NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4343 8.3044 118.1957 54.3907 32.6056 174.5379 1 K 3.8554 8.3266 120.5906 54.9506 32.7321 172.9817 2 E 3.9777 8.5897 126.9894 56.2849 31.0003 176.9749 3 S 4.4307 8.5170 121.1304 58.2015 65.3673 175.4033 4 R 3.9396 8.5464 121.4142 59.0996 29.8938 179.2212 5 A 4.1858 7.9518 120.2921 55.3073 18.4602 179.6630 6 K 4.0011 8.1559 116.9062 59.4564 32.0432 179.4834 7 K 4.0444 8.3790 120.1236 59.5018 31.9992 178.5702 8 F 4.1445 8.5182 120.9381 61.3494 39.3414 177.1729 9 Q 4.0240 8.1925 117.2241 58.9244 28.3348 178.6864 10 R 3.8577 8.0459 118.6942 59.7278 30.2640 178.2899 11 Q 3.9619 8.0902 116.5414 57.9829 29.1023 176.3083 12 H 4.7625 7.9929 113.9704 53.9510 31.4512 173.1983 13 M 4.7849 7.8259 118.6349 53.6336 33.7967 176.5705 14 D 4.7151 9.2216 123.3838 53.2175 41.8874 175.7001 15 S 4.2610 8.5469 118.7933 61.2284 63.4641 176.0184 16 D 4.4224 8.0682 117.6304 55.4731 39.4944 176.2956 17 S 4.5907 7.3015 113.7865 57.5401 64.0684 173.9256 18 S 4.3673 7.7158 114.2995 56.9619 63.1493 173.8012 19 P 4.3427 0.0000 0.0000 65.3979 32.3107 177.9007 20 S 3.6435 7.0482 112.2385 58.6487 62.7798 172.8235 21 S 4.5730 8.6061 120.8674 58.0694 62.1876 174.1854 22 S 4.9731 7.2395 124.5297 58.5451 61.5248 173.7342 23 S 4.7341 8.6564 121.4219 60.6177 68.6657 176.7538 24 T 3.8285 7.9566 114.6793 64.9960 66.7508 173.8043 25 Y 3.8785 7.7140 121.1636 61.1894 38.3169 178.4691 26 C 4.0483 8.7550 116.0427 60.2491 40.1123 175.9301 27 N 4.4160 7.9565 117.5078 56.5830 38.2092 177.1469 28 Q 3.8630 8.2021 120.7213 59.5803 29.1896 178.1901 29 M 3.7601 7.6702 119.8706 58.4178 31.7221 178.7357 30 M 4.0282 8.1515 119.2918 58.1967 32.0583 178.8598 31 R 4.2297 7.4878 118.9584 59.2223 30.1654 178.8631 32 R 3.9916 8.1791 116.7186 58.7514 29.9862 178.1498 33 R 4.4176 7.8267 115.9763 55.2132 30.6960 175.9285 34 N 4.2142 7.9271 114.2584 55.1513 36.6292 174.7944 35 M 4.5841 8.4565 115.2065 55.3598 32.7956 177.1608 36 T 5.6208 7.4885 108.6753 60.5060 69.4113 173.7657 37 Q 4.3014 8.3540 122.7267 58.5979 28.1497 174.5758 38 G 3.8378 10.6766 112.4787 45.3551 0.0000 171.7812 39 R 3.9182 6.9234 113.0343 55.3794 31.7233 174.2676 40 C 4.8538 8.5943 116.3319 55.2276 40.1726 173.9841 41 K 4.1406 8.7723 127.6243 55.9801 32.4281 174.7335 42 P 4.6114 0.0000 0.0000 65.3782 32.1754 176.6999 43 V 5.0939 7.4262 109.5155 59.9474 35.7326 174.4798 44 N 4.4691 8.6447 118.9360 53.1216 42.9773 173.1578 45 T 4.8658 7.7727 120.7027 61.6492 72.0895 172.7504 46 F 4.9298 8.9320 124.4996 55.6516 42.1717 174.6326 47 V 4.4595 8.8764 122.4154 60.8811 33.6971 175.4859 48 H 5.6456 8.3271 125.8858 53.9533 26.7373 173.7370 49 E 4.8065 7.7110 116.6148 53.5543 34.4748 174.4430 50 P 4.3821 0.0000 0.0000 62.6217 32.2853 177.3386 51 L 4.0327 8.1546 124.2057 58.4118 42.0324 179.3307 52 L 4.1315 7.9441 119.6403 58.3397 41.8188 178.8676 53 L 4.1003 7.7176 117.5792 57.4252 41.8240 179.2514 54 V 3.8300 7.6895 118.0716 65.9426 31.4361 177.8757 55 Q 3.9572 8.7823 118.1774 58.8240 28.4131 178.6071 56 L 3.9646 7.8039 120.7656 57.6506 42.0558 179.0740 57 V 3.7792 7.6524 118.6106 66.0681 31.2208 176.9381 58 C 3.7054 7.5941 114.9094 58.5450 40.0220 174.7903 59 L 4.2872 7.6786 119.4219 55.8577 42.1562 177.1948 60 Q 4.5598 8.3382 121.1619 55.4147 28.6619 175.9135 61 E 4.1638 8.3496 126.7178 56.9284 30.5330 176.7811 62 K 4.2102 8.7429 129.5192 56.5104 32.5728 176.2799 63 V 4.5596 8.6657 119.6183 59.5778 36.5200 175.0632 64 T 4.0627 8.3162 119.3880 63.4825 68.7379 175.7471 65 C 4.7427 8.7702 123.9700 56.3501 41.0971 174.9247 66 K 3.9361 8.8987 120.3357 59.2510 31.6270 178.7919 67 N 4.4415 7.9660 115.1488 53.5950 37.7895 175.5550 68 G 4.0408 7.6930 105.0074 45.6935 0.0000 174.4909 69 Q 4.0821 8.4573 119.3435 56.4219 29.1940 177.7700 70 G 3.7140 8.4229 108.7328 46.9989 0.0000 173.9122 71 N 4.7801 7.9244 118.4587 53.7885 37.5692 175.3468 72 C 5.3681 7.4351 115.7140 56.6409 41.1799 173.2340 73 Y 5.1385 8.7292 118.4556 56.2017 41.8180 174.0133 74 K 5.0309 9.1177 125.6572 54.3644 34.2581 175.6725 75 S 4.5631 8.8160 123.1758 58.7638 62.9091 174.2722 76 N 4.4649 9.7589 121.8494 56.3574 38.5798 175.6735 77 S 4.7424 7.6668 111.7203 57.0548 65.0084 174.0444 78 S 4.2500 8.3815 117.4888 58.3069 62.8620 173.1143 79 M 4.7591 9.0423 127.5001 53.8300 34.5455 175.3358 80 H 4.8743 9.6619 120.7518 56.2143 29.8049 174.6365 81 I 5.0698 9.2424 116.9542 59.3727 41.6828 174.2541 82 T 4.8336 8.9675 119.9457 61.9687 71.2868 172.7280 83 D 5.0480 8.6794 126.4967 53.5473 42.7589 174.7213 84 C 5.5085 9.7249 123.0802 55.3158 39.6701 172.9834 85 R 5.2522 8.6530 119.9995 53.8236 32.1036 174.0632 86 L 3.4989 9.0685 126.4821 55.6042 42.1575 176.9178 87 T 3.9003 9.0334 124.0703 64.0235 69.2010 175.0265 88 N 4.3823 9.2107 121.8895 56.7790 38.6849 176.9153 89 G 3.7963 7.3731 104.2375 46.2459 0.0000 173.6028 90 S 4.3713 7.4812 117.0501 57.6581 63.0929 173.8367 91 R 4.5223 8.2870 124.7645 54.0038 31.9059 174.5748 92 Y 4.1424 8.7017 123.3464 57.8166 38.9633 174.0224 93 P 3.4965 0.0000 0.0000 62.3462 31.3437 176.5679 94 N 4.4298 8.3331 120.6103 53.4515 36.7641 171.5998 95 C 4.3814 8.1272 117.9963 54.8540 38.3355 171.9662 96 A 4.8982 8.0197 126.5829 50.3978 20.4005 175.0767 97 Y 5.0683 10.5890 120.6934 55.9370 40.9803 176.0370 98 R 4.1526 8.8135 124.5956 56.8296 31.4321 175.0694 99 T 4.9413 8.5711 122.8783 62.1221 70.7547 175.2895 100 S 4.7413 8.5944 120.3546 56.1326 64.3976 170.6840 101 P 4.7701 0.0000 0.0000 63.7536 32.1585 176.0165 102 K 4.7295 9.6450 121.0418 55.0094 37.3707 174.5105 103 E 5.1177 8.7085 122.7138 54.7470 31.4187 175.1921 104 R 4.8186 8.7878 124.7374 54.7451 35.3945 174.4943 105 H 4.8518 8.9470 118.4420 56.0391 30.1547 174.3885 106 I 4.8544 8.7286 114.9122 59.1831 40.8235 174.2374 107 I 4.8299 8.6560 125.3035 59.7060 39.6347 175.0545 108 V 4.7992 8.4317 119.6079 59.3028 35.6707 174.6185 109 A 4.8845 8.8067 125.7794 51.4590 20.2112 175.7785 110 C 5.1713 8.5782 118.9411 55.3330 42.9631 173.4527 111 E 4.6610 8.7807 119.9575 56.3578 34.1792 173.8642 112 G 3.8504 8.8919 107.0251 44.9237 0.0000 173.6693 113 S 4.3404 8.2960 115.2710 56.4864 62.9610 172.9061 114 P 4.3223 0.0000 0.0000 62.9555 31.5418 175.9292 115 Y 4.7889 8.3264 121.1384 56.8201 38.7315 174.5102 116 V 4.4756 8.1896 119.3435 58.2407 36.6733 173.4373 117 P 4.4201 0.0000 0.0000 63.0395 31.1013 177.0611 118 V 4.5117 8.6679 114.9256 60.9968 34.0793 175.2254 119 H 5.0320 7.7862 120.1301 54.7726 33.5134 171.8448 120 F 4.5868 8.9027 128.3634 57.6880 39.0011 174.2852 121 D 4.5173 8.4007 127.3442 56.4361 41.8954 176.1899 122 A 4.5418 6.6794 116.4367 51.1484 22.4314 175.0005 123 S 5.0993 8.7494 114.3307 56.5581 65.3596 174.5795 124 V 3.9408 8.5250 116.0116 61.6600 31.0189 176.0601 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 M 8.30 4.43 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 K 8.33 3.86 0.00 1.83 1.76 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.50 7.81 2 E 8.59 3.98 0.00 1.98 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 2.32 2.33 0.00 3 S 8.52 4.43 0.00 4.11 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 4 R 8.55 3.94 0.00 1.89 2.06 0.00 3.15 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 5 A 7.95 4.19 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 6 K 8.16 4.00 0.00 1.91 1.90 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 7 K 8.38 4.04 0.00 1.99 1.94 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.46 7.81 8 F 8.52 4.14 0.00 3.25 3.23 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 9 Q 8.19 4.02 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.73 0.00 10 R 8.05 3.86 0.00 1.79 2.08 0.00 3.38 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 11 Q 8.09 3.96 0.00 1.68 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 12 H 7.99 4.76 0.00 1.91 2.60 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.83 4.78 0.00 1.97 2.20 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 14 D 9.22 4.72 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.55 4.26 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 16 D 8.07 4.42 0.00 2.79 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 17 S 7.30 4.59 0.00 3.84 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 18 S 7.72 4.37 0.00 3.79 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 19 P 0.00 4.34 0.00 2.05 2.12 0.00 3.24 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 20 S 7.05 3.64 0.00 3.53 3.35 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 0.00 21 S 8.61 4.57 0.00 3.87 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 0.00 22 S 7.24 4.97 0.00 4.05 3.33 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 23 S 8.66 4.73 0.00 3.83 3.79 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 24 T 7.96 3.83 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 25 Y 7.71 3.88 0.00 3.09 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 26 C 8.76 4.05 0.00 3.18 3.06 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 27 N 7.96 4.42 0.00 2.72 2.93 0.00 0.00 6.73 8.98 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 28 Q 8.20 3.86 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 29 M 7.67 3.76 0.00 0.91 1.13 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.14 0.00 30 M 8.15 4.03 0.00 1.72 1.87 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 2.41 0.00 31 R 7.49 4.23 0.00 1.94 2.05 0.00 3.13 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 32 R 8.18 3.99 0.00 1.66 1.92 0.00 3.15 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 33 R 7.83 4.42 0.00 1.93 2.13 0.00 3.61 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 34 N 7.93 4.21 0.00 2.86 2.90 0.00 0.00 6.77 7.22 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 35 M 8.46 4.58 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.39 0.00 36 T 7.49 5.62 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 1.43 0.00 0.00 37 Q 8.35 4.30 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 38 G 10.68 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 0.00 0.00 0.00 39 R 6.92 3.92 0.00 1.86 1.79 0.00 2.89 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 40 C 8.59 4.85 0.00 3.03 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 41 K 8.77 4.14 0.00 1.78 1.86 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.43 7.81 42 P 0.00 4.61 0.00 2.16 2.11 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 43 V 7.43 5.09 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 0.74 0.00 0.00 0.96 0.00 0.00 44 N 8.64 4.47 0.00 2.60 2.27 0.00 0.00 7.03 6.77 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 45 T 7.77 4.87 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 0.75 0.00 0.00 46 F 8.93 4.93 0.00 2.94 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 47 V 8.88 4.46 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 0.99 0.00 0.00 48 H 8.33 5.65 0.00 3.07 3.36 0.00 5.61 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 49 E 7.71 4.81 0.00 1.95 1.84 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 2.27 2.31 0.00 50 P 0.00 4.38 0.00 2.20 2.00 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 51 L 8.15 4.03 0.00 1.95 1.72 1.05 0.57 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 52 L 7.94 4.13 0.00 1.81 1.67 0.93 0.68 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 53 L 7.72 4.10 0.00 1.84 1.74 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.69 3.83 2.32 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 1.29 0.00 0.00 1.05 0.00 0.00 55 Q 8.78 3.96 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 56 L 7.80 3.96 0.00 1.91 1.81 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.65 3.78 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 0.93 0.00 0.00 1.05 0.00 0.00 58 C 7.59 3.71 0.00 2.88 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 59 L 7.68 4.29 0.00 1.65 1.66 0.90 0.90 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 60 Q 8.34 4.56 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 61 E 8.35 4.16 0.00 2.06 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 2.30 2.27 0.00 62 K 8.74 4.21 0.00 1.90 1.66 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.19 0.80 7.81 63 V 8.67 4.56 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 0.75 0.00 0.00 0.82 0.00 0.00 64 T 8.32 4.06 4.19 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 1.23 0.00 0.00 65 C 8.77 4.74 0.00 3.04 3.27 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 0.00 66 K 8.90 3.94 0.00 1.76 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 67 N 7.97 4.44 0.00 2.81 2.92 0.00 0.00 6.22 7.00 0.00 0.00 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 G 7.69 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 0.00 0.00 0.00 69 Q 8.46 4.08 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 70 G 8.42 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 71 N 7.92 4.78 0.00 3.11 3.17 0.00 0.00 6.13 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 72 C 7.44 5.37 0.00 2.78 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 73 Y 8.73 5.14 0.00 2.90 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 74 K 9.12 5.03 0.00 1.76 1.66 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.34 7.81 75 S 8.82 4.56 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 76 N 9.76 4.46 0.00 2.81 2.97 0.00 0.00 6.97 7.58 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 77 S 7.67 4.74 0.00 3.75 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 78 S 8.38 4.25 0.00 3.74 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 79 M 9.04 4.76 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 80 H 9.66 4.87 0.00 3.06 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 9.24 5.07 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.98 1.06 0.00 0.00 82 T 8.97 4.83 4.39 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 1.30 0.00 0.00 83 D 8.68 5.05 0.00 2.62 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 84 C 9.72 5.51 0.00 2.78 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 85 R 8.65 5.25 0.00 1.87 2.07 0.00 2.85 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 86 L 9.07 3.50 0.00 1.71 1.61 0.25 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 87 T 9.03 3.90 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 1.22 0.00 0.00 88 N 9.21 4.38 0.00 2.73 2.89 0.00 0.00 6.92 7.80 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 89 G 7.37 3.80 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 0.00 0.00 0.00 90 S 7.48 4.37 0.00 3.79 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 91 R 8.29 4.52 0.00 1.82 1.83 0.00 3.17 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 92 Y 8.70 4.14 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 93 P 0.00 3.50 0.00 1.82 1.29 0.00 3.64 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 94 N 8.33 4.43 0.00 2.71 2.85 0.00 0.00 7.13 7.54 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 95 C 8.13 4.38 0.00 3.14 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 96 A 8.02 4.90 1.17 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 97 Y 10.59 5.07 0.00 2.86 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 98 R 8.81 4.15 0.00 1.97 1.88 0.00 3.08 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 99 T 8.57 4.94 4.32 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 1.33 0.00 0.00 100 S 8.59 4.74 0.00 3.89 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 0.00 101 P 0.00 4.77 0.00 2.07 2.11 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 102 K 9.65 4.73 0.00 1.66 1.70 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.60 7.81 103 E 8.71 5.12 0.00 1.92 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 2.06 2.12 0.00 104 R 8.79 4.82 0.00 1.87 1.80 0.00 3.27 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 105 H 8.95 4.85 0.00 3.09 3.24 0.00 5.56 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.73 4.85 1.86 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 1.20 0.00 0.00 107 I 8.66 4.83 1.68 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 1.16 0.73 0.80 0.00 0.00 108 V 8.43 4.80 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 0.75 0.00 0.00 0.86 0.00 0.00 109 A 8.81 4.88 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 0.00 110 C 8.58 5.17 0.00 2.00 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 0.00 0.00 0.00 111 E 8.78 4.66 0.00 1.79 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 2.26 2.23 0.00 112 G 8.89 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 0.00 113 S 8.30 4.34 0.00 3.82 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 0.00 114 P 0.00 4.32 0.00 2.23 2.06 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 115 Y 8.33 4.79 0.00 2.85 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 0.00 116 V 8.19 4.48 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 0.63 0.00 0.00 0.92 0.00 0.00 117 P 0.00 4.42 0.00 0.60 1.11 0.00 3.36 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 118 V 8.67 4.51 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 0.64 0.00 0.00 0.96 0.00 0.00 119 H 7.79 5.03 0.00 3.26 3.09 0.00 5.85 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 0.00 120 F 8.90 4.59 0.00 2.68 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 0.00 121 D 8.40 4.52 0.00 2.61 2.58 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 0.00 122 A 6.68 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.75 5.10 0.00 3.99 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 0.00 124 V 8.52 3.94 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 0.61 0.00 0.00 1.01 0.00 0.00