NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 A 4.3522 8.2493 123.5834 52.1573 19.9429 176.3158 18 R 4.0967 8.3800 114.9970 56.6059 30.2791 174.2120 19 S 4.6254 7.4623 110.1868 57.7610 66.4988 174.1360 20 L 5.0064 8.7552 122.5180 54.8290 42.3660 176.9891 21 S 4.7316 8.4399 118.4563 57.3798 66.8385 172.9984 22 I 5.0811 8.1572 122.4920 59.6495 38.6797 175.7213 23 T 3.8319 8.4731 118.0192 63.1480 69.3313 174.3876 24 T 3.4011 8.6228 120.2052 64.2195 65.3208 169.8909 25 P 4.6180 0.0000 0.0000 63.5969 33.0345 176.1611 26 E 5.1458 7.7830 119.2390 53.7925 33.2722 174.4493 27 E 4.7130 8.5390 122.1531 55.5927 33.4199 173.7525 28 M 5.1118 8.7260 125.0711 53.7559 34.1147 174.2971 29 I 4.4347 8.2301 124.6956 59.6981 39.6543 174.5430 30 E 5.0901 8.6729 126.1400 54.5190 32.1170 174.6785 31 K 4.8180 9.1437 124.7173 54.9329 37.7324 174.8384 32 A 5.1731 8.6507 122.8743 49.9217 21.1733 177.2307 33 K 4.0955 8.3743 120.0986 58.6539 33.1196 176.2650 34 G 4.1986 9.0568 109.5162 44.9934 0.0000 173.5987 35 E 4.3656 7.9074 118.3834 56.3786 31.0740 175.9248 36 T 5.0275 8.3048 110.7965 60.0618 71.0020 173.5521 37 A 4.4795 8.6527 127.6464 50.7722 20.7758 175.3887 38 Y 4.4260 8.6375 124.8384 56.9738 39.7309 175.0997 39 L 4.4297 8.1588 129.2820 52.3167 42.6646 173.9960 40 P 4.3342 0.0000 0.0000 62.5825 32.5823 177.4748 41 C 5.0145 9.5233 123.1378 54.7014 39.6188 170.9851 42 K 5.3170 8.2969 121.6446 54.2401 34.0779 175.1601 43 F 5.5662 8.5758 118.8752 55.3578 42.1406 173.3487 44 T 4.6915 8.8578 109.9896 60.2025 71.3561 173.9890 45 L 5.1605 8.4071 124.5346 53.8500 43.9581 175.1678 46 S 4.8168 8.3788 111.5289 56.5511 66.0437 173.9043 47 P 4.3686 0.0000 0.0000 65.4275 31.2683 177.6189 48 E 4.0874 8.0856 116.2133 58.9100 30.1857 177.4821 49 D 4.8329 7.8452 121.2978 53.8813 38.7252 176.1342 50 Q 4.2367 7.8344 116.5094 56.1072 29.7541 176.6431 51 G 3.8848 8.0075 108.4818 44.1092 0.0000 171.3260 52 P 4.4643 0.0000 0.0000 61.7532 32.1300 175.7918 53 L 4.2227 8.4706 124.4282 55.4724 42.9185 176.0313 54 D 4.8687 9.5197 126.2007 52.7340 43.0959 173.5016 55 I 5.0167 8.8138 125.5188 59.4882 40.4755 174.2578 56 E 5.2015 9.0392 124.9703 54.8878 33.6243 173.6343 57 W 5.2543 9.4118 126.2830 54.9670 32.2391 174.7342 58 L 5.3280 9.1466 123.4911 52.8912 45.5645 175.1385 59 I 4.3442 8.4760 120.4509 59.3384 41.5750 174.5100 60 S 4.7154 8.6201 125.1783 55.5141 64.0939 171.7872 61 P 4.7666 0.0000 0.0000 62.6229 31.5644 176.5559 62 A 4.2290 8.6494 124.2393 54.3382 18.9742 178.2720 63 D 4.7412 8.0088 113.4844 52.9819 39.6462 175.0478 64 N 4.5789 7.4181 115.8717 53.1871 39.3382 173.9106 65 Q 4.3020 8.5524 115.5262 56.2855 29.2346 176.8761 66 K 4.1643 7.8202 118.0279 56.3616 32.7293 176.3665 67 V 4.2562 7.6547 120.9169 62.2345 34.8359 174.9533 68 D 4.2669 8.6239 125.6048 55.4107 38.2963 173.9578 69 Q 4.5505 8.2814 118.9987 54.1327 30.9615 177.6071 70 V 4.0928 8.6187 124.6526 63.8456 32.0212 174.8822 71 I 4.5737 9.1569 120.4877 62.2425 39.9567 175.2064 72 I 5.3074 7.6510 121.2620 59.3202 41.7206 173.1901 73 L 5.4527 9.0952 126.1107 54.9239 44.8022 174.1017 74 Y 5.8258 9.5954 120.2705 55.1032 41.9242 174.0131 75 S 4.6846 8.2866 120.8831 57.0561 66.9264 174.2653 76 G 4.2268 9.3545 110.1288 47.0933 0.0000 172.8047 77 D 4.5465 7.6787 112.1223 53.7853 38.8728 174.0627 78 K 4.4887 7.0746 116.2063 54.4731 35.4223 175.1344 79 I 5.0104 7.8584 121.5625 60.2660 39.2505 174.8839 80 Y 4.9356 9.2694 123.5129 56.4766 41.1707 174.3757 81 D 5.2938 8.7964 123.1631 51.2765 43.1221 174.6733 82 D 4.4884 8.6170 114.5610 55.9552 37.6111 174.9011 83 Y 3.9964 7.9458 115.8637 59.3510 38.6760 175.5528 84 Y 4.5481 7.8457 120.9129 54.8783 39.2907 173.6794 85 P 4.1700 0.0000 0.0000 65.7483 31.5145 178.9029 86 D 4.3881 7.4709 115.2080 56.5111 41.0068 177.0445 87 L 4.5963 8.2420 117.9462 53.7886 42.2894 176.0178 88 K 4.1079 7.6760 121.2536 58.2998 32.1742 176.9619 89 G 3.9986 9.8647 114.5489 45.7524 0.0000 173.5692 90 R 4.6756 8.0284 116.8173 54.5576 32.2672 174.9216 91 V 4.7575 7.7518 119.8275 61.1714 33.4957 174.3368 92 H 4.9023 8.3244 121.7393 53.8445 32.1810 172.9864 93 F 4.8841 8.7778 119.3328 58.2504 39.0094 175.3635 94 T 4.4450 8.9252 111.6022 61.9342 69.9941 174.6851 95 S 4.6873 7.9951 117.2589 56.5464 63.4215 173.6657 96 N 4.5094 8.7717 124.7455 55.0709 38.0776 174.5736 97 D 4.7651 7.7976 117.7729 51.8583 41.3967 175.0200 98 L 3.9673 7.9412 125.3557 57.8336 42.0886 180.2109 99 K 4.2072 7.7884 114.0256 58.5848 32.4860 177.6179 100 S 4.2366 7.8052 115.4003 59.6158 63.2997 173.2090 101 G 2.0000 6.9573 110.2143 45.6571 0.0000 173.0888 102 D 5.0449 7.3814 119.2282 51.9594 40.9944 174.3726 103 A 4.6201 9.2922 119.8921 52.2522 19.2643 178.1741 104 S 4.7188 8.6391 114.0814 59.3668 64.0984 173.6287 105 I 4.9424 8.0888 115.7423 59.1549 41.4803 173.5894 106 N 5.1185 8.7841 120.5660 51.5260 41.3217 174.2809 107 V 4.3568 8.3095 123.6748 61.3219 33.2261 175.0511 108 T 4.3311 8.7491 119.2012 60.4137 70.7182 173.8211 109 N 4.3967 8.3696 117.9007 52.9230 37.3951 173.9141 110 L 4.2120 7.9465 119.4288 55.6215 42.7220 177.6052 111 Q 4.9955 8.7484 120.7845 53.6978 31.6562 176.9010 112 L 4.0533 8.4047 118.8920 58.0375 41.7184 180.0824 113 S 4.3050 7.9918 111.6234 60.7873 63.0734 174.7234 114 D 4.6757 7.5969 119.5185 55.5243 41.0482 176.7374 115 I 4.0469 7.9957 122.4296 60.0620 37.8229 176.4557 116 G 4.1035 7.2408 111.5113 45.9554 0.0000 170.1286 117 T 5.1221 7.7128 116.1157 62.0666 70.7279 173.5918 118 Y 5.0234 9.3010 124.8373 56.3096 40.4174 174.5123 119 Q 4.9431 9.1396 125.7275 54.4525 32.3495 173.5541 120 C 4.0679 8.5593 125.9625 54.2966 45.3139 171.7783 121 K 4.6944 8.5275 126.0366 55.0917 33.4987 175.9766 122 V 4.3241 8.5321 125.3080 60.8771 34.1902 174.1809 123 K 4.9053 8.6449 127.3617 54.6179 35.3705 175.7572 124 K 4.7492 8.8207 125.4203 54.3915 34.3180 174.1191 125 A 4.2924 8.6445 127.9870 51.7146 19.1993 175.6850 126 P 4.6208 0.0000 0.0000 62.6326 32.0480 176.5506 127 G 3.7100 8.2574 110.2420 45.9241 0.0000 173.1628 128 V 4.8640 8.0252 122.4721 61.3991 34.6909 173.5042 129 A 4.7981 8.7570 127.9786 51.3012 23.0904 174.2732 130 N 5.8001 8.1844 114.8959 52.2231 40.4741 173.6770 131 K 4.7364 8.2243 119.7455 54.6743 35.8489 174.6480 132 K 5.0071 8.6842 125.7969 54.8516 34.9085 175.3463 133 I 4.8243 8.7893 124.4492 59.9665 40.7688 174.3180 134 H 5.0378 9.2674 125.4171 54.6434 29.4580 173.8746 135 L 4.7916 8.8679 127.2221 53.7606 43.5596 175.2004 136 V 4.4839 8.7035 126.7823 61.0764 34.0035 174.3177 137 V 4.7710 8.4263 127.3417 61.3539 33.3872 174.9893 138 L 4.5271 8.8568 128.8083 53.6634 44.2738 177.5585 139 V 3.9290 8.0872 118.4493 63.1833 31.6069 175.1450 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 17 A 8.25 4.35 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 18 R 8.38 4.10 0.00 2.01 2.07 0.00 3.07 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 19 S 7.46 4.63 0.00 3.85 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 20 L 8.76 5.01 0.00 1.86 1.60 0.83 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.44 4.73 0.00 3.95 3.90 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 0.00 0.00 0.00 22 I 8.16 5.08 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.61 1.02 0.00 0.00 23 T 8.47 3.83 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 1.23 0.00 0.00 24 T 8.62 3.40 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 1.34 0.00 0.00 25 P 0.00 4.62 0.00 2.10 2.27 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 26 E 7.78 5.15 0.00 1.83 1.88 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 2.21 2.08 0.00 27 E 8.54 4.71 0.00 2.05 1.77 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 2.32 2.36 0.00 28 M 8.73 5.11 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 29 I 8.23 4.43 1.85 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 1.13 0.65 0.90 0.00 0.00 30 E 8.67 5.09 0.00 1.93 1.79 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 2.18 2.31 0.00 31 K 9.14 4.82 0.00 1.63 1.77 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.50 7.81 32 A 8.65 5.17 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 33 K 8.37 4.10 0.00 2.02 1.85 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.41 7.81 34 G 9.06 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 0.00 0.00 0.00 35 E 7.91 4.37 0.00 2.07 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 2.32 2.34 0.00 36 T 8.30 5.03 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 1.20 0.00 0.00 37 A 8.65 4.48 1.13 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 38 Y 8.64 4.43 0.00 2.90 2.90 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 0.00 0.00 0.00 39 L 8.16 4.43 0.00 0.98 1.41 0.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.33 0.00 2.13 2.09 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 41 C 9.52 5.01 0.00 3.29 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 42 K 8.30 5.32 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 43 F 8.58 5.57 0.00 3.08 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 44 T 8.86 4.69 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 1.21 0.00 0.00 45 L 8.41 5.16 0.00 1.60 1.73 1.04 0.98 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 46 S 8.38 4.82 0.00 3.97 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 47 P 0.00 4.37 0.00 2.20 2.24 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 E 8.09 4.09 0.00 2.10 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 0.00 2.28 2.33 0.00 49 D 7.85 4.83 0.00 2.83 2.83 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 50 Q 7.83 4.24 0.00 2.04 2.14 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 2.35 2.48 0.00 51 G 8.01 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 52 P 0.00 4.46 0.00 2.20 2.07 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 53 L 8.47 4.22 0.00 1.75 1.79 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 D 9.52 4.87 0.00 2.78 2.56 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 0.00 55 I 8.81 5.02 2.00 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 0.89 0.48 0.99 0.00 0.00 56 E 9.04 5.20 0.00 1.98 1.67 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 2.21 2.29 0.00 57 W 9.41 5.25 0.00 3.25 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 58 L 9.15 5.33 0.00 1.50 1.46 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.48 4.34 1.18 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.32 0.03 0.00 0.00 60 S 8.62 4.72 0.00 3.66 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 61 P 0.00 4.77 0.00 2.28 2.05 0.00 3.87 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 62 A 8.65 4.23 1.37 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 0.00 0.00 0.00 63 D 8.01 4.74 0.00 2.82 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 64 N 7.42 4.58 0.00 2.81 2.83 0.00 0.00 6.18 7.39 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 65 Q 8.55 4.30 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 66 K 7.82 4.16 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.47 7.81 67 V 7.65 4.26 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 0.82 0.00 0.00 0.98 0.00 0.00 68 D 8.62 4.27 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.28 4.55 0.00 1.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.69 0.00 70 V 8.62 4.09 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 0.70 0.00 0.00 0.87 0.00 0.00 71 I 9.16 4.57 1.94 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 1.36 0.83 0.80 0.00 0.00 72 I 7.65 5.31 1.80 0.00 0.00 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 1.51 1.78 0.70 0.00 0.00 73 L 9.10 5.45 0.00 2.07 1.79 1.20 0.55 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 74 Y 9.60 5.83 0.00 2.98 2.77 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 75 S 8.29 4.68 0.00 3.88 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 76 G 9.35 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 0.00 0.00 0.00 77 D 7.68 4.55 0.00 2.77 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 78 K 7.07 4.49 0.00 1.71 0.94 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.24 7.81 79 I 7.86 5.01 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.71 1.31 0.00 0.00 80 Y 9.27 4.94 0.00 3.08 3.18 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 81 D 8.80 5.29 0.00 2.71 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 82 D 8.62 4.49 0.00 2.83 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 83 Y 7.95 4.00 0.00 3.27 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 4.55 0.00 3.27 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 85 P 0.00 4.17 0.00 1.97 2.00 0.00 3.26 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 86 D 7.47 4.39 0.00 2.64 2.80 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 87 L 8.24 4.60 0.00 2.09 1.79 1.01 0.86 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 88 K 7.68 4.11 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 89 G 9.86 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 90 R 8.03 4.68 0.00 1.88 2.02 0.00 3.25 0.00 0.00 3.20 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 91 V 7.75 4.76 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 0.53 0.00 0.00 0.90 0.00 0.00 92 H 8.32 4.90 0.00 3.22 3.31 0.00 5.32 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 93 F 8.78 4.88 0.00 3.05 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 94 T 8.93 4.45 4.43 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 1.42 0.00 0.00 95 S 8.00 4.69 0.00 4.06 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 96 N 8.77 4.51 0.00 2.88 2.95 0.00 0.00 5.87 8.06 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 97 D 7.80 4.77 0.00 2.64 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 98 L 7.94 3.97 0.00 1.31 1.16 -0.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.79 4.21 0.00 1.91 1.97 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.48 7.81 100 S 7.81 4.24 0.00 3.89 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 0.00 101 G 6.96 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 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.38 5.04 0.00 2.51 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 0.00 103 A 9.29 4.62 1.58 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 0.00 104 S 8.64 4.72 0.00 3.99 3.44 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 0.00 0.00 0.00 0.00 105 I 8.09 4.94 1.29 0.00 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 0.25 0.00 0.00 106 N 8.78 5.12 0.00 2.40 2.53 0.00 0.00 6.78 7.43 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 0.00 107 V 8.31 4.36 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 0.97 0.00 0.00 0.49 0.00 0.00 108 T 8.75 4.33 4.24 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 1.20 0.00 0.00 109 N 8.37 4.40 0.00 2.90 2.77 0.00 0.00 7.67 6.66 0.00 0.00 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 L 7.95 4.21 0.00 1.74 1.59 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 8.75 5.00 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 112 L 8.40 4.05 0.00 1.73 1.74 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.99 4.31 0.00 4.14 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 0.00 114 D 7.60 4.68 0.00 2.92 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 0.00 115 I 8.00 4.05 1.91 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 1.34 1.03 0.99 0.00 0.00 116 G 7.24 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 0.00 0.00 0.00 117 T 7.71 5.12 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 1.14 0.00 0.00 118 Y 9.30 5.02 0.00 2.94 3.19 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 0.00 119 Q 9.14 4.94 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 120 C 8.56 4.07 0.00 1.23 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 0.00 121 K 8.53 4.69 0.00 1.60 1.59 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.26 7.81 122 V 8.53 4.32 1.66 0.00 0.00 0.00 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 0.48 0.00 0.00 123 K 8.64 4.91 0.00 1.82 1.60 0.00 1.65 0.00 0.00 1.53 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.26 7.81 124 K 8.82 4.75 0.00 1.78 1.63 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.46 7.81 125 A 8.64 4.29 1.25 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 0.00 0.00 126 P 0.00 4.62 0.00 2.18 2.15 0.00 3.98 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 1.96 1.95 0.00 127 G 8.26 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 0.00 0.00 0.00 128 V 8.03 4.86 2.03 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 0.73 0.00 0.00 0.94 0.00 0.00 129 A 8.76 4.80 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 0.00 130 N 8.18 5.80 0.00 2.54 2.62 0.00 0.00 6.08 7.13 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 0.00 131 K 8.22 4.74 0.00 1.74 1.48 0.00 1.76 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.48 7.81 132 K 8.68 5.01 0.00 1.71 1.57 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.32 1.35 7.81 133 I 8.79 4.82 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.99 0.00 0.00 134 H 9.27 5.04 0.00 3.18 3.31 0.00 5.80 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.87 4.79 0.00 1.73 1.71 0.88 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 136 V 8.70 4.48 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 0.97 0.00 0.00 0.97 0.00 0.00 137 V 8.43 4.77 2.11 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 0.92 0.00 0.00 0.97 0.00 0.00 138 L 8.86 4.53 0.00 1.67 1.59 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.09 3.93 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 0.79 0.00 0.00 0.94 0.00 0.00