NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3269 8.3349 115.4132 57.6584 64.3015 173.2856 1 L 3.9489 8.5235 123.5603 53.0648 40.9099 174.4991 2 K 4.7287 8.5320 122.0532 56.7606 36.9265 175.6575 3 G 4.0496 8.4299 104.3924 45.9698 0.0000 172.2335 4 L 4.5208 8.4164 121.0934 55.1367 42.2380 178.0031 5 R 4.8544 9.5836 123.7556 56.5534 32.7927 176.5145 6 R 5.1811 7.6751 118.0707 54.9700 33.8950 173.7807 7 L 5.3093 8.9058 125.4000 52.9596 45.9046 175.3712 8 V 4.7988 8.8895 123.7058 61.1691 33.8192 174.1585 9 L 5.1612 9.5064 128.9373 52.9937 44.9137 175.3279 10 D 4.9263 9.6099 124.7021 53.4076 41.7524 174.6786 11 V 4.8225 8.6235 126.5090 60.7764 34.5876 173.7478 12 L 5.0970 8.6787 130.0363 53.1697 44.2250 175.1449 13 K 5.2004 8.5685 124.2845 54.5774 36.5779 173.9951 14 P 4.8725 0.0000 0.0000 62.4742 32.2692 175.9344 15 H 4.3706 8.8005 116.3830 58.2099 28.7462 176.0181 16 E 4.7264 7.8647 117.2533 53.8799 31.2679 174.0986 17 P 4.6266 0.0000 0.0000 61.6526 32.7115 176.5141 18 K 4.2141 8.4613 119.7712 56.5937 32.7121 178.5085 19 T 4.0024 8.5217 112.1125 64.8685 68.4693 176.5642 20 I 3.7051 7.8438 115.7873 63.9126 37.4103 178.2394 21 V 3.5986 7.8437 119.5548 65.7264 31.3807 177.9078 22 F 3.7982 8.4391 116.7967 60.6864 38.9046 177.3704 23 A 4.1069 8.4577 120.3831 55.0315 18.0857 179.7713 24 L 3.8833 7.9803 117.5379 58.0582 41.6170 179.6600 25 K 3.9119 7.9322 117.1259 59.5639 32.3575 179.1559 26 L 4.1478 8.0801 119.4287 57.7722 41.3561 179.7150 27 S 4.2414 7.8766 113.1156 61.1337 63.0326 175.5239 28 E 4.2446 7.9730 119.4369 56.0222 29.5222 176.8427 29 L 4.3498 6.9427 119.1990 53.8655 42.1543 176.6795 30 E 4.0656 8.4393 120.5059 57.6534 30.3832 177.2831 31 N 4.2229 8.8926 117.7176 53.9114 35.9997 173.8755 32 V 4.2443 6.9595 119.1709 61.0864 31.7731 175.0873 33 D 4.5497 8.7903 128.4841 57.1442 41.1067 177.1417 34 G 4.2087 7.6422 102.5369 45.4351 0.0000 172.1676 35 V 4.9848 8.2746 119.6986 60.9070 34.7658 173.8470 36 N 4.9605 9.3122 126.8023 51.8778 41.2631 173.0722 37 I 4.9016 8.4727 126.8551 59.9821 39.4589 174.1528 38 H 4.7751 8.8633 128.0956 54.5287 31.7292 173.6109 39 L 4.3915 8.1095 127.6759 55.0295 42.1688 176.0678 40 S 4.4606 8.9223 123.4492 60.5081 63.6589 174.2442 41 E 4.7184 7.7570 117.7968 55.2526 32.7934 173.2893 42 I 4.9002 8.3628 125.9354 59.7344 39.2517 174.6588 43 D 5.0608 9.4786 126.2822 51.7647 44.3973 176.7956 44 Q 3.9418 8.7510 118.3536 59.0282 28.1416 178.0210 45 A 4.4927 7.8649 116.6987 51.3124 20.6194 174.6046 46 T 4.8610 7.6285 105.0908 60.1361 73.2121 172.5904 47 E 5.0724 9.1417 120.2165 54.5050 33.9926 174.6317 48 N 5.1990 9.3594 122.2481 51.9105 41.2142 173.3862 49 I 4.9071 8.6577 119.6871 58.8681 41.7422 174.5376 50 K 4.8699 8.9910 124.7176 54.9814 34.2350 174.7454 51 I 4.7402 8.8505 130.2883 60.3834 38.9463 175.2585 52 T 4.9146 9.1882 125.4513 62.1842 70.2954 173.4775 53 I 4.8006 8.8279 128.8683 59.3974 39.5624 174.7676 54 L 5.0459 8.6586 129.4624 53.3254 45.0025 176.3661 55 G 4.1687 8.0048 111.4071 45.9483 0.0000 170.5795 56 N 5.0245 7.7959 117.5795 53.0690 41.1655 174.5712 57 N 4.3659 8.6888 121.4144 54.7394 37.5310 173.1747 58 L 4.1352 8.6991 120.0209 54.4524 43.1091 177.9624 59 D 4.7712 8.2216 120.6244 52.0997 41.1067 175.8603 60 Y 4.1273 8.4320 126.6647 60.7632 38.8293 177.5323 61 E 3.8734 8.4658 118.5653 59.4978 29.5130 179.1128 62 Q 3.8904 7.9325 119.1493 59.0919 29.1228 178.2271 63 I 3.6008 7.7266 120.8358 64.3494 37.1089 178.3476 64 K 3.8227 8.3352 120.8020 59.2298 31.7504 179.1056 65 G 3.4831 8.1077 106.3768 47.5223 0.0000 175.7947 66 V 3.4983 7.6277 119.8491 65.7853 31.8667 177.7402 67 I 3.9557 7.7644 119.3278 64.6750 36.7974 178.3759 68 E 4.5321 8.0632 119.3292 58.6551 29.6694 180.2424 69 D 4.6885 8.1612 121.0143 53.5259 40.4352 177.4394 *71 G 3.8764 7.9174 104.9376 45.1090 0.0000 173.3083 72 G 4.2937 8.1100 107.5416 44.8507 0.0000 173.5024 73 V 4.7408 8.4320 119.1791 61.1750 35.3975 173.8941 74 I 4.5799 8.4417 128.4340 60.9091 37.2449 175.2678 75 H 4.7884 9.7024 126.4495 58.2846 29.5896 176.0048 76 S 4.5818 7.7888 109.4238 57.5114 65.9035 175.0467 77 V 4.4947 8.4216 122.0432 61.8600 31.3853 174.8739 78 D 4.6597 8.7918 129.4540 56.6228 41.6969 176.9354 79 E 4.7762 7.8785 117.5447 54.8499 33.2942 174.1436 80 V 4.9889 8.2866 124.6195 61.2644 34.9436 174.3276 81 V 4.6388 9.0827 126.6674 61.2539 34.7436 173.9929 82 A 5.5983 7.9562 126.7084 51.7707 22.1807 176.1562 83 G 3.7745 8.3705 106.6015 44.1195 0.0000 173.1889 84 K 4.6264 8.6351 118.0558 56.9442 32.6112 177.3026 85 I 4.5604 7.3212 111.0379 58.4494 40.0873 174.9964 86 I 3.7468 8.4394 124.8552 61.3536 37.0763 175.4399 87 V 4.2424 8.2325 125.8691 60.9866 32.5696 174.8995 88 E 4.3998 8.5425 127.2144 55.2294 30.5191 176.7064 89 S 4.2904 8.3402 116.7889 58.2855 63.9875 174.4150 90 V 3.8336 8.1767 120.3846 63.2346 31.2908 175.7422 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 0 S 8.33 4.33 0.00 4.00 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 1 L 8.52 3.95 0.00 1.81 1.69 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.53 4.73 0.00 1.86 1.88 0.00 1.63 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.37 7.81 3 G 8.43 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 0.00 0.00 0.00 4 L 8.42 4.52 0.00 1.87 1.65 0.99 0.85 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 5 R 9.58 4.85 0.00 1.67 1.95 0.00 3.52 0.00 0.00 3.20 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 6 R 7.68 5.18 0.00 1.85 1.72 0.00 3.13 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 7 L 8.91 5.31 0.00 1.67 1.58 1.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 V 8.89 4.80 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 0.98 0.00 0.00 0.94 0.00 0.00 9 L 9.51 5.16 0.00 1.53 1.57 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.61 4.93 0.00 2.75 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 11 V 8.62 4.82 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 0.89 0.00 0.00 0.94 0.00 0.00 12 L 8.68 5.10 0.00 1.42 1.19 0.95 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.57 5.20 0.00 1.70 1.57 0.00 0.61 0.00 0.00 1.29 0.00 0.00 2.58 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.20 1.22 7.81 14 P 0.00 4.87 0.00 2.10 2.11 0.00 3.89 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 2.26 2.03 0.00 15 H 8.80 4.37 0.00 3.15 3.38 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.86 4.73 0.00 1.97 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 2.27 2.27 0.00 17 P 0.00 4.63 0.00 2.18 2.02 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 18 K 8.46 4.21 0.00 1.86 1.76 0.00 1.70 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.54 1.47 7.81 19 T 8.52 4.00 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 1.09 0.00 0.00 20 I 7.84 3.71 1.90 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 1.56 0.79 0.93 0.00 0.00 21 V 7.84 3.60 2.28 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 1.01 0.00 0.00 0.96 0.00 0.00 22 F 8.44 3.80 0.00 3.36 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 23 A 8.46 4.11 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.98 3.88 0.00 1.92 1.71 0.94 0.60 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 25 K 7.93 3.91 0.00 1.78 1.77 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 26 L 8.08 4.15 0.00 1.81 1.73 1.01 0.45 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 27 S 7.88 4.24 0.00 4.05 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 0.00 28 E 7.97 4.24 0.00 2.16 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 2.33 2.39 0.00 29 L 6.94 4.35 0.00 1.75 1.58 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.44 4.07 0.00 2.03 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 2.39 2.32 0.00 31 N 8.89 4.22 0.00 2.93 3.10 0.00 0.00 6.53 7.68 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 32 V 6.96 4.24 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 0.90 0.00 0.00 0.94 0.00 0.00 33 D 8.79 4.55 0.00 2.63 2.72 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 0.00 0.00 0.00 0.00 34 G 7.64 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 0.00 0.00 0.00 0.00 35 V 8.27 4.98 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 0.85 0.00 0.00 0.95 0.00 0.00 36 N 9.31 4.96 0.00 2.77 2.65 0.00 0.00 6.62 8.12 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 37 I 8.47 4.90 1.89 0.00 0.00 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 1.25 0.83 0.87 0.00 0.00 38 H 8.86 4.78 0.00 3.27 3.16 0.00 5.77 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 39 L 8.11 4.39 0.00 1.59 1.43 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.92 4.46 0.00 3.96 3.89 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 41 E 7.76 4.72 0.00 1.99 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 0.00 2.26 2.30 0.00 42 I 8.36 4.90 1.85 0.00 0.00 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 1.30 0.71 0.87 0.00 0.00 43 D 9.48 5.06 0.00 2.74 2.52 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 44 Q 8.75 3.94 0.00 2.16 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 45 A 7.86 4.49 1.20 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 0.00 0.00 46 T 7.63 4.86 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 1.16 0.00 0.00 47 E 9.14 5.07 0.00 1.81 1.76 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 2.20 2.29 0.00 48 N 9.36 5.20 0.00 2.66 2.63 0.00 0.00 6.73 7.75 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 49 I 8.66 4.91 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.58 0.78 0.00 0.00 50 K 8.99 4.87 0.00 1.84 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.39 7.81 51 I 8.85 4.74 1.90 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 1.23 0.73 0.95 0.00 0.00 52 T 9.19 4.91 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 1.22 0.00 0.00 53 I 8.83 4.80 1.90 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 1.14 0.66 0.93 0.00 0.00 54 L 8.66 5.05 0.00 1.73 1.61 0.96 0.80 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 55 G 8.00 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 0.00 0.00 0.00 0.00 56 N 7.80 5.02 0.00 2.77 2.65 0.00 0.00 7.52 6.46 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 57 N 8.69 4.37 0.00 3.16 2.71 0.00 0.00 6.87 5.97 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 58 L 8.70 4.14 0.00 1.68 1.62 0.95 1.16 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 59 D 8.22 4.77 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.13 0.00 3.13 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 61 E 8.47 3.87 0.00 2.18 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 2.52 2.38 0.00 62 Q 7.93 3.89 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 63 I 7.73 3.60 1.85 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 1.38 0.43 0.85 0.00 0.00 64 K 8.34 3.82 0.00 1.07 1.69 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.32 7.81 65 G 8.11 3.48 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 0.00 66 V 7.63 3.50 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 0.75 0.00 0.00 0.96 0.00 0.00 67 I 7.76 3.96 1.89 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 1.68 0.71 1.08 0.00 0.00 68 E 8.06 4.53 0.00 2.00 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 2.51 2.29 0.00 69 D 8.16 4.69 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.11 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 0.00 0.00 0.00 0.00 73 V 8.43 4.74 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 1.12 0.00 0.00 0.96 0.00 0.00 74 I 8.44 4.58 1.95 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 1.38 0.71 1.06 0.00 0.00 75 H 9.70 4.79 0.00 3.14 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.79 4.58 0.00 3.86 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 77 V 8.42 4.49 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 0.83 0.00 0.00 0.99 0.00 0.00 78 D 8.79 4.66 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 79 E 7.88 4.78 0.00 2.00 1.73 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 2.28 2.31 0.00 80 V 8.29 4.99 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 0.83 0.00 0.00 0.91 0.00 0.00 81 V 9.08 4.64 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 0.91 0.00 0.00 0.96 0.00 0.00 82 A 7.96 5.60 1.22 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 0.00 0.00 83 G 8.37 3.77 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 0.00 0.00 0.00 84 K 8.64 4.63 0.00 1.76 1.88 0.00 1.74 0.00 0.00 0.92 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.38 7.81 85 I 7.32 4.56 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.91 0.00 0.00 86 I 8.44 3.75 1.87 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 1.30 0.81 0.91 0.00 0.00 87 V 8.23 4.24 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 0.83 0.00 0.00 0.96 0.00 0.00 88 E 8.54 4.40 0.00 2.00 1.85 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 2.29 2.23 0.00 89 S 8.34 4.29 0.00 3.97 3.87 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 90 V 8.18 3.83 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 0.78 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.