 1.73 1.65 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.46 7.81 89 I 7.30 3.96 0.88 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 0.01 -0.04 0.95 0.00 0.00 90 E 9.03 4.01 0.00 2.02 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 2.26 0.00 91 A 8.37 4.01 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.90 4.42 0.00 1.73 1.75 1.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.33 3.88 0.00 2.07 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 2.56 2.37 0.00 94 G 7.63 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 L 7.69 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.