NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.2406 8.1849 120.6354 53.5758 43.2377 176.0314 8 P 4.3088 0.0000 0.0000 61.1449 31.9075 173.4111 9 P 4.3266 0.0000 0.0000 65.0698 32.2940 176.8364 10 G 3.5810 9.2046 111.5325 44.4200 0.0000 171.9510 11 W 5.3347 7.6588 119.6427 55.2086 30.5310 175.6927 12 E 4.9713 9.6279 122.0802 54.3130 32.9345 174.6288 13 K 4.3552 8.7659 122.4329 56.2896 33.4469 175.4301 14 A 4.5955 8.2329 127.3638 50.6895 23.4890 173.9099 15 M 5.2169 8.2572 117.7358 53.6950 35.0382 175.2079 16 S 4.3393 9.4246 121.6005 58.3929 63.2242 175.3952 17 R 4.0186 8.7924 125.9012 59.3113 30.3408 178.2588 18 S 4.4113 8.2399 112.9420 60.5504 63.3454 175.1207 19 S 4.4619 7.9640 112.5705 57.5641 64.0058 175.5260 20 G 4.0171 8.1973 107.6973 45.2745 0.0000 173.7639 21 R 4.3056 7.8414 119.6015 55.5526 31.3718 176.4167 22 V 4.2955 8.5432 122.8383 64.0109 32.4279 174.3918 23 Y 4.9969 8.4328 123.7858 56.2264 42.1967 172.7075 24 Y 5.0656 9.2990 115.8566 56.2763 42.0207 174.8806 25 F 5.6037 9.5780 124.9007 56.4976 43.3840 172.8460 26 N 4.5301 7.8129 125.0396 51.6811 39.9417 174.3788 27 H 4.0761 8.3021 121.8733 56.5105 28.7684 176.3050 28 I 3.9709 7.7436 120.7783 63.0986 37.8979 176.7693 29 T 4.0711 7.4078 108.2394 60.8510 69.6243 175.3292 30 N 4.2437 7.9497 118.5085 53.8269 36.9263 173.5879 31 A 4.4264 7.3161 120.8545 51.9612 19.6846 177.5545 32 S 5.6755 8.6000 114.0919 57.0305 66.3841 173.2065 33 Q 4.6051 9.2108 118.7708 55.0081 31.6218 175.6779 34 W 4.5435 8.9833 121.7987 59.8843 29.4716 177.0304 35 E 4.3907 8.0999 114.4120 55.1045 30.1582 176.1797 36 R 2.5100 8.1326 121.0976 55.2199 31.0615 176.4006 37 P 3.9106 0.0000 0.0000 61.4341 30.5484 175.1628 *51 E 4.1078 8.6105 123.4243 56.2864 30.3506 174.5991 52 P 4.5537 0.0000 0.0000 62.1101 32.4120 176.2825 53 A 4.2258 8.5434 122.3592 54.8502 18.6131 178.2621 54 R 5.0705 7.6657 112.0947 54.7798 34.2880 175.3028 55 V 4.3408 7.9560 114.1801 59.3958 36.5046 174.2660 56 R 4.8997 8.3213 122.3536 54.0171 32.6521 174.4414 57 C 5.3436 8.7553 121.6781 58.3684 33.2771 172.9493 58 S 5.6338 8.7526 116.7164 57.6265 65.8985 172.6450 59 H 5.9204 9.4007 116.0906 54.6256 32.7546 171.7701 60 L 4.8395 9.2141 120.4519 53.1332 44.9933 174.5317 61 L 4.9919 8.7008 128.3133 53.2056 44.7597 174.9365 62 V 4.7207 8.9139 126.3201 61.1149 33.6296 175.2538 63 K 4.6687 9.1024 128.2966 56.3511 33.5723 175.6292 64 H 4.8816 8.7337 116.4847 54.3395 31.4672 174.2310 65 S 4.1206 8.7771 113.4794 61.0140 62.7967 174.9738 66 Q 4.4449 8.1654 117.8864 55.5878 28.9478 175.8955 67 S 4.3575 7.7010 115.0749 58.4665 63.5394 174.4017 68 R 4.0084 8.8128 124.2600 59.0914 29.7383 177.1223 69 R 4.4434 7.4831 118.0633 53.5231 30.8490 173.2950 70 P 4.6281 0.0000 0.0000 60.9065 30.2371 176.3904 71 S 4.8608 7.3224 111.0255 58.0870 66.0601 172.4570 72 S 4.6336 8.8628 120.0359 56.6576 65.8776 174.9146 73 W 4.3654 8.8797 117.0603 59.6245 27.6195 177.6931 74 R 3.4279 6.7256 117.3923 58.1956 29.7797 176.9479 75 Q 4.3661 7.6841 118.3273 54.6645 32.2490 174.4720 76 E 3.7929 9.0180 126.9234 58.1437 29.9389 176.1800 77 K 4.3751 7.7706 119.4317 54.3966 33.5499 174.8110 78 I 4.1889 8.6011 129.1013 60.6124 37.6505 176.1739 79 T 4.5350 8.2701 114.0180 60.8388 70.2819 174.6173 80 R 4.1592 7.7461 119.8752 56.3601 30.1436 176.3569 81 T 4.4128 8.8213 111.1414 61.0708 71.0216 175.4833 82 K 3.6265 8.5684 122.4619 59.9860 32.0255 178.3664 83 E 3.9806 8.1250 118.7257 59.3481 29.6300 178.5138 84 E 3.9437 8.2558 118.4948 59.2036 29.4182 179.0511 85 A 3.9689 8.2930 121.2120 55.1250 18.3404 179.4974 86 L 3.8430 7.9611 118.8463 58.0074 42.1789 178.6781 87 E 3.8373 8.2212 119.3815 59.1477 29.5669 178.7221 88 L 3.4676 7.7492 118.7842 57.7636 41.6536 179.2884 89 I 3.7623 7.7351 119.8286 64.9060 37.1306 178.2831 90 N 4.5369 8.4214 117.2404 56.1042 38.3234 177.8425 91 G 3.4930 7.9557 107.3424 47.7946 0.0000 175.5406 92 Y 4.4239 7.7610 119.0345 60.8949 37.8653 178.1136 93 I 3.8105 8.2812 121.2389 64.7278 37.2604 178.4092 94 Q 4.0599 8.2113 118.5625 59.0762 28.5833 179.1948 95 K 4.0763 8.2534 119.4328 59.4183 32.0296 179.6188 96 I 4.3666 8.1017 121.7589 63.9424 36.8772 178.6732 97 K 4.1332 8.3800 118.9631 59.2847 31.9884 179.2666 98 S 4.3578 8.2529 113.3859 59.2034 63.0981 175.5131 99 G 3.9708 7.8906 110.0518 45.5959 0.0000 174.1244 100 E 4.1203 8.0960 120.8212 58.3497 30.0630 176.8712 101 E 4.8037 8.2886 116.8046 53.7956 33.6863 174.6302 102 D 5.1015 8.2814 121.2592 51.9249 42.6676 177.2958 103 F 3.9883 8.7723 121.9943 61.8169 39.2700 177.0813 104 E 3.9962 8.4273 117.4332 59.5579 29.3881 179.3002 105 S 3.9873 8.1717 112.7501 61.3801 62.4419 176.2529 106 L 3.9051 7.7320 121.1644 57.2972 41.2507 179.3995 107 A 3.6914 7.8244 121.2725 55.1722 18.0077 179.6393 108 S 4.1949 7.9630 113.7772 61.9886 62.6511 177.2216 109 Q 3.7977 7.4522 118.9596 58.0566 28.5702 177.0828 110 F 4.9557 7.7744 114.6027 56.8718 40.8013 175.6616 111 S 4.4184 8.1101 116.6072 58.4141 62.5353 173.4004 112 D 4.4764 9.0805 126.7355 54.7708 40.9625 175.9631 113 C 4.6587 7.7902 120.6434 58.0361 32.7577 174.5037 114 S 4.2149 8.7071 120.2483 61.1735 62.4345 176.2693 115 S 4.2475 8.1629 116.6341 59.7768 62.7156 175.4403 116 A 3.9584 8.1911 125.9904 55.4907 17.8602 179.3936 117 K 3.9042 7.4188 114.6822 58.3357 33.0304 177.9257 118 A 4.6587 7.9850 122.9596 51.7469 20.1889 176.9286 119 R 3.5190 8.0558 116.3818 57.9646 28.4813 178.0779 120 G 4.1276 8.2423 103.6373 46.2238 0.0000 173.5250 121 D 5.0322 7.8674 119.5868 53.8105 41.4593 175.9298 122 L 4.3874 8.8668 125.9071 53.9074 42.3803 177.9262 123 G 3.8514 8.5706 108.8164 44.5125 0.0000 172.1663 124 A 4.7525 8.3354 119.8802 51.2584 20.2954 177.0193 125 F 5.2180 8.4695 114.8423 55.8018 42.0796 173.0002 126 S 5.4478 9.2828 114.3702 56.1564 65.8747 174.0074 127 R 4.1075 8.2741 118.6820 57.4046 30.1143 177.5516 128 G 4.0209 9.5511 109.1720 45.5794 0.0000 174.0116 129 Q 4.4070 7.9993 117.3022 57.0018 30.6893 175.8982 130 M 4.3119 7.6704 115.2918 53.4899 33.9110 176.1890 131 Q 4.1542 8.1731 118.5750 56.0867 30.6686 178.0178 132 K 4.0004 8.6011 123.8557 59.3501 32.4958 177.5665 133 P 4.3447 0.0000 0.0000 65.3700 31.1743 178.3864 134 F 3.8165 8.2184 119.1181 61.1140 39.3502 176.6154 135 E 4.3309 8.7432 119.2770 59.6085 29.3865 178.4482 136 D 4.4034 8.6390 119.0874 57.3422 40.9600 178.6529 137 A 3.8891 7.8794 121.0081 55.2147 18.1461 179.7189 138 S 3.9201 7.8605 112.4597 61.9168 63.1189 176.8223 139 F 4.1452 8.4854 117.6490 59.1131 38.7999 176.7102 140 A 4.3729 7.4511 119.4172 52.1557 19.4935 177.6213 141 L 4.2867 6.9449 116.8262 54.5521 42.4908 177.3026 142 R 4.2470 9.0531 121.2912 55.5457 30.9302 176.5339 143 T 3.8742 8.2623 117.1505 65.6819 68.7192 174.6900 144 G 3.9388 9.1892 115.4704 44.9958 0.0000 173.1676 145 E 4.3499 8.1586 121.3287 55.8472 31.1071 174.7780 146 M 5.1027 8.3979 124.9315 53.6028 34.6652 175.4910 147 S 4.3327 9.1879 120.9985 58.1291 64.5503 173.8796 148 G 4.2240 8.0961 109.4082 43.6088 0.0000 171.2439 149 P 4.5537 0.0000 0.0000 62.6733 32.1855 176.2637 150 V 4.5476 8.7601 124.2283 61.1482 34.3630 173.9856 151 F 5.3643 9.2663 126.5848 56.4395 40.7213 175.1589 152 T 4.8337 8.9555 112.2331 60.2384 72.1100 174.1701 153 D 4.5816 8.6425 119.5555 56.8057 41.0424 179.1700 154 S 4.2676 8.3028 115.6411 59.3890 63.9028 175.2355 155 G 3.8734 6.4990 108.8526 45.8053 0.0000 170.8917 156 I 4.7168 8.1800 124.1785 59.7496 40.0722 174.7680 157 H 5.5413 9.2994 122.8750 54.1212 32.8377 172.5603 158 I 4.7890 8.8707 122.2104 59.7542 39.7328 174.5756 159 I 4.9419 8.9158 128.1423 59.3512 40.0709 174.2155 160 L 4.7299 8.7289 129.2123 53.0825 44.3509 174.9355 161 R 4.6912 8.7397 128.2020 56.0313 30.5970 176.5137 162 T 4.6133 9.0203 116.6953 62.1340 71.0654 174.5994 163 E 4.1480 7.6629 126.3038 56.5988 30.7054 174.6917 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 7 L 8.18 4.24 0.00 1.77 1.63 1.13 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.31 0.00 2.51 2.08 0.00 3.53 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 9 P 0.00 4.33 0.00 2.03 2.03 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 10 G 9.20 3.58 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 0.00 0.00 0.00 11 W 7.66 5.33 0.00 3.33 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 12 E 9.63 4.97 0.00 2.05 2.14 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 2.33 2.27 0.00 13 K 8.77 4.36 0.00 1.86 1.71 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.84 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.18 0.95 7.81 14 A 8.23 4.60 0.54 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 0.00 0.00 15 M 8.26 5.22 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 16 S 9.42 4.34 0.00 4.23 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 0.00 17 R 8.79 4.02 0.00 1.84 1.99 0.00 3.42 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 18 S 8.24 4.41 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 7.96 4.46 0.00 3.89 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 20 G 8.20 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 0.00 0.00 0.00 0.00 21 R 7.84 4.31 0.00 1.81 2.03 0.00 2.91 0.00 0.00 2.92 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 22 V 8.54 4.30 2.14 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 0.47 0.00 0.00 0.93 0.00 0.00 23 Y 8.43 5.00 0.00 2.88 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 24 Y 9.30 5.07 0.00 2.90 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 25 F 9.58 5.60 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 26 N 7.81 4.53 0.00 1.44 1.48 0.00 0.00 6.72 7.88 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 27 H 8.30 4.08 0.00 3.21 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.74 3.97 1.70 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 1.20 0.14 0.86 0.00 0.00 29 T 7.41 4.07 4.07 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 1.01 0.00 0.00 30 N 7.95 4.24 0.00 3.09 3.09 0.00 0.00 6.73 7.03 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 31 A 7.32 4.43 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 32 S 8.60 5.68 0.00 4.00 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 33 Q 9.21 4.61 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 34 W 8.98 4.54 0.00 3.42 3.34 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 35 E 8.10 4.39 0.00 2.03 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 2.37 2.29 0.00 36 R 8.13 2.51 0.00 1.22 1.59 0.00 3.12 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.05 0.00 37 P 0.00 3.91 0.00 1.14 0.49 0.00 2.71 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.44 0.00 *51 E 8.61 4.11 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 52 P 0.00 4.55 0.00 2.41 2.03 0.00 3.97 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 1.98 1.92 0.00 53 A 8.54 4.23 1.33 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 0.00 0.00 54 R 7.67 5.07 0.00 1.62 1.70 0.00 3.18 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 55 V 7.96 4.34 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 -0.49 0.00 0.00 56 R 8.32 4.90 0.00 1.74 1.73 0.00 3.06 0.00 0.00 3.32 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 57 C 8.76 5.34 0.00 3.30 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 58 S 8.75 5.63 0.00 3.77 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 59 H 9.40 5.92 0.00 3.68 3.77 0.00 5.22 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 9.21 4.84 0.00 1.41 1.53 0.49 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.70 4.99 0.00 1.69 1.42 0.79 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.91 4.72 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 1.00 0.00 0.00 1.10 0.00 0.00 63 K 9.10 4.67 0.00 1.62 1.66 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.34 7.81 64 H 8.73 4.88 0.00 3.38 3.41 0.00 5.46 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.78 4.12 0.00 4.01 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 66 Q 8.17 4.44 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 67 S 7.70 4.36 0.00 3.82 3.84 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 68 R 8.81 4.01 0.00 1.82 1.98 0.00 3.25 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 69 R 7.48 4.44 0.00 1.75 1.77 0.00 3.29 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 70 P 0.00 4.63 0.00 2.24 2.32 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 71 S 7.32 4.86 0.00 3.79 3.71 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 72 S 8.86 4.63 0.00 4.00 3.84 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 73 W 8.88 4.37 0.00 3.54 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 74 R 6.73 3.43 0.00 1.35 1.49 0.00 2.90 0.00 0.00 2.95 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 75 Q 7.68 4.37 0.00 1.94 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 76 E 9.02 3.79 0.00 1.96 1.95 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 2.29 2.30 0.00 77 K 7.77 4.38 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.40 7.81 78 I 8.60 4.19 1.86 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 1.46 0.62 0.88 0.00 0.00 79 T 8.27 4.54 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 1.25 0.00 0.00 80 R 7.75 4.16 0.00 2.08 2.08 0.00 3.11 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 81 T 8.82 4.41 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 1.21 0.00 0.00 82 K 8.57 3.63 0.00 1.56 1.81 0.00 1.75 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.44 7.81 83 E 8.13 3.98 0.00 2.07 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 2.36 2.40 0.00 84 E 8.26 3.94 0.00 2.21 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 85 A 8.29 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 3.84 0.00 1.87 1.86 0.99 0.81 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 87 E 8.22 3.84 0.00 2.13 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 0.00 2.31 2.23 0.00 88 L 7.75 3.47 0.00 1.72 1.25 0.84 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.74 3.76 1.95 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 1.61 0.83 0.91 0.00 0.00 90 N 8.42 4.54 0.00 2.81 2.84 0.00 0.00 6.97 8.39 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 91 G 7.96 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 0.00 0.00 0.00 92 Y 7.76 4.42 0.00 3.22 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 93 I 8.28 3.81 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.91 0.98 0.00 0.00 94 Q 8.21 4.06 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 95 K 8.25 4.08 0.00 2.06 1.95 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.54 7.81 96 I 8.10 4.37 2.12 0.00 0.00 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 1.67 1.91 1.06 0.00 0.00 97 K 8.38 4.13 0.00 1.76 1.94 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.66 7.81 98 S 8.25 4.36 0.00 4.07 4.12 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 99 G 7.89 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 0.00 100 E 8.10 4.12 0.00 2.02 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 0.00 2.37 2.33 0.00 101 E 8.29 4.80 0.00 2.08 1.81 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 2.28 2.46 0.00 102 D 8.28 5.10 0.00 2.98 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 0.00 103 F 8.77 3.99 0.00 3.25 3.17 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 0.00 104 E 8.43 4.00 0.00 2.15 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 2.49 2.63 0.00 105 S 8.17 3.99 0.00 3.90 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 0.00 106 L 7.73 3.91 0.00 1.48 1.32 1.00 0.96 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 0.00 107 A 7.82 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.96 4.19 0.00 3.87 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 0.00 109 Q 7.45 3.80 0.00 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 110 F 7.77 4.96 0.00 2.68 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 0.00 111 S 8.11 4.42 0.00 3.80 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 0.00 112 D 9.08 4.48 0.00 2.71 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 0.00 113 C 7.79 4.66 0.00 3.00 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 0.00 114 S 8.71 4.21 0.00 4.06 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 0.00 115 S 8.16 4.25 0.00 4.13 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 0.00 116 A 8.19 3.96 1.52 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 0.00 0.00 117 K 7.42 3.90 0.00 1.68 1.55 0.00 1.47 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.32 7.81 118 A 7.98 4.66 1.29 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 0.00 119 R 8.06 3.52 0.00 2.04 2.07 0.00 3.20 0.00 0.00 3.07 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.49 0.00 120 G 8.24 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 0.00 0.00 0.00 121 D 7.87 5.03 0.00 2.72 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 0.00 122 L 8.87 4.39 0.00 1.97 1.70 0.74 0.90 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 0.00 123 G 8.57 3.85 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 0.00 0.00 0.00 124 A 8.34 4.75 1.19 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 0.00 0.00 0.00 0.00 0.00 125 F 8.47 5.22 0.00 3.31 3.17 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 0.00 126 S 9.28 5.45 0.00 3.98 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 0.00 127 R 8.27 4.11 0.00 1.60 1.82 0.00 2.86 0.00 0.00 3.10 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 128 G 9.55 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 0.00 0.00 0.00 0.00 129 Q 8.00 4.41 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 130 M 7.67 4.31 0.00 1.86 2.08 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.96 0.00 131 Q 8.17 4.15 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 132 K 8.60 4.00 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.63 7.81 133 P 0.00 4.34 0.00 2.39 2.17 0.00 3.74 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 2.20 2.20 0.00 134 F 8.22 3.82 0.00 3.10 3.16 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 0.00 135 E 8.74 4.33 0.00 2.28 2.23 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 2.48 2.73 0.00 136 D 8.64 4.40 0.00 2.71 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 0.00 137 A 7.88 3.89 1.23 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 0.00 0.00 138 S 7.86 3.92 0.00 4.20 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 0.00 139 F 8.49 4.15 0.00 3.11 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 0.00 140 A 7.45 4.37 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 0.00 141 L 6.94 4.29 0.00 1.69 1.55 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 142 R 9.05 4.25 0.00 2.00 1.84 0.00 3.14 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 143 T 8.26 3.87 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 1.20 0.00 0.00 144 G 9.19 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.16 4.35 0.00 2.08 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 2.32 2.32 0.00 146 M 8.40 5.10 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 147 S 9.19 4.33 0.00 3.99 3.78 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 0.00 148 G 8.10 4.22 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 0.00 149 P 0.00 4.55 0.00 2.01 1.89 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 150 V 8.76 4.55 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 1.04 0.00 0.00 0.93 0.00 0.00 151 F 9.27 5.36 0.00 2.95 3.09 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 0.00 152 T 8.96 4.83 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 1.36 0.00 0.00 153 D 8.64 4.58 0.00 2.77 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 0.00 154 S 8.30 4.27 0.00 3.97 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 0.00 155 G 6.50 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 0.00 0.00 0.00 156 I 8.18 4.72 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.66 0.36 0.00 0.00 157 H 9.30 5.54 0.00 3.10 3.39 0.00 5.57 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 0.00 158 I 8.87 4.79 2.16 0.00 0.00 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 1.36 0.83 1.15 0.00 0.00 159 I 8.92 4.94 1.69 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.78 0.69 0.00 0.00 160 L 8.73 4.73 0.00 0.70 0.61 0.81 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 161 R 8.74 4.69 0.00 1.79 1.84 0.00 3.07 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 162 T 9.02 4.61 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 0.00 163 E 7.66 4.15 0.00 1.90 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 2.25 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.