NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.8307 8.3244 115.8765 56.9894 39.4878 173.5439 3 E 3.9154 8.0195 120.0344 53.6883 32.3607 172.2823 4 R 4.4945 9.1650 127.0273 56.4845 31.3423 175.5000 5 F 4.0210 8.5976 125.1187 56.6497 37.5596 175.4093 6 D 4.3841 7.9434 118.7711 55.2546 41.3877 177.0354 7 S 4.4111 8.5477 119.1706 59.3670 63.7394 174.3516 8 D 4.5512 9.2521 121.2269 54.9718 40.8853 176.0706 9 R 4.6816 7.0362 117.2678 53.7099 33.0635 175.5865 10 S 4.2133 8.3343 114.4535 58.4196 64.4439 173.0169 11 R 4.9003 8.0149 121.9380 54.5569 32.1220 174.7466 12 Y 4.8924 9.6328 120.6333 56.0547 42.1938 174.2779 13 A 5.4464 8.6283 122.0184 49.9815 21.9328 176.4112 14 S 4.3271 9.1022 116.7111 58.0542 64.5903 175.1442 15 L 4.0332 8.9817 122.0872 58.6830 41.4524 179.3904 16 G 3.6757 8.0328 103.8213 47.8284 0.0000 175.4739 17 V 3.7486 7.8621 120.7459 65.7488 31.3987 178.6230 18 V 3.6651 8.0388 118.2562 63.9067 31.3968 177.4331 19 S 4.6281 7.6647 112.0549 58.3814 63.4077 174.3897 20 S 4.5841 7.7523 114.6024 57.7404 64.3339 173.4594 21 L 4.5330 7.7940 119.4363 51.5341 44.1510 174.5983 22 P 4.4112 0.0000 0.0000 62.3909 32.2422 177.2346 23 S 4.1508 8.8358 115.9113 62.1522 62.6109 177.3960 24 G 3.2646 7.7472 106.8543 46.7124 0.0000 175.2815 25 L 3.9606 7.0726 120.1462 56.8921 42.3515 178.6280 26 I 3.6162 7.3861 119.2079 64.5805 37.0463 177.8451 27 D 4.5846 8.2890 119.7552 57.6069 40.6680 178.8703 28 S 4.1407 7.8136 115.1967 61.9271 62.8873 177.0280 29 I 3.1449 7.3677 121.8376 64.0066 36.7466 178.4089 30 W 4.4240 7.5968 119.0814 60.0140 28.9109 178.4494 31 L 4.1157 8.8184 119.3490 57.6531 40.9263 179.5125 32 I 3.6240 8.2194 120.1575 64.4569 36.9898 178.2477 33 I 3.5331 7.6420 120.3490 64.7909 36.7785 178.3536 34 D 4.3712 8.3752 118.2976 56.6211 40.6709 177.9924 35 L 4.3941 8.4077 118.4788 56.1515 42.6244 177.7857 36 N 4.7357 8.2626 114.2138 53.2698 39.7413 175.3116 37 L 4.4288 7.4466 117.9806 56.0285 43.6994 176.6211 38 K 4.1720 7.9728 117.9110 57.8472 32.3288 177.9047 39 G 3.9722 8.9993 111.4201 45.4382 0.0000 173.8990 40 V 4.1091 8.0751 118.0295 63.7972 32.6547 175.3875 41 I 4.7525 7.2372 109.8062 57.7144 40.6517 172.9203 42 P 4.4953 0.0000 0.0000 62.5637 31.9091 175.5679 43 L 4.9808 8.1582 119.7309 52.8310 44.1051 176.3007 44 N 4.6650 9.5467 122.6389 53.4833 39.7023 174.4012 45 D 4.6683 8.6416 120.4304 54.2398 40.7747 175.1940 46 L 5.6436 8.2458 121.4349 53.6183 45.2767 175.3721 47 L 4.8976 9.0978 125.2580 53.3367 45.4935 175.0933 48 H 5.0884 8.8333 121.2356 54.6933 30.8518 174.2983 49 F 5.3294 9.5998 121.5640 55.9438 42.4057 173.7389 50 D 5.1510 9.4335 124.9902 53.4497 42.5306 175.7112 51 L 5.0974 8.7115 123.9662 53.6535 42.6353 175.9972 52 L 4.9386 9.5816 125.2079 52.4602 45.5892 175.5596 53 N 3.9327 8.1744 120.5480 53.3132 39.7257 174.5973 54 N 4.7142 9.0685 125.3995 52.4354 39.2094 173.4139 55 N 4.4140 9.5718 125.1098 53.6936 36.4564 175.4967 56 G 4.0624 9.6707 108.0935 44.8969 0.0000 173.8602 57 K 4.8174 7.6065 118.3673 54.9290 34.8830 175.8777 58 V 4.6873 8.6275 122.4195 62.9384 33.0421 174.9423 59 T 5.0683 9.3000 123.8461 61.7915 72.2676 172.8702 60 V 5.0271 8.6894 126.4596 61.7113 33.4125 173.8920 61 H 5.0389 9.5942 129.2238 55.3023 31.5477 173.4856 62 F 5.4425 8.5186 127.4892 56.8479 42.2555 174.0454 63 S 3.9605 7.5153 118.1273 57.4452 66.6407 172.7644 64 Q 4.6013 7.6040 116.5825 54.3260 31.2273 174.5029 65 E 3.8891 8.5883 120.1269 57.9789 30.0087 176.5017 66 N 4.2658 9.0447 117.5142 53.8223 35.9088 174.0756 67 S 4.5663 7.7739 109.1679 57.5971 65.1062 174.0501 68 S 4.5135 8.4227 119.0896 58.0809 63.6884 174.4619 69 V 3.7333 7.4227 122.0814 62.9802 31.7446 174.7077 70 E 5.1387 8.5063 125.1528 53.2668 32.9166 174.0491 *72 A 4.4014 8.3221 119.8377 52.5454 19.8761 176.5170 73 I 4.4448 9.0075 123.7165 59.4975 40.1396 174.6745 74 D 4.9098 8.8067 127.9101 53.8549 41.0770 176.0689 75 L 4.7295 8.8254 124.3296 52.2215 43.7492 176.3345 76 P 4.2143 0.0000 0.0000 65.4002 31.7344 176.9654 77 F 4.7099 6.7376 118.1986 57.1904 40.2974 174.5917 78 S 4.8485 8.7840 116.1209 58.2899 62.8804 173.1921 79 Y 4.5508 9.7403 129.9625 57.6481 39.5772 174.7346 80 S 4.2713 7.0094 118.5226 56.2421 65.4822 174.8123 81 T 3.9432 8.1332 115.6804 63.5476 69.0339 175.5808 82 A 4.0204 7.2888 125.0435 54.7647 18.6237 177.7796 83 Y 4.5668 6.7789 112.8496 57.1040 38.4669 174.3413 84 P 4.4624 0.0000 0.0000 62.8836 32.2731 176.7947 85 S 4.6051 8.7072 116.1010 60.8223 64.3127 173.8392 86 R 5.3747 7.8286 114.6853 54.4813 32.6027 174.2186 87 I 4.8087 8.9735 113.1124 59.4200 41.8189 173.7076 88 F 6.0023 9.5293 120.7323 55.8886 42.4940 174.2706 89 A 5.3777 9.3029 124.1142 50.3936 21.4401 175.4808 90 F 5.6500 10.2780 125.3023 56.4725 43.2356 173.2052 91 D 4.7527 7.9002 124.9623 52.3260 42.6920 174.7577 92 D 4.1201 7.8112 125.0840 52.7979 39.8011 177.2638 93 G 3.9168 8.2325 108.9186 45.6700 0.0000 174.5453 94 H 4.7533 8.0221 112.3801 55.3973 31.0037 173.8798 95 R 4.7415 8.1254 115.8855 54.0890 32.0887 174.4575 96 E 5.2170 9.0835 121.5874 55.2993 32.2154 175.1790 97 T 5.4747 9.7654 119.6390 62.2942 73.3847 172.7252 98 I 5.1284 8.8046 126.9236 59.8853 39.5036 174.8730 99 L 4.8674 8.9768 125.9246 54.9126 44.5122 174.0690 100 L 4.4748 8.8168 118.9769 53.0183 42.7804 176.6438 101 P 3.6386 0.0000 0.0000 65.5901 31.3412 177.9314 102 A 4.0493 7.8373 119.2309 54.5270 18.5450 177.7712 103 E 4.2913 7.6508 117.1593 54.9258 28.1447 175.4553 *105 L 4.3923 7.8842 121.1189 53.8932 44.0684 176.8384 106 E 4.2051 7.8415 121.5422 56.2831 29.9348 174.6831 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 F 8.32 4.83 0.00 3.15 3.13 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 3 E 8.02 3.92 0.00 1.94 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 2.20 2.23 0.00 4 R 9.17 4.49 0.00 1.73 1.88 0.00 3.52 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 5 F 8.60 4.02 0.00 3.33 3.22 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 6 D 7.94 4.38 0.00 2.84 2.60 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 7 S 8.55 4.41 0.00 3.95 4.09 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 8 D 9.25 4.55 0.00 2.92 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 9 R 7.04 4.68 0.00 2.15 1.80 0.00 3.22 0.00 0.00 3.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 10 S 8.33 4.21 0.00 4.03 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 11 R 8.01 4.90 0.00 0.87 0.66 0.00 2.41 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.24 0.00 12 Y 9.63 4.89 0.00 2.94 2.95 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 13 A 8.63 5.45 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.10 4.33 0.00 4.02 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 15 L 8.98 4.03 0.00 1.80 1.74 0.94 0.95 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 16 G 8.03 3.68 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 0.00 0.00 0.00 17 V 7.86 3.75 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 1.07 0.00 0.00 0.98 0.00 0.00 18 V 8.04 3.67 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 0.91 0.00 0.00 0.95 0.00 0.00 19 S 7.66 4.63 0.00 4.08 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 20 S 7.75 4.58 0.00 3.80 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 21 L 7.79 4.53 0.00 1.45 1.20 0.71 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.41 0.00 2.04 2.12 0.00 3.12 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 23 S 8.84 4.15 0.00 3.81 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 24 G 7.75 3.26 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 0.00 25 L 7.07 3.96 0.00 1.40 1.41 0.58 0.65 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 26 I 7.39 3.62 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 1.50 0.96 0.90 0.00 0.00 27 D 8.29 4.58 0.00 2.67 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 28 S 7.81 4.14 0.00 3.93 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 29 I 7.37 3.14 1.20 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 -0.25 0.00 0.00 30 W 7.60 4.42 0.00 3.43 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 31 L 8.82 4.12 0.00 1.77 1.74 0.97 0.92 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 32 I 8.22 3.62 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 0.89 0.00 0.00 33 I 7.64 3.53 2.09 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.77 0.75 0.00 0.00 34 D 8.38 4.37 0.00 2.64 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 35 L 8.41 4.39 0.00 1.72 1.70 0.93 1.04 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 36 N 8.26 4.74 0.00 2.79 2.82 0.00 0.00 6.92 8.29 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 37 L 7.45 4.43 0.00 1.72 1.50 0.70 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 4.17 0.00 1.73 1.76 0.00 1.99 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.44 7.81 39 G 9.00 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.08 4.11 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 0.85 0.00 0.00 0.94 0.00 0.00 41 I 7.24 4.75 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.94 0.95 0.00 0.00 42 P 0.00 4.50 0.00 2.22 2.11 0.00 3.49 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 43 L 8.16 4.98 0.00 1.78 1.88 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.55 4.67 0.00 2.89 2.99 0.00 0.00 7.27 8.49 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 45 D 8.64 4.67 0.00 2.91 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 46 L 8.25 5.64 0.00 1.80 1.58 0.87 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 47 L 9.10 4.90 0.00 2.00 1.36 1.29 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 H 8.83 5.09 0.00 3.05 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.60 5.33 0.00 2.95 2.96 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 0.00 50 D 9.43 5.15 0.00 2.78 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.71 5.10 0.00 1.68 1.81 0.87 0.91 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 52 L 9.58 4.94 0.00 1.45 1.50 0.95 0.43 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 53 N 8.17 3.93 0.00 1.44 2.22 0.00 0.00 6.72 7.79 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 54 N 9.07 4.71 0.00 2.73 2.74 0.00 0.00 6.88 6.41 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 55 N 9.57 4.41 0.00 2.84 2.84 0.00 0.00 7.43 7.65 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 56 G 9.67 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.61 4.82 0.00 1.94 1.94 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.40 7.81 58 V 8.63 4.69 2.27 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 1.18 0.00 0.00 1.30 0.00 0.00 59 T 9.30 5.07 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 1.33 0.00 0.00 60 V 8.69 5.03 2.18 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 0.99 0.00 0.00 0.97 0.00 0.00 61 H 9.59 5.04 0.00 3.31 3.24 0.00 5.79 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 62 F 8.52 5.44 0.00 3.18 2.87 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 63 S 7.52 3.96 0.00 3.54 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 64 Q 7.60 4.60 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.98 0.00 0.00 0.00 0.00 0.00 2.04 2.33 0.00 65 E 8.59 3.89 0.00 1.95 1.90 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 2.28 2.26 0.00 66 N 9.04 4.27 0.00 2.87 2.93 0.00 0.00 6.71 7.57 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 67 S 7.77 4.57 0.00 3.78 3.62 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 68 S 8.42 4.51 0.00 3.99 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 69 V 7.42 3.73 2.12 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 0.91 0.00 0.00 0.97 0.00 0.00 70 E 8.51 5.14 0.00 1.95 1.74 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 2.17 2.19 0.00 *72 A 8.32 4.40 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 73 I 9.01 4.44 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.68 0.92 0.00 0.00 74 D 8.81 4.91 0.00 2.56 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 75 L 8.83 4.73 0.00 1.81 1.54 1.06 0.88 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 76 P 0.00 4.21 0.00 1.70 1.91 0.00 3.34 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.52 0.00 77 F 6.74 4.71 0.00 3.28 3.05 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 78 S 8.78 4.85 0.00 4.01 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 79 Y 9.74 4.55 0.00 2.99 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 S 7.01 4.27 0.00 3.24 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.13 3.94 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 82 A 7.29 4.02 1.14 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 0.00 0.00 83 Y 6.78 4.57 0.00 2.84 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 84 P 0.00 4.46 0.00 2.16 2.04 0.00 3.82 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 1.96 1.92 0.00 85 S 8.71 4.61 0.00 3.99 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 86 R 7.83 5.37 0.00 2.01 2.10 0.00 3.27 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 87 I 8.97 4.81 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.33 0.87 0.00 0.00 88 F 9.53 6.00 0.00 3.05 2.91 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 0.00 0.00 0.00 89 A 9.30 5.38 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 90 F 10.28 5.65 0.00 3.14 3.08 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 0.00 0.00 0.00 0.00 91 D 7.90 4.75 0.00 1.58 1.80 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 92 D 7.81 4.12 0.00 2.78 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 94 H 8.02 4.75 0.00 3.20 3.29 0.00 5.47 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.13 4.74 0.00 1.95 1.98 0.00 2.70 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 96 E 9.08 5.22 0.00 1.93 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 2.16 2.18 0.00 97 T 9.77 5.47 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 98 I 8.80 5.13 1.83 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.14 0.83 0.00 0.00 99 L 8.98 4.87 0.00 1.90 1.84 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 100 L 8.82 4.47 0.00 1.83 1.51 0.87 0.97 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 0.00 101 P 0.00 3.64 0.00 1.78 1.74 0.00 3.43 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 0.00 102 A 7.84 4.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 7.65 4.29 0.00 2.13 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 0.00 2.28 2.24 0.00 *105 L 7.88 4.39 0.00 1.63 1.76 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 106 E 7.84 4.21 0.00 1.85 1.72 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 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.