NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3159 8.3449 118.8299 56.0238 30.5832 175.6790 7 D 4.5069 8.0161 115.4553 52.9145 41.2065 175.4754 8 F 4.1986 8.1980 122.4217 57.9356 40.8630 174.0926 9 R 4.1308 6.9462 126.5082 53.4535 31.2268 173.4583 10 P 4.5042 0.0000 0.0000 62.0982 32.6215 177.9313 11 G 3.9253 7.8100 106.5935 45.5270 0.0000 171.4645 12 V 4.6962 7.9361 121.4611 62.8356 32.8726 176.2763 13 Y 5.2945 9.6117 124.6039 56.2701 42.6274 174.0761 14 R 4.9775 9.1078 123.0252 54.8155 32.3812 174.9595 15 H 4.4322 9.2715 127.1960 55.6520 30.6557 175.8209 16 Y 4.1906 7.9324 122.2835 59.5580 37.7151 177.4721 17 K 3.8618 6.8787 117.7980 56.1481 32.4752 176.7500 18 G 3.9855 7.9311 108.2469 45.7953 0.0000 174.5295 19 D 4.3742 7.8215 119.1270 53.9537 41.9497 174.8170 20 H 5.4058 8.3162 118.7594 55.2827 30.9712 173.8169 21 Y 5.3964 9.3604 118.1509 56.4563 43.1033 174.0511 22 L 5.2608 9.5524 124.4655 53.4970 44.3360 175.2227 23 A 4.8607 9.6465 130.4109 51.5922 18.9356 177.8101 24 L 4.1422 9.3174 124.2777 55.6846 42.7937 178.0116 25 G 3.9985 7.3938 104.7642 45.3444 0.0000 170.7423 26 L 4.8068 7.7250 118.7526 53.6005 43.6542 175.9697 27 A 4.6076 8.5482 121.3775 50.8077 23.4027 174.9964 28 R 4.7637 8.3247 119.4737 54.5603 31.5434 175.6315 29 A 4.0974 8.9182 129.9654 51.6094 18.7484 177.5028 30 D 4.2457 8.9488 123.0884 57.7008 41.5992 177.5517 31 E 4.1330 8.2584 117.4150 58.6471 29.5556 177.4909 32 T 4.4050 7.5882 105.1466 60.1595 70.2756 173.0168 33 D 4.4069 8.2823 120.9042 55.7361 40.1412 172.6735 34 E 4.7517 7.8214 114.9232 54.0633 33.2985 175.5694 35 V 4.3058 8.1113 121.9587 62.6185 32.8037 175.3305 36 V 4.7827 8.6949 120.8279 59.4884 35.9339 174.4341 37 V 4.0958 8.7082 122.8789 61.1442 33.5372 174.4936 38 V 4.8172 8.2937 128.1405 61.5546 32.9649 174.1030 39 Y 5.6428 8.7782 125.6518 55.8823 41.4723 174.2571 40 T 5.0856 9.1006 110.7673 59.8012 72.0610 173.4431 41 R 4.3751 8.6220 120.5625 55.3973 30.5497 176.6352 42 L 4.9512 7.8481 121.1986 53.1520 40.4431 175.3900 43 Y 4.6019 7.0269 113.6259 56.2036 40.6418 173.7489 44 A 4.3452 8.4974 124.4890 51.3185 19.9172 176.8824 45 R 4.3804 7.8574 116.8947 55.7351 31.7870 173.7521 46 A 4.3503 8.2631 121.0245 51.8335 20.0757 176.5506 47 G 3.7570 8.4633 104.5830 43.9307 0.0000 172.8521 48 L 4.1258 8.1948 119.3817 54.1851 42.0779 176.2179 49 P 4.4775 0.0000 0.0000 63.1746 31.2193 176.0104 *51 S 4.4174 8.1244 114.9922 59.7452 64.7468 173.2097 52 T 5.5862 7.8294 109.6930 59.4402 72.0231 173.0837 53 R 4.7035 8.2804 120.0925 54.9928 33.8366 173.8613 54 L 4.3111 8.6956 125.4695 55.3104 42.3761 177.7711 55 L 3.7100 9.0031 126.2853 58.3494 41.7924 179.5930 56 R 4.0085 7.9302 114.1861 59.2387 29.5783 178.3755 57 I 4.0278 7.6239 120.0174 63.6969 37.2143 177.6062 58 W 4.3422 8.3140 128.4837 60.6377 30.5523 177.0272 59 N 4.8310 8.3312 113.2862 53.4842 38.6625 175.2469 60 E 4.3095 7.7108 121.1912 56.6247 31.0997 175.7625 61 T 4.8171 8.3093 118.4845 62.3706 70.2877 174.6132 62 V 4.3271 8.8732 120.1121 59.2299 34.9595 174.4975 63 D 4.8832 8.4862 124.5796 54.2799 42.1488 175.2439 64 T 4.7053 8.3451 114.8551 59.6603 72.1907 174.8615 65 G 3.5658 8.6958 109.2746 47.8812 0.0000 174.1961 66 A 4.3428 7.9716 121.7371 51.7521 19.0855 177.6132 67 G 3.8143 7.9100 105.9449 44.2914 0.0000 171.1641 68 P 4.5387 0.0000 0.0000 62.7059 31.9291 175.9513 69 Q 4.6463 8.4992 120.3709 53.6003 33.6044 172.6684 70 P 4.5106 0.0000 0.0000 62.5302 31.9345 176.6914 71 R 3.9080 9.1224 124.4344 58.9471 31.1643 176.4428 72 F 5.0473 7.8903 115.6476 55.4734 42.2813 174.0766 73 A 4.9299 9.1772 126.2995 50.0732 21.2625 175.1310 74 Y 3.4975 8.7085 124.3825 57.3462 39.4132 175.6095 75 V 3.9916 7.6090 117.2734 60.7353 34.0161 174.8599 76 G 3.5079 5.4549 105.8656 44.6459 0.0000 174.4789 77 H 4.8346 8.6567 117.2034 55.6318 29.8387 174.3586 78 V 4.5235 7.3823 111.6498 59.6363 35.1746 174.3879 79 T 4.4397 8.0578 115.3161 59.4546 69.5666 172.0039 80 P 4.5940 0.0000 0.0000 61.3572 32.8787 176.1317 81 E 4.1083 8.5481 116.6555 56.8649 29.3116 177.2667 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 6 Q 8.34 4.32 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.02 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 7 D 8.02 4.51 0.00 2.80 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 8 F 8.20 4.20 0.00 2.91 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 9 R 6.95 4.13 0.00 1.31 1.01 0.00 2.93 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.35 0.00 10 P 0.00 4.50 0.00 2.19 2.23 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.40 0.00 11 G 7.81 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 0.00 0.00 0.00 12 V 7.94 4.70 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 1.00 0.00 0.00 1.00 0.00 0.00 13 Y 9.61 5.29 0.00 3.29 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 14 R 9.11 4.98 0.00 1.83 1.78 0.00 3.01 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.36 0.00 15 H 9.27 4.43 0.00 3.12 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.93 4.19 0.00 2.96 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 17 K 6.88 3.86 0.00 1.51 1.65 0.00 1.47 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.04 0.22 7.81 18 G 7.93 3.99 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 0.00 0.00 0.00 19 D 7.82 4.37 0.00 2.38 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 0.00 0.00 0.00 20 H 8.32 5.41 0.00 3.12 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 9.36 5.40 0.00 3.22 3.27 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 22 L 9.55 5.26 0.00 1.87 1.72 1.08 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 23 A 9.65 4.86 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 24 L 9.32 4.14 0.00 1.56 1.78 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.39 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 0.00 0.00 0.00 26 L 7.73 4.81 0.00 1.40 1.38 0.78 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.55 4.61 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 28 R 8.32 4.76 0.00 1.78 1.81 0.00 3.22 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 29 A 8.92 4.10 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 30 D 8.95 4.25 0.00 2.63 2.70 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 31 E 8.26 4.13 0.00 1.97 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 2.31 2.35 0.00 32 T 7.59 4.40 4.27 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 1.20 0.00 0.00 33 D 8.28 4.41 0.00 2.78 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 34 E 7.82 4.75 0.00 1.91 1.78 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 2.28 2.33 0.00 35 V 8.11 4.31 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 0.90 0.00 0.00 0.87 0.00 0.00 36 V 8.69 4.78 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 0.58 0.00 0.00 0.90 0.00 0.00 37 V 8.71 4.10 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 -0.37 0.00 0.00 -0.41 0.00 0.00 38 V 8.29 4.82 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 0.97 0.00 0.00 0.85 0.00 0.00 39 Y 8.78 5.64 0.00 3.25 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 40 T 9.10 5.09 4.29 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 1.25 0.00 0.00 41 R 8.62 4.38 0.00 1.16 2.04 0.00 2.21 0.00 0.00 2.78 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.22 0.00 42 L 7.85 4.95 0.00 1.68 1.71 1.01 0.73 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 43 Y 7.03 4.60 0.00 2.96 2.79 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 44 A 8.50 4.35 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 45 R 7.86 4.38 0.00 1.96 2.07 0.00 3.29 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.48 0.00 46 A 8.26 4.35 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 G 8.46 3.76 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 0.00 0.00 0.00 48 L 8.19 4.13 0.00 1.63 1.60 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.48 0.00 2.07 2.20 0.00 3.69 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 2.04 1.96 0.00 *51 S 8.12 4.42 0.00 2.72 3.49 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 52 T 7.83 5.59 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 1.13 0.00 0.00 53 R 8.28 4.70 0.00 2.28 1.99 0.00 3.52 0.00 0.00 3.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 54 L 8.70 4.31 0.00 1.68 1.61 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.00 3.71 0.00 1.54 1.55 0.39 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.93 4.01 0.00 2.02 2.06 0.00 3.09 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 57 I 7.62 4.03 2.09 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.82 1.02 0.00 0.00 58 W 8.31 4.34 0.00 3.17 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 59 N 8.33 4.83 0.00 2.97 2.97 0.00 0.00 7.09 6.96 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 60 E 7.71 4.31 0.00 2.07 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 2.36 2.66 0.00 61 T 8.31 4.82 4.21 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 0.00 0.00 1.23 0.00 0.00 62 V 8.87 4.33 1.61 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 0.57 0.00 0.00 0.09 0.00 0.00 63 D 8.49 4.88 0.00 2.60 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 64 T 8.35 4.71 4.27 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 0.99 0.00 0.00 65 G 8.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.97 4.34 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 67 G 7.91 3.81 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 0.00 0.00 0.00 68 P 0.00 4.54 0.00 2.02 1.95 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 69 Q 8.50 4.65 0.00 1.82 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 70 P 0.00 4.51 0.00 1.97 2.02 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 71 R 9.12 3.91 0.00 1.90 2.10 0.00 3.26 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.59 0.00 72 F 7.89 5.05 0.00 1.67 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 0.00 0.00 0.00 73 A 9.18 4.93 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 74 Y 8.71 3.50 0.00 2.45 2.70 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 75 V 7.61 3.99 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 0.71 0.00 0.00 0.81 0.00 0.00 76 G 5.45 3.51 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 0.00 0.00 0.00 0.00 77 H 8.66 4.83 0.00 3.16 3.33 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.38 4.52 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 0.71 0.00 0.00 0.89 0.00 0.00 79 T 8.06 4.44 4.16 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 0.00 0.00 0.00 1.18 0.00 0.00 80 P 0.00 4.59 0.00 2.19 2.03 0.00 3.42 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 81 E 8.55 4.11 0.00 1.97 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 2.30 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.