NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5319 8.1127 121.1251 56.2850 31.8231 173.6204 3 V 4.7010 8.8040 126.4730 60.0653 34.8266 172.2508 4 L 5.0445 8.8643 128.8620 53.2611 45.2231 174.4434 5 V 4.7021 8.7619 126.7159 61.1026 34.1280 174.3270 6 V 4.8040 8.6164 127.9986 61.5324 33.7176 173.8611 7 E 5.0315 8.9010 129.0059 55.3110 32.8913 175.4493 8 D 4.5926 8.2684 125.7120 53.9220 40.4461 176.6674 9 N 4.4702 8.6011 119.2717 52.5892 38.9118 174.6054 10 A 3.7960 8.5247 130.8476 55.1968 18.4523 178.6100 11 L 3.7599 7.8103 117.9201 58.1655 42.1636 178.7273 12 L 3.9369 8.2453 120.2276 58.1907 42.1956 178.6953 13 R 3.8550 8.3921 118.9610 59.9546 29.9280 178.2209 14 H 4.3604 8.2848 115.9208 59.1565 28.6454 177.5296 15 H 4.3182 8.4115 118.0867 58.7906 28.4698 177.7741 16 L 4.0139 8.2663 121.0117 57.7709 41.5405 179.3932 17 K 3.8735 7.9128 119.0357 59.6096 32.1039 178.8788 18 V 3.6137 7.8719 118.3597 66.0023 31.4744 177.8832 19 Q 3.9984 8.2967 117.8636 59.3275 28.5262 179.1641 20 I 3.8278 8.1496 120.9905 64.4141 37.0677 178.6391 21 Q 4.3931 8.6145 120.7952 58.5750 28.3354 178.4153 22 D 4.3941 8.5165 119.1564 56.8986 40.9233 177.9290 23 A 4.3019 7.6834 119.4143 52.5360 18.5405 177.8849 24 G 4.0102 7.9466 106.5114 45.3156 0.0000 172.9386 25 H 5.0776 8.1376 118.3302 54.0784 33.2406 173.2474 26 Q 4.5067 8.4680 119.7455 54.9758 29.5868 174.9117 27 V 4.9109 8.2684 122.7259 60.4122 34.8172 174.0523 28 D 4.8692 8.9272 127.1597 52.2561 43.6325 174.7749 29 D 5.2958 8.2385 121.4201 51.4770 41.8315 174.7777 30 A 5.3380 9.4492 125.5149 50.1636 21.4537 176.6110 31 E 4.6700 10.0405 118.2729 56.1310 30.8068 175.1894 32 D 4.5414 7.6182 118.6793 51.0672 43.5062 175.6089 33 A 3.9062 8.5156 120.8705 55.4476 18.3190 179.6349 34 K 3.9445 8.0710 117.4201 59.7650 32.3759 178.3900 35 E 4.0571 9.1911 119.6931 58.8180 29.4400 178.6400 36 A 4.3399 8.0927 121.2629 55.4076 18.4451 179.2467 37 D 4.4940 8.4989 117.5028 57.5842 40.8635 178.3254 38 Y 3.9568 7.8616 119.5422 61.1307 38.8265 177.9872 39 Y 4.0142 7.8842 116.9958 60.7755 37.7303 178.2651 40 L 3.8020 7.9928 120.6581 58.3518 42.2355 178.6425 41 N 4.3571 7.9878 114.9346 55.5337 38.5042 176.9092 42 E 4.0620 7.5218 120.4315 57.8973 29.8545 176.6279 43 H 4.5083 8.2971 117.4184 54.3801 31.6352 173.3936 44 I 3.7198 8.2910 126.8432 60.4891 36.9054 174.7616 45 P 4.5039 0.0000 0.0000 62.6134 31.9122 176.2206 46 D 4.5844 8.8804 119.9039 57.0654 41.5275 176.6299 47 I 4.7802 7.4824 116.2945 59.7157 41.6596 173.1123 48 A 5.3433 8.9604 128.6030 50.2313 22.6054 174.9226 49 I 4.7032 8.7942 122.8190 59.6159 39.5989 174.8955 50 V 4.4990 8.6367 127.6690 60.9366 34.0740 174.0575 51 D 5.2091 8.5064 127.5659 53.2219 41.9524 176.0602 52 L 4.1586 8.4578 124.1433 56.9664 43.4235 176.8089 53 G 4.1032 7.9955 108.7685 44.7354 0.0000 172.5031 54 L 4.8478 7.9325 125.3337 51.1887 45.2233 175.1514 55 P 4.4387 0.0000 0.0000 65.4261 32.5017 176.5930 56 D 4.4973 8.3049 113.4516 53.8680 41.4691 177.6684 57 E 4.0307 9.2573 122.9226 56.5558 31.2560 175.6244 58 D 4.8131 8.4510 125.7933 52.5369 42.0469 177.4818 59 G 3.5952 8.8059 108.0013 48.0637 0.0000 175.7723 60 L 3.8836 7.7424 121.9126 57.9742 42.1533 178.8708 61 S 4.0203 8.6598 113.5009 61.1360 62.2122 175.8367 62 L 3.6274 7.7852 122.9846 58.0421 41.7030 178.9969 63 I 3.5087 7.6684 119.9243 64.4031 37.0635 178.5953 64 R 3.9128 8.0164 118.8473 59.1778 29.7406 179.0654 65 R 3.9347 8.1031 118.4041 59.3006 30.1247 178.4779 66 W 4.4605 8.4697 118.9399 60.1530 29.2094 178.7740 67 R 4.1954 8.4715 118.2926 59.2553 29.2904 179.1570 68 S 4.3719 8.2627 112.7541 60.2784 63.0207 175.1378 69 N 4.8602 7.4615 119.2427 52.7314 39.1256 174.5913 70 D 4.3901 7.7484 116.8841 54.7063 40.3512 173.9064 71 V 3.8001 7.9108 118.0252 62.4910 30.7328 175.5866 72 S 4.7321 8.3985 121.1495 57.5792 63.4816 174.2614 73 L 4.2251 7.7056 121.1615 55.4180 41.1575 175.1796 74 P 4.6776 0.0000 0.0000 63.1486 32.7956 175.2172 75 I 5.0700 9.3759 124.6409 59.4220 40.6833 173.9881 76 L 4.9751 8.8921 129.7169 53.2343 44.3181 175.1606 77 V 4.3472 8.5380 127.1046 61.8512 33.2899 174.4551 78 L 4.9157 8.4764 128.9496 53.6854 44.5824 174.8536 79 T 4.8169 8.5367 119.9902 60.5708 71.0679 174.2373 80 A 4.1347 8.6550 126.6570 53.4483 19.0512 178.0111 81 R 4.1373 8.1730 115.9746 56.3042 29.7118 176.2899 82 E 4.5378 8.6600 122.8453 56.7658 31.0577 177.6778 83 S 4.2085 7.9559 115.2022 58.2324 64.5371 175.3033 84 W 4.1798 8.7424 122.2315 59.7112 27.9174 178.6110 85 Q 3.2624 6.7981 118.5876 58.5903 27.9879 178.1387 86 D 4.2845 7.7532 119.7635 57.0338 40.7295 178.8659 87 K 2.8654 7.4161 118.6205 59.0549 31.8957 179.5159 88 V 3.5746 7.7883 118.3980 65.9824 31.4899 177.7144 89 E 3.8887 8.1921 119.0790 59.2875 29.5568 178.9857 90 V 3.6571 8.2361 118.7625 65.9521 31.6268 178.0727 91 L 4.2137 8.2844 119.0528 58.0229 41.2729 179.7095 92 S 4.2148 8.2288 113.9747 61.2143 62.8140 176.0642 93 A 4.2462 7.6799 122.2181 53.0737 18.3235 176.7448 94 G 3.3551 7.4896 106.3345 44.8988 0.0000 174.4640 95 A 4.2219 7.6545 124.1323 52.4806 18.8936 177.1062 96 D 4.7916 9.0192 120.1837 55.7384 42.2094 176.0961 97 D 4.7742 7.8123 116.1074 53.5410 45.1522 173.5283 98 Y 4.9628 8.4344 122.8053 56.3251 41.6429 173.9667 99 V 4.7209 9.1892 127.3030 61.2991 34.6577 174.5271 100 T 5.1312 8.6749 116.9874 60.6524 70.7649 173.9085 101 K 5.0258 8.6865 123.1435 54.2695 33.7587 175.1689 102 P 4.4842 0.0000 0.0000 62.7113 31.9707 175.0391 103 F 4.9394 7.6261 113.5719 55.5065 41.3907 173.3483 104 H 4.7235 8.6136 117.1323 53.7006 30.1379 175.3812 105 I 4.0154 8.6208 125.4324 64.2828 38.0536 177.5770 106 E 3.9916 8.3021 118.6386 59.2958 29.7257 177.8361 107 E 4.1106 8.5019 119.7825 59.1491 29.8248 179.3858 108 V 3.7794 7.3125 113.8048 63.5188 31.0512 176.2933 *110 A 4.4420 8.0594 123.3226 51.9111 20.4650 179.5555 111 R 4.0492 8.0133 114.5041 56.8840 29.7388 178.8068 *113 Q 4.2500 8.2151 118.5654 56.0194 31.1394 176.8381 114 A 4.1337 8.1066 120.6772 55.4081 18.5865 179.7752 115 L 4.1118 7.8022 111.4912 56.0292 41.1425 178.9254 *117 R 4.1874 8.0779 120.8731 56.4456 31.6610 177.6210 118 R 4.0423 7.8238 117.3287 58.9843 30.3000 177.8157 119 N 4.3458 8.4221 116.2125 55.8339 38.9715 175.2234 120 S 4.7556 7.4155 111.0864 57.5432 63.6969 173.8987 121 Q 4.1473 7.8630 124.9155 57.1545 28.2241 175.8320 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 2 R 8.11 4.53 0.00 1.89 1.86 0.00 3.07 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 3 V 8.80 4.70 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 0.94 0.00 0.00 0.81 0.00 0.00 4 L 8.86 5.04 0.00 1.82 1.54 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.76 4.70 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 0.85 0.00 0.00 0.90 0.00 0.00 6 V 8.62 4.80 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 0.87 0.00 0.00 1.02 0.00 0.00 7 E 8.90 5.03 0.00 2.06 1.69 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 2.19 2.47 0.00 8 D 8.27 4.59 0.00 2.73 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 9 N 8.60 4.47 0.00 2.78 2.86 0.00 0.00 6.89 8.21 0.00 0.00 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 A 8.52 3.80 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 11 L 7.81 3.76 0.00 1.71 1.75 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.25 3.94 0.00 1.93 1.78 1.01 0.93 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 13 R 8.39 3.86 0.00 1.99 1.96 0.00 3.29 0.00 0.00 3.50 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 H 8.28 4.36 0.00 3.33 3.32 0.00 5.68 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 15 H 8.41 4.32 0.00 3.39 3.37 0.00 5.64 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 16 L 8.27 4.01 0.00 1.85 1.72 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.91 3.87 0.00 1.87 1.99 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.44 7.81 18 V 7.87 3.61 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 0.95 0.00 0.00 1.04 0.00 0.00 19 Q 8.30 4.00 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 20 I 8.15 3.83 1.88 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 1.51 0.92 0.85 0.00 0.00 21 Q 8.61 4.39 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 22 D 8.52 4.39 0.00 2.83 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 23 A 7.68 4.30 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.95 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 25 H 8.14 5.08 0.00 3.05 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.47 4.51 0.00 1.74 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.32 1.92 0.00 27 V 8.27 4.91 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 0.93 0.00 0.00 28 D 8.93 4.87 0.00 2.30 1.54 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 29 D 8.24 5.30 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.45 5.34 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 0.00 0.00 0.00 0.00 0.00 31 E 10.04 4.67 0.00 2.13 2.21 0.00 0.00 0.00 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 2.21 0.00 32 D 7.62 4.54 0.00 2.92 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 33 A 8.52 3.91 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 34 K 8.07 3.94 0.00 1.86 1.85 0.00 1.73 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 35 E 9.19 4.06 0.00 2.12 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 0.00 2.59 2.28 0.00 36 A 8.09 4.34 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 0.00 0.00 0.00 0.00 0.00 37 D 8.50 4.49 0.00 3.17 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 38 Y 7.86 3.96 0.00 2.98 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 39 Y 7.88 4.01 0.00 3.22 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 40 L 7.99 3.80 0.00 1.32 1.72 0.39 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.99 4.36 0.00 2.66 2.73 0.00 0.00 7.05 7.62 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 42 E 7.52 4.06 0.00 1.45 1.83 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 2.14 2.13 0.00 43 H 8.30 4.51 0.00 3.10 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.29 3.72 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.82 0.00 0.00 45 P 0.00 4.50 0.00 2.36 2.05 0.00 3.63 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 1.95 1.99 0.00 46 D 8.88 4.58 0.00 2.63 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 47 I 7.48 4.78 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 1.28 1.40 0.88 0.00 0.00 48 A 8.96 5.34 1.39 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 0.00 0.00 49 I 8.79 4.70 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.87 0.78 0.00 0.00 50 V 8.64 4.50 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 0.75 0.00 0.00 0.85 0.00 0.00 51 D 8.51 5.21 0.00 2.79 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 52 L 8.46 4.16 0.00 1.58 1.63 0.91 0.92 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 53 G 8.00 4.10 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 0.00 0.00 0.00 54 L 7.93 4.85 0.00 1.78 1.51 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.44 0.00 2.16 2.21 0.00 3.69 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 1.99 2.02 0.00 56 D 8.30 4.50 0.00 2.62 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 57 E 9.26 4.03 0.00 1.90 1.82 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 0.00 2.21 2.25 0.00 58 D 8.45 4.81 0.00 3.10 2.73 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 59 G 8.81 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.74 3.88 0.00 1.74 1.63 0.92 0.85 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 61 S 8.66 4.02 0.00 3.90 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 62 L 7.79 3.63 0.00 1.46 1.44 0.52 -1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.67 3.51 1.92 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 1.38 0.38 0.92 0.00 0.00 64 R 8.02 3.91 0.00 1.98 1.98 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 65 R 8.10 3.93 0.00 1.99 2.13 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.76 0.00 66 W 8.47 4.46 0.00 3.57 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 67 R 8.47 4.20 0.00 1.88 2.03 0.00 3.35 0.00 0.00 3.52 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 68 S 8.26 4.37 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.46 4.86 0.00 2.83 2.85 0.00 0.00 6.96 7.95 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 70 D 7.75 4.39 0.00 2.82 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 71 V 7.91 3.80 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.71 0.00 0.00 72 S 8.40 4.73 0.00 4.01 3.93 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 73 L 7.71 4.23 0.00 1.83 1.71 1.00 0.59 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 74 P 0.00 4.68 0.00 2.11 2.03 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 75 I 9.38 5.07 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.91 0.00 0.00 76 L 8.89 4.98 0.00 1.67 1.46 0.90 0.83 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 8.54 4.35 1.71 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 0.27 0.00 0.00 0.82 0.00 0.00 78 L 8.48 4.92 0.00 1.51 1.24 0.43 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.54 4.82 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 0.82 0.00 0.00 80 A 8.66 4.13 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 81 R 8.17 4.14 0.00 1.93 2.00 0.00 3.17 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 82 E 8.66 4.54 0.00 1.99 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 0.00 2.33 2.56 0.00 83 S 7.96 4.21 0.00 4.01 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 84 W 8.74 4.18 0.00 3.55 3.33 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 85 Q 6.80 3.26 0.00 1.60 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 86 D 7.75 4.28 0.00 2.82 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 87 K 7.42 2.87 0.00 1.81 1.45 0.00 1.58 0.00 0.00 1.38 0.00 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.30 1.09 7.81 88 V 7.79 3.57 2.25 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 1.13 0.00 0.00 1.24 0.00 0.00 89 E 8.19 3.89 0.00 2.03 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 2.30 2.30 0.00 90 V 8.24 3.66 2.45 0.00 0.00 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 1.13 0.00 0.00 91 L 8.28 4.21 0.00 1.80 1.74 0.97 1.35 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 92 S 8.23 4.21 0.00 3.99 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 93 A 7.68 4.25 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 94 G 7.49 3.36 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 0.00 95 A 7.65 4.22 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 96 D 9.02 4.79 0.00 2.69 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 97 D 7.81 4.77 0.00 2.71 2.47 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 98 Y 8.43 4.96 0.00 2.97 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 99 V 9.19 4.72 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 1.00 0.00 0.00 0.95 0.00 0.00 100 T 8.67 5.13 4.35 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 1.48 0.00 0.00 101 K 8.69 5.03 0.00 1.72 1.91 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.62 1.46 7.81 102 P 0.00 4.48 0.00 2.07 2.01 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 103 F 7.63 4.94 0.00 3.16 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 0.00 104 H 8.61 4.72 0.00 3.26 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.62 4.02 2.02 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.31 0.96 0.00 0.00 106 E 8.30 3.99 0.00 2.02 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 2.40 0.00 107 E 8.50 4.11 0.00 2.09 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 0.00 2.36 2.29 0.00 108 V 7.31 3.78 2.25 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 0.69 0.00 0.00 0.83 0.00 0.00 *110 A 8.06 4.44 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 0.00 111 R 8.01 4.05 0.00 2.07 2.07 0.00 3.19 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 *113 Q 8.22 4.25 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 114 A 8.11 4.13 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 0.00 115 L 7.80 4.11 0.00 1.77 1.70 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 *117 R 8.08 4.19 0.00 2.06 2.16 0.00 3.18 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 118 R 7.82 4.04 0.00 1.93 1.91 0.00 3.16 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 119 N 8.42 4.35 0.00 2.88 2.85 0.00 0.00 7.02 8.33 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 0.00 120 S 7.42 4.76 0.00 3.93 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 0.00 121 Q 7.86 4.15 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.