NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2942 8.3149 120.0802 56.1862 33.6208 175.3944 3 N 4.6636 8.6372 121.5313 52.3244 40.6483 168.2975 4 V 4.9087 9.8782 121.6147 61.3890 34.5901 173.8542 5 L 5.1514 9.2875 128.2107 53.4872 43.9403 175.4495 6 I 4.9712 9.2493 124.3233 59.6119 40.2059 174.4556 7 I 5.1279 8.5530 127.9125 59.5727 40.0074 174.4441 8 F 5.5601 8.7042 126.4173 55.2370 41.4036 175.1952 9 G 4.5036 8.2961 108.6709 45.0619 0.0000 172.0098 10 K 5.0024 8.8203 122.5233 55.4611 32.6230 175.1089 11 P 4.3612 0.0000 0.0000 63.4419 32.3499 174.8702 12 Y 4.2479 8.1547 113.4451 58.2767 35.5833 170.9492 13 C 4.9014 7.5864 112.8110 55.4384 34.2699 173.4232 14 S 4.3458 8.7309 120.2781 61.2432 62.2283 176.9136 15 I 3.7191 7.7261 122.6561 64.3399 36.9805 177.7941 16 C 4.1771 8.0317 118.7615 62.5871 31.1483 175.2644 17 E 3.9750 8.3171 120.2054 59.4782 29.0055 179.1339 18 N 4.3748 8.8449 116.9574 56.2086 38.5038 177.7327 19 V 3.6221 7.8945 119.7979 65.8919 31.5903 178.2496 20 S 4.1414 8.2099 114.9372 61.8023 62.5147 176.3170 21 D 4.3414 7.9299 119.7727 57.3055 40.7258 178.4903 22 A 4.1374 7.9881 121.0852 55.3374 18.4035 179.8299 23 V 3.5277 8.0100 116.8863 66.1482 31.0561 177.7754 24 E 4.1277 8.9528 119.0675 58.9130 29.1966 178.2911 25 E 4.2165 7.9285 117.4224 58.1080 29.6898 177.8293 26 L 4.6712 7.9791 119.1421 54.5296 41.6680 178.0220 27 K 4.2554 8.0502 123.7120 58.8033 31.7220 178.9353 28 S 3.9423 8.1553 113.1171 60.3151 63.2341 174.3160 29 E 4.4327 8.0645 116.5553 56.1401 30.0281 175.8327 30 Y 5.2031 7.6601 117.7082 56.6978 42.8896 173.9826 31 D 4.9657 9.0937 122.4116 53.5723 43.0335 175.5317 32 I 5.0139 8.3189 121.9159 59.5242 40.4040 174.7210 33 L 4.8102 9.0034 126.7091 53.1619 44.7875 175.0050 34 H 5.2684 8.7920 119.6590 53.9343 31.3408 173.5940 35 V 4.1379 8.7999 123.8733 60.9254 33.4911 174.2573 36 D 5.1035 8.6829 128.3681 54.2411 41.7610 175.8150 37 I 4.3985 8.4521 124.2916 60.0147 37.9947 175.7822 38 L 4.5597 8.5877 126.1237 54.9161 42.8959 176.6444 39 S 4.6249 7.3696 112.5715 56.9629 65.2329 172.9438 40 F 4.8947 8.9009 125.6528 55.5148 42.0394 174.1022 41 F 4.7795 8.9580 125.7072 56.2251 41.3890 173.6709 42 L 4.3212 7.7882 129.9215 52.4036 43.0088 175.6823 43 K 3.4882 8.2307 127.6153 56.3265 32.7196 176.0002 44 D 4.4674 8.7237 125.6619 54.1822 41.4437 178.0835 45 G 3.6380 8.5009 108.8214 48.7982 0.0000 174.9778 46 D 4.4848 8.1844 118.9399 56.9186 40.9902 177.5130 47 S 4.6558 7.9032 113.4419 59.0350 65.4449 175.0230 48 S 4.2992 8.0293 110.0559 58.0160 62.3715 176.6701 *50 L 4.0054 9.0056 115.3847 53.9753 43.1712 175.3692 51 G 3.7380 8.5154 114.9545 45.8979 0.0000 173.6557 52 D 4.6130 8.4677 125.8974 53.2957 39.6728 176.5779 53 V 4.5394 7.2761 110.8958 59.3600 37.4933 175.2393 54 K 3.8410 8.6465 120.6978 60.0416 31.7180 178.3521 55 R 3.9686 8.0820 118.2189 59.5579 30.0485 178.6156 56 G 4.1414 7.9200 106.2521 47.5988 0.0000 175.4889 57 T 3.8810 8.3060 118.6146 66.4469 68.4569 176.3336 58 L 3.9945 7.9195 122.0465 58.1476 42.0737 179.2023 59 I 3.9704 7.6696 120.1405 64.1550 37.0098 178.3582 60 G 3.6931 8.4659 107.0746 48.0219 0.0000 174.9878 61 N 4.2015 8.5514 119.6602 56.2522 38.6424 177.5109 62 F 4.3697 8.1291 118.4977 60.4663 38.7515 177.5663 63 A 4.0234 8.5728 119.6581 55.2171 18.4858 179.2306 64 A 4.0074 8.4093 119.6594 55.5552 18.4462 179.3569 65 H 4.2137 8.4785 116.6473 59.1990 29.8774 177.2465 66 L 4.3480 7.9244 120.2581 56.9154 41.4675 179.1510 67 S 3.8513 7.8581 114.6789 61.0177 62.3400 175.7198 68 N 4.4576 7.7820 118.3775 54.6347 38.3017 174.9314 69 Y 4.6102 7.6998 116.8354 57.4284 39.3700 175.4576 70 I 4.1770 7.4524 121.8849 60.9737 38.2111 175.3670 71 V 4.6909 8.4401 126.8358 61.5196 34.4336 174.1549 72 S 4.9982 9.4965 124.1133 56.7850 66.1177 173.1007 73 I 5.1594 8.2765 123.8987 59.5816 40.4209 174.4576 74 F 5.6133 9.6903 124.4885 55.5918 43.0372 173.7744 75 K 5.1356 9.2614 123.2383 54.8644 34.2119 174.6197 76 Y 5.1398 9.3756 128.1518 55.8922 42.3467 173.4008 77 N 5.0989 8.3635 125.4950 50.6436 39.6671 173.8445 78 P 4.1272 0.0000 0.0000 65.2946 31.9801 178.3241 79 Q 4.0578 8.0959 116.8086 58.7335 28.8140 177.2082 80 T 4.0208 7.9578 105.9866 61.4057 69.4189 174.8183 81 K 3.7766 7.8112 120.1786 57.4732 30.0057 174.9172 82 Q 5.1232 7.4817 118.4916 53.2149 32.5532 174.3109 *84 A 4.7147 8.2447 119.3447 52.6299 20.3986 175.9140 85 F 5.2860 9.1923 123.3914 56.6000 40.5481 175.4421 86 V 3.5736 8.2162 127.5472 62.5428 32.1990 175.2617 87 D 4.1908 8.3661 127.8047 53.1208 40.9039 175.5541 88 I 5.0520 7.7122 118.9921 60.0048 38.7413 177.1983 89 N 4.4166 8.3588 120.2584 56.8688 38.4024 177.4120 90 K 4.1265 7.6919 115.2056 58.5708 32.3343 178.2019 91 S 4.2277 7.9855 113.0432 59.2814 62.6436 173.1421 92 L 5.2260 7.5141 119.4960 52.0093 43.5325 175.4174 93 D 4.4991 8.0069 123.2909 52.5896 40.9746 176.0809 94 F 4.5934 8.3759 124.4795 58.3561 39.2432 176.6504 95 T 4.3277 8.2313 110.6065 61.7034 69.2384 174.8725 96 K 4.4340 7.8178 121.5512 55.8131 33.2836 177.2489 97 T 2.9918 6.1876 109.1838 61.4502 69.7423 173.1692 98 D 4.4491 7.7696 128.3412 54.9455 45.4431 178.8483 99 K 3.8760 7.3985 117.9057 59.9919 32.8818 178.5630 100 S 4.8495 7.6662 113.1955 57.8746 62.9991 174.5054 101 L 4.2574 7.8420 120.1535 56.8507 41.4380 176.3833 102 V 4.4706 7.0297 119.2189 60.8397 33.2293 174.3677 103 N 4.5302 8.8990 127.6558 52.6193 38.6562 175.3199 104 L 4.0150 8.4864 128.6581 58.0498 42.2032 178.5631 105 E 3.9502 8.1580 118.2442 59.4607 29.5572 179.0788 106 I 3.6853 8.3773 120.2196 64.1591 37.0542 178.2868 107 L 3.8450 7.9411 121.0877 57.9474 42.0576 178.5899 108 K 3.8208 8.2248 119.9432 59.7407 32.0653 178.2885 109 S 4.0645 7.9925 112.9590 61.7070 62.2549 175.9148 110 E 3.9370 8.6021 121.4184 59.4985 28.8306 179.6328 111 I 3.6113 7.9445 119.8948 64.5021 36.9995 178.3986 112 E 4.0951 7.9529 117.6603 58.9246 29.3430 179.0591 113 K 4.1989 7.9515 117.4754 57.1394 32.3503 177.3632 114 A 3.8922 6.9667 122.2636 52.5347 18.3358 177.2471 115 T 4.0694 8.4542 120.4049 63.5989 69.1471 173.6365 116 Y 4.4843 8.5357 124.6238 57.7482 38.5676 174.9310 117 G 4.1753 8.1527 110.5864 45.3997 0.0000 171.5137 118 V 4.3742 8.3793 118.4482 60.5797 33.4287 174.6492 119 W 5.0088 8.4697 127.2308 54.2979 30.1486 173.9540 120 P 4.4830 0.0000 0.0000 61.5723 31.3598 174.5800 121 P 4.4237 0.0000 0.0000 62.9220 31.1921 175.9115 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 K 8.31 4.29 0.00 1.66 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.42 7.81 3 N 8.64 4.66 0.00 3.03 3.13 0.00 0.00 6.56 6.79 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 4 V 9.88 4.91 2.35 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 1.21 0.00 0.00 1.09 0.00 0.00 5 L 9.29 5.15 0.00 1.51 1.48 0.36 0.26 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 6 I 9.25 4.97 2.21 0.00 0.00 1.00 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 0.61 0.96 0.00 0.00 7 I 8.55 5.13 1.85 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 1.24 1.00 0.98 0.00 0.00 8 F 8.70 5.56 0.00 3.19 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 9 G 8.30 4.50 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 0.00 0.00 0.00 10 K 8.82 5.00 0.00 1.96 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.68 7.81 11 P 0.00 4.36 0.00 2.24 2.34 0.00 4.13 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 12 Y 8.15 4.25 0.00 3.21 3.07 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 13 C 7.59 4.90 0.00 3.02 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 14 S 8.73 4.35 0.00 4.21 4.23 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 15 I 7.73 3.72 2.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.53 1.19 0.00 0.00 16 C 8.03 4.18 0.00 3.02 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 17 E 8.32 3.98 0.00 2.22 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 2.24 2.39 0.00 18 N 8.84 4.37 0.00 2.91 2.87 0.00 0.00 6.64 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 19 V 7.89 3.62 2.13 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 1.14 0.00 0.00 1.02 0.00 0.00 20 S 8.21 4.14 0.00 4.07 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 21 D 7.93 4.34 0.00 2.81 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 22 A 7.99 4.14 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 23 V 8.01 3.53 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 0.98 0.00 0.00 0.91 0.00 0.00 24 E 8.95 4.13 0.00 2.31 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 0.00 2.33 2.43 0.00 25 E 7.93 4.22 0.00 2.07 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 2.36 2.68 0.00 26 L 7.98 4.67 0.00 1.96 1.98 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.05 4.26 0.00 2.18 1.86 0.00 1.61 0.00 0.00 1.95 0.00 0.00 3.11 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.40 7.81 28 S 8.16 3.94 0.00 4.00 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 29 E 8.06 4.43 0.00 1.51 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 2.10 1.82 0.00 30 Y 7.66 5.20 0.00 2.98 2.82 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 0.00 0.00 0.00 31 D 9.09 4.97 0.00 2.69 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 32 I 8.32 5.01 1.88 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 1.35 0.68 0.75 0.00 0.00 33 L 9.00 4.81 0.00 1.56 1.46 0.93 0.79 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 34 H 8.79 5.27 0.00 2.91 3.15 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.80 4.14 0.72 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 0.74 0.00 0.00 0.43 0.00 0.00 36 D 8.68 5.10 0.00 2.60 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 37 I 8.45 4.40 2.01 0.00 0.00 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 1.39 0.72 0.40 0.00 0.00 38 L 8.59 4.56 0.00 1.61 1.72 0.93 0.90 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 39 S 7.37 4.62 0.00 3.76 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 40 F 8.90 4.89 0.00 3.05 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 41 F 8.96 4.78 0.00 2.94 2.98 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 42 L 7.79 4.32 0.00 1.50 1.33 0.87 0.54 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 43 K 8.23 3.49 0.00 1.75 1.69 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.76 7.81 44 D 8.72 4.47 0.00 2.75 2.62 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 45 G 8.50 3.64 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 0.00 0.00 0.00 46 D 8.18 4.48 0.00 2.69 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 S 7.90 4.66 0.00 3.88 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 48 S 8.03 4.30 0.00 3.95 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 *50 L 9.01 4.01 0.00 1.62 1.64 1.01 0.95 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 51 G 8.52 3.74 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 0.00 0.00 0.00 52 D 8.47 4.61 0.00 2.80 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 53 V 7.28 4.54 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 0.82 0.00 0.00 0.93 0.00 0.00 54 K 8.65 3.84 0.00 1.81 1.85 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.54 7.81 55 R 8.08 3.97 0.00 1.97 1.92 0.00 3.30 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 56 G 7.92 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 0.00 0.00 0.00 57 T 8.31 3.88 4.37 0.00 0.00 0.00 0.00 0.00 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 58 L 7.92 3.99 0.00 1.89 1.91 0.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.67 3.97 2.03 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 1.51 0.72 0.94 0.00 0.00 60 G 8.47 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.55 4.20 0.00 2.73 2.62 0.00 0.00 7.11 8.02 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 62 F 8.13 4.37 0.00 3.23 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 63 A 8.57 4.02 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 64 A 8.41 4.01 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 65 H 8.48 4.21 0.00 3.29 3.69 0.00 5.79 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 66 L 7.92 4.35 0.00 1.89 1.71 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.86 3.85 0.00 2.72 3.12 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 68 N 7.78 4.46 0.00 2.08 2.38 0.00 0.00 6.82 7.60 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 69 Y 7.70 4.61 0.00 2.87 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 70 I 7.45 4.18 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.60 1.09 0.00 0.00 71 V 8.44 4.69 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 0.89 0.00 0.00 1.04 0.00 0.00 72 S 9.50 5.00 0.00 3.89 3.73 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 73 I 8.28 5.16 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 0.95 0.00 0.00 74 F 9.69 5.61 0.00 3.17 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 75 K 9.26 5.14 0.00 1.71 1.64 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.60 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.54 1.46 7.81 76 Y 9.38 5.14 0.00 3.05 2.84 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 0.00 0.00 0.00 0.00 77 N 8.36 5.10 0.00 2.45 2.14 0.00 0.00 7.09 8.46 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 78 P 0.00 4.13 0.00 2.04 2.16 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 79 Q 8.10 4.06 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 80 T 7.96 4.02 4.04 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 0.99 0.00 0.00 81 K 7.81 3.78 0.00 1.86 2.03 0.00 1.64 0.00 0.00 1.53 0.00 0.00 3.11 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.50 7.81 82 Q 7.48 5.12 0.00 1.67 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 *84 A 8.24 4.71 1.06 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 85 F 9.19 5.29 0.00 3.29 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 86 V 8.22 3.57 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 0.64 0.00 0.00 0.85 0.00 0.00 87 D 8.37 4.19 0.00 2.41 2.43 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 88 I 7.71 5.05 1.85 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 1.37 0.95 0.83 0.00 0.00 89 N 8.36 4.42 0.00 2.98 2.97 0.00 0.00 6.98 6.56 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 90 K 7.69 4.13 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.35 7.81 91 S 7.99 4.23 0.00 4.02 4.04 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 92 L 7.51 5.23 0.00 1.03 0.24 1.15 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.01 4.50 0.00 2.54 2.43 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 94 F 8.38 4.59 0.00 2.97 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 95 T 8.23 4.33 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 1.23 0.00 0.00 96 K 7.82 4.43 0.00 1.91 1.74 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.46 7.81 97 T 6.19 2.99 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 1.21 0.00 0.00 98 D 7.77 4.45 0.00 2.67 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 99 K 7.40 3.88 0.00 1.82 1.84 0.00 1.73 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.41 7.81 100 S 7.67 4.85 0.00 3.95 3.91 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 0.00 101 L 7.84 4.26 0.00 1.99 1.90 0.87 0.70 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 0.00 102 V 7.03 4.47 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 0.75 0.00 0.00 0.94 0.00 0.00 103 N 8.90 4.53 0.00 2.70 2.65 0.00 0.00 6.41 7.44 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 0.00 104 L 8.49 4.02 0.00 1.79 1.64 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.16 3.95 0.00 2.16 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 2.39 2.34 0.00 106 I 8.38 3.69 1.84 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 1.39 0.63 0.92 0.00 0.00 107 L 7.94 3.85 0.00 1.82 1.81 0.87 0.52 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 0.00 108 K 8.22 3.82 0.00 2.00 1.98 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.56 7.81 109 S 7.99 4.06 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 0.00 110 E 8.60 3.94 0.00 2.09 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 2.27 2.41 0.00 111 I 7.94 3.61 1.99 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.70 0.00 0.00 112 E 7.95 4.10 0.00 2.12 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 0.00 2.48 2.61 0.00 113 K 7.95 4.20 0.00 1.85 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.63 7.81 114 A 6.97 3.89 1.16 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 0.00 0.00 0.00 115 T 8.45 4.07 4.31 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 1.33 0.00 0.00 116 Y 8.54 4.48 0.00 3.01 2.81 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 0.00 117 G 8.15 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 0.00 0.00 0.00 118 V 8.38 4.37 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 0.92 0.00 0.00 119 W 8.47 5.01 0.00 3.44 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 0.00 120 P 0.00 4.48 0.00 2.22 2.13 0.00 3.96 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 121 P 0.00 4.42 0.00 2.07 2.07 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.