NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.2672 8.0393 120.6596 63.1522 32.7451 174.1960 5 T 4.6326 8.5518 117.0769 59.1295 72.7881 171.2814 6 I 4.3399 8.4344 123.3786 61.3829 37.5993 177.5221 7 V 3.9358 8.9082 128.2410 65.0330 32.3921 176.1790 8 K 4.5787 7.6517 119.5804 55.0447 35.3728 174.3489 9 E 5.3618 8.7600 123.1869 54.3082 33.1192 174.5105 10 G 3.9761 7.6739 108.7357 45.8903 0.0000 171.4267 11 W 5.0902 8.6767 120.1776 56.7616 29.7721 176.6890 12 V 4.8063 9.4673 116.7589 59.8441 35.8399 174.2551 13 Q 4.9465 8.7898 121.6210 54.8567 30.4480 174.8604 14 K 4.7314 9.2054 125.1465 54.1797 35.3181 175.4952 15 R 4.5761 7.9470 127.0491 55.4407 30.4160 177.0941 16 G 3.8585 8.2428 110.0403 45.8421 0.0000 173.5993 17 E 3.9754 8.8209 121.2233 58.3108 29.8758 177.6555 18 Y 4.4996 8.0170 114.1958 58.1126 40.3722 175.8520 19 I 4.4100 7.5924 122.1029 59.9341 40.0172 176.8592 20 K 4.2718 8.3370 127.8795 54.2151 30.5497 172.0651 21 N 5.1153 7.3343 119.6327 51.0415 41.9575 174.4008 22 W 5.3116 8.6920 117.8427 55.2671 31.2047 176.1510 23 R 4.9178 9.0801 121.9229 53.7583 34.4026 172.8481 24 P 5.2799 0.0000 0.0000 62.3651 32.3337 176.1654 25 R 5.0787 9.6522 121.7135 54.9222 35.2576 173.3549 26 Y 4.4266 8.7665 124.2630 56.0653 40.3531 174.2994 27 F 4.9620 8.6546 125.7411 55.5482 42.4003 174.6061 28 L 5.4094 9.0549 121.9429 53.0152 45.0296 175.0449 29 L 5.3600 9.5050 126.5253 53.6411 44.1006 175.3951 30 K 5.2588 8.9344 125.6686 54.5170 34.8700 177.6212 31 T 3.9207 8.6992 112.9926 64.4393 68.5915 174.7411 32 D 4.5685 8.1240 119.9218 53.2798 39.8190 177.1820 33 G 4.0142 8.3348 109.8053 45.1784 0.0000 173.6701 34 S 4.7350 8.4052 115.8149 58.2521 64.6888 173.3293 35 F 5.4739 9.3503 125.3712 56.8148 41.8927 173.2150 36 I 4.6057 8.9272 127.9611 59.1837 40.0439 175.2327 37 G 2.8971 7.9186 113.4146 43.9297 0.0000 171.3898 38 Y 5.0992 8.5143 121.5277 56.2129 41.9657 177.6388 39 K 4.3999 8.9371 121.9304 56.7411 32.2903 177.8466 40 E 5.1589 7.7452 114.2732 54.5891 33.5802 174.8900 41 K 2.6691 8.5126 122.1393 55.4074 32.3917 174.7644 42 P 4.0472 0.0000 0.0000 62.1382 31.9665 176.3283 43 Q 4.0542 8.2997 121.6297 55.5434 29.6484 176.6249 44 D 4.3164 8.8988 121.8736 57.8936 40.6136 179.7290 45 V 3.6235 7.8063 117.4109 64.7925 31.2536 177.0487 46 D 4.6741 8.1029 117.2637 54.4641 40.9039 178.1346 47 L 4.0473 7.2959 121.0920 56.7002 41.7519 177.0332 48 P 4.6030 0.0000 0.0000 64.0817 32.7531 176.5816 *49 Y 4.7001 7.8148 116.9851 54.7786 36.9450 179.3419 50 P 3.8331 0.0000 0.0000 62.5013 32.7567 177.2911 51 L 4.1754 7.9372 120.1050 56.9757 42.3164 177.3015 52 N 5.0589 7.5082 114.9673 51.4467 42.2582 173.9794 53 N 5.0176 8.6770 121.8060 52.9946 40.8893 172.9112 54 F 5.2226 8.6116 121.1011 55.5743 42.3180 172.9851 55 S 5.3647 9.2109 113.6391 56.9593 64.1304 173.9878 56 V 4.3174 8.9145 118.7487 60.9127 31.7729 175.8159 57 A 4.1626 7.8073 123.8689 53.9229 18.4159 177.8703 58 K 3.8421 8.7183 120.7057 57.3177 29.8589 175.4521 59 C 4.4837 7.6689 112.0887 58.2936 30.7565 172.5506 60 Q 4.7875 8.9082 118.8580 54.1755 31.3993 174.7875 61 L 5.4121 8.4403 121.1521 53.3658 45.3204 175.8353 62 M 4.9739 9.1266 121.2533 53.5288 36.4344 174.3063 63 K 5.3501 8.8100 121.2908 54.9957 35.0148 175.4402 64 T 4.8566 8.9424 113.4925 60.4354 72.7400 174.0416 65 E 4.8107 8.9507 118.6528 56.0417 31.0085 176.4092 66 R 4.7939 7.6548 117.3612 53.6262 34.0030 173.6686 67 P 4.4303 0.0000 0.0000 64.5143 31.8203 176.4765 68 K 4.4933 7.7515 117.8337 53.3845 34.1188 174.2622 69 P 4.5317 0.0000 0.0000 63.8649 32.2155 175.2654 70 N 4.3102 9.0454 115.0811 54.9180 36.6112 174.1597 71 T 5.2029 7.8588 114.2078 62.4587 70.7761 174.7551 72 F 5.7013 9.1574 120.0038 55.2146 41.8103 173.8545 73 I 5.1516 9.2268 121.0690 59.8033 40.8067 174.2797 74 I 5.1781 9.2248 127.7983 59.7388 39.9728 174.9199 75 R 4.8563 9.0247 124.8527 54.6118 34.0902 174.1640 76 C 4.5780 7.2132 119.4948 57.2857 31.8239 174.8025 77 L 3.7967 8.5278 124.1134 58.2402 41.6801 177.9667 78 Q 4.3305 7.7245 112.8161 56.4820 29.5663 176.5882 79 W 4.7434 7.8809 122.3360 56.1692 27.3979 176.9270 80 T 4.2151 7.7391 108.0341 63.1315 69.6587 177.1952 81 T 4.1473 7.8315 118.7125 66.2896 69.0320 176.5003 82 V 3.6176 7.5329 112.4256 61.9498 32.2053 177.1945 83 I 3.8530 8.8026 125.0655 61.2906 35.9629 173.2169 84 E 5.2252 7.6343 114.2821 55.1186 32.6902 173.9243 85 R 4.5147 9.2963 119.9635 54.6798 33.5163 174.9470 86 T 5.0448 7.8024 118.7056 61.7738 72.1689 172.9263 87 F 5.4814 9.1141 123.8751 55.9766 43.5086 173.5330 88 H 5.4697 9.3460 116.3489 54.2778 32.1911 172.4458 89 V 5.0130 8.3649 112.3713 59.7139 35.1644 175.2036 90 D 4.5684 8.9670 119.9115 56.1302 41.7603 176.3885 91 T 4.8286 7.5724 108.5740 58.5337 73.3301 172.7852 92 P 4.4084 0.0000 0.0000 66.0943 31.3955 178.5962 93 E 3.9638 8.1538 117.9970 59.2231 29.5441 178.6921 94 E 3.9372 8.3629 119.3728 59.1720 29.6878 178.7829 95 R 4.0791 8.0043 118.3504 59.5890 30.1925 178.1836 96 E 3.9738 8.2684 120.3980 58.5229 29.5159 178.3634 97 E 3.8170 8.1506 118.7764 59.2709 29.4497 179.5231 98 W 3.9532 7.7718 118.5643 59.9734 28.6061 178.8474 99 T 3.7186 7.7884 109.7478 64.5050 68.0772 176.4640 100 E 3.8956 8.5684 121.6522 59.1782 29.5052 179.1605 101 A 3.8876 8.0354 120.7912 55.0986 18.4070 179.6134 102 I 3.4992 7.8893 118.6171 64.7065 37.1774 178.5061 103 Q 3.9030 8.0081 120.0043 59.0340 28.8273 178.0502 104 A 3.9681 8.2573 122.1974 55.0000 18.4075 179.8086 105 V 3.4513 7.9529 116.5183 66.1202 31.7472 178.0183 106 A 4.0073 8.0743 120.5379 55.4521 18.2104 179.3878 107 D 4.3172 8.5081 117.7011 57.5215 40.8003 179.2341 108 R 3.9566 8.0237 118.6843 59.2055 29.5109 179.0947 109 L 3.9854 8.0350 118.8796 57.7793 41.4557 179.3762 110 Q 4.0017 7.9839 119.4656 59.1900 28.7822 178.3885 111 R 4.0074 7.9609 118.2873 59.0906 30.1352 178.6754 112 Q 4.1402 8.1166 117.5153 58.6654 28.6585 178.4940 113 E 4.0847 7.6751 118.2131 59.4082 29.7735 176.7627 114 E 4.1241 7.7111 121.2104 56.9664 29.6489 177.0913 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 4 V 8.04 4.27 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 1.01 0.00 0.00 0.95 0.00 0.00 5 T 8.55 4.63 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 6 I 8.43 4.34 1.89 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 1.29 0.58 1.03 0.00 0.00 7 V 8.91 3.94 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 0.64 0.00 0.00 0.95 0.00 0.00 8 K 7.65 4.58 0.00 1.45 1.01 0.00 1.11 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.83 7.81 9 E 8.76 5.36 0.00 2.07 1.95 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 2.19 2.41 0.00 10 G 7.67 3.98 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 0.00 0.00 0.00 11 W 8.68 5.09 0.00 3.38 3.28 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 12 V 9.47 4.81 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 0.63 0.00 0.00 1.21 0.00 0.00 13 Q 8.79 4.95 0.00 1.43 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 14 K 9.21 4.73 0.00 1.76 1.64 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.46 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.96 0.46 7.81 15 R 7.95 4.58 0.00 1.19 1.35 0.00 2.64 0.00 0.00 2.40 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 16 G 8.24 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.82 3.98 0.00 1.83 1.49 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 2.19 2.17 0.00 18 Y 8.02 4.50 0.00 2.84 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 19 I 7.59 4.41 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 1.27 0.95 0.88 0.00 0.00 20 K 8.34 4.27 0.00 1.78 1.64 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.99 7.81 21 N 7.33 5.12 0.00 2.80 2.91 0.00 0.00 5.96 8.88 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 22 W 8.69 5.31 0.00 3.19 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 23 R 9.08 4.92 0.00 1.75 1.85 0.00 3.35 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 24 P 0.00 5.28 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 25 R 9.65 5.08 0.00 2.09 1.91 0.00 3.33 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.99 0.00 26 Y 8.77 4.43 0.00 1.60 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 27 F 8.65 4.96 0.00 2.69 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 28 L 9.05 5.41 0.00 1.73 1.69 1.19 0.46 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 29 L 9.51 5.36 0.00 2.09 1.87 0.85 0.36 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 30 K 8.93 5.26 0.00 1.92 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 31 T 8.70 3.92 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 1.26 0.00 0.00 32 D 8.12 4.57 0.00 2.81 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 33 G 8.33 4.01 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 0.00 0.00 0.00 34 S 8.41 4.73 0.00 3.98 4.05 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 0.00 0.00 0.00 0.00 35 F 9.35 5.47 0.00 2.84 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 0.00 0.00 0.00 0.00 36 I 8.93 4.61 1.84 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 1.21 0.55 0.57 0.00 0.00 37 G 7.92 2.90 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 38 Y 8.51 5.10 0.00 2.82 2.75 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 39 K 8.94 4.40 0.00 1.77 1.72 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.03 7.81 40 E 7.75 5.16 0.00 1.92 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 2.40 2.45 0.00 41 K 8.51 2.67 0.00 1.04 1.46 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.90 0.21 7.81 42 P 0.00 4.05 0.00 1.63 0.69 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.26 0.00 43 Q 8.30 4.05 0.00 2.32 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.84 0.00 0.00 0.00 0.00 0.00 2.45 1.95 0.00 44 D 8.90 4.32 0.00 2.64 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 45 V 7.81 3.62 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 0.76 0.00 0.00 0.92 0.00 0.00 46 D 8.10 4.67 0.00 2.71 2.75 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 47 L 7.30 4.05 0.00 1.66 1.78 0.87 1.28 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 48 P 0.00 4.60 0.00 2.04 2.12 0.00 3.71 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 2.04 2.16 0.00 *49 Y 7.81 4.70 0.00 2.27 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 0.00 0.00 0.00 0.00 50 P 0.00 3.83 0.00 1.82 1.09 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.80 0.00 51 L 7.94 4.18 0.00 1.41 1.70 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.51 5.06 0.00 2.51 2.92 0.00 0.00 6.54 6.92 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 53 N 8.68 5.02 0.00 2.59 2.67 0.00 0.00 6.83 7.02 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 54 F 8.61 5.22 0.00 3.31 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 55 S 9.21 5.36 0.00 4.05 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 56 V 8.91 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 0.88 0.00 0.00 0.92 0.00 0.00 57 A 7.81 4.16 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 58 K 8.72 3.84 0.00 1.83 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.38 7.81 59 C 7.67 4.48 0.00 2.90 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 60 Q 8.91 4.79 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 61 L 8.44 5.41 0.00 1.49 1.57 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 M 9.13 4.97 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 63 K 8.81 5.35 0.00 1.66 1.78 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 64 T 8.94 4.86 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 1.27 0.00 0.00 65 E 8.95 4.81 0.00 1.96 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 2.22 2.25 0.00 66 R 7.65 4.79 0.00 1.76 1.79 0.00 3.39 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 67 P 0.00 4.43 0.00 2.30 2.26 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.09 0.00 68 K 7.75 4.49 0.00 1.47 1.25 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.33 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 0.32 7.81 69 P 0.00 4.53 0.00 2.03 1.99 0.00 3.69 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 1.99 2.09 0.00 70 N 9.05 4.31 0.00 3.16 3.01 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 T 7.86 5.20 4.51 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 1.41 0.00 0.00 72 F 9.16 5.70 0.00 3.16 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 73 I 9.23 5.15 1.97 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 1.29 1.11 1.02 0.00 0.00 74 I 9.22 5.18 2.41 0.00 0.00 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 1.50 1.20 1.13 0.00 0.00 75 R 9.02 4.86 0.00 1.63 1.67 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 76 C 7.21 4.58 0.00 1.23 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 0.00 0.00 0.00 0.00 77 L 8.53 3.80 0.00 1.48 1.61 0.88 0.72 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 78 Q 7.72 4.33 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.28 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 79 W 7.88 4.74 0.00 3.43 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 80 T 7.74 4.22 4.26 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 1.29 0.00 0.00 81 T 7.83 4.15 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 1.10 0.00 0.00 82 V 7.53 3.62 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.68 0.00 0.00 83 I 8.80 3.85 1.87 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 1.35 0.22 0.92 0.00 0.00 84 E 7.63 5.23 0.00 2.15 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 2.16 2.33 0.00 85 R 9.30 4.51 0.00 1.73 1.51 0.00 2.21 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.96 0.00 86 T 7.80 5.04 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 1.27 0.00 0.00 87 F 9.11 5.48 0.00 1.51 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 0.00 0.00 0.00 0.00 88 H 9.35 5.47 0.00 3.22 3.09 0.00 5.20 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 89 V 8.36 5.01 2.31 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 1.01 0.00 0.00 1.24 0.00 0.00 90 D 8.97 4.57 0.00 2.67 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 91 T 7.57 4.83 4.46 0.00 0.00 0.00 0.00 0.00 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 92 P 0.00 4.41 0.00 2.31 2.38 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 93 E 8.15 3.96 0.00 2.09 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 2.40 2.43 0.00 94 E 8.36 3.94 0.00 2.16 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 0.00 2.52 2.64 0.00 95 R 8.00 4.08 0.00 2.11 2.14 0.00 3.26 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.14 0.00 96 E 8.27 3.97 0.00 2.23 2.02 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 2.29 2.40 0.00 97 E 8.15 3.82 0.00 1.99 1.70 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 2.23 2.51 0.00 98 W 7.77 3.95 0.00 2.93 2.30 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 99 T 7.79 3.72 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 1.03 0.00 0.00 100 E 8.57 3.90 0.00 1.98 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 2.28 2.33 0.00 101 A 8.04 3.89 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 0.00 102 I 7.89 3.50 1.74 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.52 0.81 0.00 0.00 103 Q 8.01 3.90 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 104 A 8.26 3.97 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 0.00 105 V 7.95 3.45 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 1.10 0.00 0.00 0.97 0.00 0.00 106 A 8.07 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.51 4.32 0.00 2.79 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 0.00 108 R 8.02 3.96 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 109 L 8.04 3.99 0.00 1.86 1.72 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.98 4.00 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 111 R 7.96 4.01 0.00 1.83 1.97 0.00 3.38 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 112 Q 8.12 4.14 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 113 E 7.68 4.08 0.00 2.23 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 2.34 2.22 0.00 114 E 7.71 4.12 0.00 2.05 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 2.35 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.