NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2671 8.1849 122.4920 54.2782 43.3826 176.2575 3 K 4.0105 8.4648 125.6928 55.8803 33.1150 173.9444 4 Q 4.8602 9.0249 126.7929 55.0083 30.5649 174.4331 5 V 4.7926 8.9011 126.2384 61.1385 35.4098 173.6485 6 E 4.8576 9.0765 125.3314 54.5332 32.3040 175.0115 7 I 4.8333 7.9874 124.3040 59.3720 40.8116 174.4151 8 F 5.4458 9.2571 125.6639 55.9436 41.9962 174.5599 9 T 5.3508 8.5304 111.5699 60.7421 72.3076 172.5053 10 D 4.7594 9.0165 119.9343 53.3696 45.1566 174.2309 11 G 4.6217 8.8372 111.4653 44.6253 0.0000 171.9443 12 S 4.9317 9.2516 116.9381 56.7558 66.5013 172.2416 13 C 5.1555 8.3830 124.2104 58.1889 34.1421 173.7909 14 L 4.3095 9.1846 125.5624 55.9001 41.8985 176.9931 15 G 4.0724 7.3649 105.9227 45.9117 0.0000 172.9328 16 N 5.0311 8.2699 112.7178 52.4762 39.7105 173.3090 17 P 4.6625 0.0000 0.0000 61.2522 34.1455 175.1219 18 G 3.9585 8.2586 105.9383 45.2981 0.0000 170.6466 19 P 4.9048 0.0000 0.0000 62.5199 32.3752 176.4158 20 G 4.4629 9.2196 110.4071 45.3871 0.0000 170.8788 21 G 4.7302 9.1643 106.0819 45.4333 0.0000 171.7350 22 Y 5.5486 8.3431 117.4500 55.1172 41.9490 174.8249 23 G 4.6923 9.4625 106.7563 44.9429 0.0000 171.4908 24 A 5.5674 9.4421 124.6880 50.5263 23.4697 174.9975 25 I 5.2070 9.2811 120.7582 59.4651 41.4018 174.1690 26 L 5.1810 9.3642 129.2208 53.4051 44.4336 175.0386 27 R 5.3206 9.4840 125.6688 54.6867 33.5755 174.5195 28 Y 4.8900 9.0175 124.3361 56.7710 42.5136 175.0624 29 R 3.6064 9.3085 126.5101 57.1601 27.7749 177.5656 30 G 4.0222 8.3117 105.6719 45.8099 0.0000 174.9617 31 R 4.2513 7.8717 119.1898 55.9634 30.8633 174.8702 32 E 5.2466 8.3926 119.8677 54.5395 33.1816 174.7023 33 K 4.5778 9.2217 124.6334 54.8996 35.7886 175.2991 34 T 5.0614 8.1671 120.5638 61.8834 71.4007 173.7572 35 F 5.1671 8.8894 122.4246 56.2272 43.5942 173.8142 36 S 4.9988 8.9882 114.2166 58.6858 65.5566 174.0417 37 A 4.2665 7.1630 120.9922 50.8857 22.4883 175.1615 38 G 4.2950 8.2463 107.6557 44.5308 0.0000 171.6908 39 Y 5.3140 9.2431 121.4427 55.8843 40.4681 176.9886 40 T 3.9158 9.0367 114.2420 64.6353 70.1140 174.2044 41 R 4.6774 7.7696 122.0595 55.6016 32.7602 173.8396 42 T 3.9075 8.4598 122.2698 61.7342 71.2313 171.9211 43 T 4.8329 7.8891 108.8780 58.9894 72.3841 174.0625 44 N 4.2230 8.7494 119.9459 57.1028 39.0014 176.6158 45 N 4.2737 7.9527 117.1645 56.4873 38.5270 177.5039 46 R 3.9138 7.8250 119.1640 59.4150 30.0156 179.0661 47 M 4.0742 8.0855 118.4517 58.2066 31.4593 178.6360 48 A 4.0659 8.1188 121.1062 55.0805 18.4662 179.7628 49 L 3.8676 7.8083 117.1552 58.0635 41.5959 179.2847 50 M 3.7411 8.1279 118.0437 58.2961 32.1800 177.9693 51 A 3.6075 8.1059 120.8698 55.1512 18.6231 179.5305 52 A 3.8815 7.5754 117.8996 55.1784 18.4200 179.7823 53 I 3.5385 7.7739 118.4876 64.5645 36.9988 178.7515 54 V 3.2932 7.4194 117.4119 65.8094 31.4508 177.5814 55 A 3.5445 7.4647 120.0129 55.0086 18.3128 179.6596 56 L 3.8163 7.7645 117.4656 57.8581 41.5250 179.2393 57 E 4.1284 8.0391 116.0986 57.9208 29.4796 178.2053 58 A 4.2044 7.2177 119.9630 52.3710 19.2502 177.6325 59 L 4.0726 7.2149 117.9826 54.7657 42.1561 177.1082 60 K 4.4672 8.4025 121.1711 55.8697 32.5021 175.5371 61 E 4.5647 7.4083 115.2708 55.1232 31.8508 174.5108 62 H 4.3470 8.6533 117.4166 56.6366 28.8716 174.7168 63 C 4.9755 8.7521 121.1974 57.7423 32.6183 172.5366 64 E 4.6978 8.9688 121.8795 55.1055 30.5637 174.6150 65 V 4.5684 8.9420 128.2270 61.2153 34.1642 174.5400 66 I 4.3998 8.3851 129.4536 59.8922 38.2243 174.2580 67 L 4.4983 8.3112 131.2466 53.4295 43.3553 174.8864 68 S 5.6647 8.6038 122.1761 56.3100 64.2046 172.6726 69 T 5.0617 8.4486 120.0544 61.1228 70.6429 173.2800 70 D 4.8609 8.9393 125.9266 53.3527 40.4574 176.7143 71 S 4.3727 8.1478 116.3099 58.4091 63.1732 174.3320 72 Q 3.9650 8.8122 130.5269 59.0435 28.9684 177.2968 73 Y 4.1884 8.0511 120.5167 60.7189 38.9486 177.7376 74 V 3.8202 8.0186 119.2777 65.8801 31.6109 177.9051 75 R 2.5100 7.5007 117.9458 58.9423 29.6969 178.5245 76 Q 3.2334 7.4482 117.8032 58.3097 28.4975 179.0811 77 G 2.6932 7.2738 106.4428 47.4610 0.0000 175.7931 78 I 3.5237 7.3072 122.0058 63.8278 37.2792 178.1501 79 T 4.0493 7.3513 107.5194 62.5606 69.1198 175.2040 80 Q 4.1019 7.3082 117.9903 55.0024 31.5142 175.9865 81 W 4.0409 6.6963 115.6385 57.0748 31.7627 177.0480 82 I 3.2944 7.3468 118.4164 64.4052 37.1744 176.8584 83 H 3.9863 7.9342 117.9979 59.6564 29.3702 176.6369 84 N 4.1673 7.7118 116.0101 55.9081 38.6811 176.8081 85 W 4.3750 8.0325 120.7108 59.8869 28.8464 178.7081 86 K 3.6053 7.5719 116.7394 58.6232 31.6277 177.9115 87 A 4.5702 7.4026 119.7151 51.7222 19.1982 178.2108 88 R 4.2947 7.8922 116.8383 58.3189 31.7034 174.6567 89 G 4.0901 8.5949 102.7482 46.4073 0.0000 174.0980 90 W 3.3968 8.2394 115.0882 57.4848 26.9850 173.7869 91 K 4.7477 7.4457 115.5594 54.6084 36.1832 176.8802 92 T 4.3688 9.0746 112.0056 60.4337 70.3070 175.3650 93 A 4.0573 8.5817 123.5958 54.6893 18.2711 177.7966 94 D 4.8447 7.8115 114.4196 53.2240 39.9444 176.8723 95 K 3.8798 7.9569 115.9498 58.1959 30.4507 176.0325 96 K 4.4656 7.4830 118.7188 54.8025 33.8050 174.6935 97 P 4.5609 0.0000 0.0000 62.7718 31.6367 176.7659 98 V 3.7871 8.1490 116.7123 60.4205 32.9729 175.7787 99 K 4.0432 8.5154 125.4356 57.7840 32.8688 176.0337 100 N 4.5713 9.3128 120.8479 53.1807 36.4417 176.7014 101 V 3.7055 7.4794 120.5347 65.0607 31.0059 177.0799 102 D 4.2392 8.0624 119.1023 56.4928 39.0189 178.5360 103 L 4.1120 7.7921 119.7451 56.7243 41.7606 179.1765 104 W 4.4125 8.2813 119.1021 59.9763 29.0222 178.6152 105 Q 3.4655 8.3382 118.4916 58.5464 28.0214 178.7402 106 R 3.8493 7.5989 118.6755 59.1671 30.0573 178.3144 107 L 3.9872 8.3690 120.6714 58.1668 42.2116 178.2875 108 D 4.5941 8.7576 118.0941 57.6021 40.9774 178.2211 109 A 4.0640 7.9490 119.8723 55.1335 18.6194 179.1883 110 A 4.1037 8.1093 119.2687 55.1330 18.4963 179.8967 111 L 4.1369 8.5711 118.2812 57.7609 41.5183 179.6107 112 G 3.8235 7.9630 104.0606 46.8735 0.0000 174.9010 113 Q 4.2649 7.5686 118.4945 56.8746 29.1348 174.5021 114 H 4.9814 7.5980 115.5240 54.0388 33.8799 172.8283 115 Q 4.3247 9.0032 121.1590 55.3918 29.2978 174.2121 116 I 4.4735 8.1385 127.5490 59.9142 39.1264 175.8597 117 K 4.3512 8.6920 127.1700 54.3890 34.7061 175.0117 118 W 4.4484 8.6551 127.6445 56.0562 30.3049 175.8349 119 E 4.1945 9.2245 125.7336 54.2844 31.5257 174.9999 120 W 5.1750 8.4310 128.4527 55.5799 28.6148 176.9519 121 V 3.8586 8.2759 117.6546 61.4624 31.6511 176.4045 122 K 4.2927 8.8209 122.9405 58.5835 33.4003 177.6901 123 G 3.4201 8.1126 106.7534 47.7118 0.0000 174.0941 *127 H 4.5252 8.5533 121.3889 54.3094 29.8750 172.0821 128 P 4.1683 0.0000 0.0000 65.7186 31.2628 177.5137 129 E 3.7060 7.7420 116.1280 59.5472 29.2802 179.1462 130 N 4.4049 7.9030 115.6706 56.5266 38.6835 177.1394 131 E 4.0083 8.3687 119.9765 59.4112 29.5265 179.4526 132 R 3.9095 8.1818 118.9845 59.4921 30.0460 178.3714 133 C 4.2093 8.3049 116.8059 62.8944 28.0917 175.4709 134 N 5.2199 8.2994 119.9470 56.2497 38.4896 176.4416 135 E 3.9267 8.1503 120.6186 59.3614 29.7759 178.8346 136 L 4.0032 8.1215 118.7914 57.6954 41.5753 179.4137 137 A 4.1433 8.4411 121.1388 55.2107 18.3253 179.9383 138 R 3.8441 8.3987 116.7334 59.3818 29.9387 179.1488 139 A 3.9869 7.9157 119.1968 55.0455 18.5982 179.2940 140 A 3.9901 8.0372 119.1361 55.2085 18.2625 179.6905 141 A 4.0504 8.0396 118.4362 55.3743 18.5221 179.0081 142 M 4.3027 7.8376 114.7470 56.0452 33.6299 176.3059 143 N 4.9802 7.8819 117.4027 51.4162 39.3555 172.3311 144 P 4.3704 0.0000 0.0000 63.0041 32.5013 177.0395 145 T 4.4583 8.2226 109.5402 60.8443 70.4096 172.9512 146 L 4.7602 7.6157 121.5735 52.7916 45.3133 174.4385 147 E 4.9868 8.4867 119.6858 54.6895 31.8617 175.7008 148 D 4.7517 8.4612 125.1072 52.7331 39.8765 176.4345 149 T 3.9389 8.3951 121.0545 65.9602 68.8080 175.4366 150 G 3.9128 7.6336 105.6787 45.0935 0.0000 172.8773 151 Y 4.3225 7.9320 122.2345 56.8905 39.3955 174.3885 152 Q 4.2206 7.6713 126.0109 53.8219 30.2691 175.7479 153 V 3.5106 7.9617 121.7791 63.0029 31.5782 175.4933 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 L 8.18 4.27 0.00 1.60 1.64 0.97 0.34 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 3 K 8.46 4.01 0.00 1.65 1.43 0.00 0.92 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.54 1.55 7.81 4 Q 9.02 4.86 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 5 V 8.90 4.79 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 1.04 0.00 0.00 0.81 0.00 0.00 6 E 9.08 4.86 0.00 1.92 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 2.14 2.24 0.00 7 I 7.99 4.83 1.59 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.51 0.80 0.00 0.00 8 F 9.26 5.45 0.00 2.99 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 9 T 8.53 5.35 4.34 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 1.24 0.00 0.00 10 D 9.02 4.76 0.00 2.91 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 11 G 8.84 4.62 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 0.00 0.00 0.00 12 S 9.25 4.93 0.00 3.88 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 13 C 8.38 5.16 0.00 2.98 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 14 L 9.18 4.31 0.00 1.72 1.69 0.97 0.70 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 15 G 7.36 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 0.00 0.00 0.00 0.00 16 N 8.27 5.03 0.00 2.67 2.69 0.00 0.00 6.82 7.69 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 17 P 0.00 4.66 0.00 1.90 1.91 0.00 3.94 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 2.00 2.18 0.00 18 G 8.26 3.96 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 0.00 0.00 0.00 19 P 0.00 4.90 0.00 2.08 2.00 0.00 3.83 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 2.11 2.10 0.00 20 G 9.22 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.16 4.73 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 0.00 0.00 0.00 22 Y 8.34 5.55 0.00 3.08 3.20 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 23 G 9.46 4.69 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 24 A 9.44 5.57 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.28 5.21 2.16 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 1.20 0.94 1.08 0.00 0.00 26 L 9.36 5.18 0.00 1.88 1.87 1.04 0.79 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 27 R 9.48 5.32 0.00 1.92 1.90 0.00 3.23 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 28 Y 9.02 4.89 0.00 2.92 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 29 R 9.31 3.61 0.00 1.45 1.64 0.00 3.21 0.00 0.00 2.92 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 30 G 8.31 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 31 R 7.87 4.25 0.00 2.12 1.90 0.00 3.14 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 32 E 8.39 5.25 0.00 1.93 1.76 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 2.23 2.38 0.00 33 K 9.22 4.58 0.00 1.73 1.39 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.40 7.81 34 T 8.17 5.06 4.11 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 0.00 0.00 0.00 1.20 0.00 0.00 35 F 8.89 5.17 0.00 3.12 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 36 S 8.99 5.00 0.00 3.79 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 37 A 7.16 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.25 4.29 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 0.00 39 Y 9.24 5.31 0.00 2.90 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 40 T 9.04 3.92 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 41 R 7.77 4.68 0.00 1.81 1.85 0.00 3.33 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 42 T 8.46 3.91 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 1.18 0.00 0.00 43 T 7.89 4.83 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 1.01 0.00 0.00 44 N 8.75 4.22 0.00 2.76 2.83 0.00 0.00 6.89 6.71 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 45 N 7.95 4.27 0.00 2.36 1.87 0.00 0.00 7.10 7.66 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 46 R 7.83 3.91 0.00 1.90 1.87 0.00 3.51 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 47 M 8.09 4.07 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.82 0.00 48 A 8.12 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.81 3.87 0.00 1.72 1.45 0.23 -0.74 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 50 M 8.13 3.74 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.56 0.00 51 A 8.11 3.61 1.49 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 52 A 7.58 3.88 1.44 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 0.00 0.00 53 I 7.77 3.54 1.84 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 1.36 0.64 0.81 0.00 0.00 54 V 7.42 3.29 1.64 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 0.48 0.00 0.00 0.54 0.00 0.00 55 A 7.46 3.54 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 56 L 7.76 3.82 0.00 1.68 1.68 0.84 0.57 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 57 E 8.04 4.13 0.00 1.81 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 2.49 0.00 58 A 7.22 4.20 1.21 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 0.00 0.00 59 L 7.21 4.07 0.00 1.73 1.53 0.53 0.70 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 60 K 8.40 4.47 0.00 1.69 1.79 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.34 7.81 61 E 7.41 4.56 0.00 1.99 1.83 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 2.10 2.24 0.00 62 H 8.65 4.35 0.00 3.13 3.30 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 C 8.75 4.98 0.00 2.68 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 64 E 8.97 4.70 0.00 2.00 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 2.18 2.20 0.00 65 V 8.94 4.57 1.83 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 0.69 0.00 0.00 0.70 0.00 0.00 66 I 8.39 4.40 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.65 0.76 0.00 0.00 67 L 8.31 4.50 0.00 0.88 0.42 -0.07 0.54 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 68 S 8.60 5.66 0.00 3.93 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 69 T 8.45 5.06 4.53 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 0.00 0.00 0.00 1.73 0.00 0.00 70 D 8.94 4.86 0.00 2.92 2.86 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 0.00 0.00 0.00 0.00 71 S 8.15 4.37 0.00 4.11 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 72 Q 8.81 3.96 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 73 Y 8.05 4.19 0.00 3.27 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 74 V 8.02 3.82 2.26 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 1.15 0.00 0.00 1.08 0.00 0.00 75 R 7.50 2.51 0.00 0.89 1.44 0.00 2.34 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 76 Q 7.45 3.23 0.00 1.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 1.87 2.17 0.00 77 G 7.27 2.69 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 78 I 7.31 3.52 1.51 0.00 0.00 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 1.68 -0.25 0.67 0.00 0.00 79 T 7.35 4.05 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 0.93 0.00 0.00 80 Q 7.31 4.10 0.00 0.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 81 W 6.70 4.04 0.00 1.78 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 0.00 0.00 0.00 82 I 7.35 3.29 1.74 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.48 0.82 0.00 0.00 83 H 7.93 3.99 0.00 3.14 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 7.71 4.17 0.00 2.62 2.75 0.00 0.00 6.90 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 85 W 8.03 4.37 0.00 2.71 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 0.00 0.00 0.00 86 K 7.57 3.61 0.00 1.73 1.83 0.00 1.98 0.00 0.00 1.74 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.42 7.81 87 A 7.40 4.57 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 88 R 7.89 4.29 0.00 1.86 1.82 0.00 3.59 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 89 G 8.59 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 0.00 0.00 0.00 90 W 8.24 3.40 0.00 3.35 3.21 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 91 K 7.45 4.75 0.00 1.88 1.65 0.00 1.71 0.00 0.00 1.96 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.60 7.81 92 T 9.07 4.37 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 1.20 0.00 0.00 93 A 8.58 4.06 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 94 D 7.81 4.84 0.00 2.76 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 95 K 7.96 3.88 0.00 1.95 1.96 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.53 7.81 96 K 7.48 4.47 0.00 1.60 1.69 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.77 1.55 7.81 97 P 0.00 4.56 0.00 1.89 1.95 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 98 V 8.15 3.79 1.15 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 0.27 0.00 0.00 0.61 0.00 0.00 99 K 8.52 4.04 0.00 1.74 1.84 0.00 2.10 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.51 7.81 100 N 9.31 4.57 0.00 3.35 2.98 0.00 0.00 7.35 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 0.00 101 V 7.48 3.71 2.15 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 0.93 0.00 0.00 0.78 0.00 0.00 102 D 8.06 4.24 0.00 2.83 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 0.00 103 L 7.79 4.11 0.00 1.56 1.56 0.84 0.87 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 0.00 104 W 8.28 4.41 0.00 3.53 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 0.00 105 Q 8.34 3.47 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 106 R 7.60 3.85 0.00 1.97 2.02 0.00 3.05 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 107 L 8.37 3.99 0.00 1.84 1.99 1.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.76 4.59 0.00 3.42 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 0.00 109 A 7.95 4.06 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 0.00 110 A 8.11 4.10 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 0.00 111 L 8.57 4.14 0.00 2.00 1.87 1.39 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.96 3.82 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 0.00 0.00 0.00 113 Q 7.57 4.26 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 114 H 7.60 4.98 0.00 2.94 3.34 0.00 5.64 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 0.00 115 Q 9.00 4.32 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 116 I 8.14 4.47 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.23 0.00 0.00 117 K 8.69 4.35 0.00 1.66 1.62 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.22 1.34 7.81 118 W 8.66 4.45 0.00 2.57 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 0.00 0.00 0.00 119 E 9.22 4.19 0.00 1.82 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 2.18 2.22 0.00 120 W 8.43 5.18 0.00 3.24 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 0.00 121 V 8.28 3.86 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 0.60 0.00 0.00 1.07 0.00 0.00 122 K 8.82 4.29 0.00 1.77 1.89 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.53 7.81 123 G 8.11 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.55 4.53 0.00 3.25 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.17 0.00 2.03 2.05 0.00 3.53 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 2.06 2.16 0.00 129 E 7.74 3.71 0.00 1.16 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 1.47 2.04 0.00 130 N 7.90 4.40 0.00 2.99 2.97 0.00 0.00 7.07 7.66 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 0.00 131 E 8.37 4.01 0.00 2.13 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 0.00 2.35 2.59 0.00 132 R 8.18 3.91 0.00 1.96 2.07 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 133 C 8.30 4.21 0.00 3.29 3.24 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 0.00 134 N 8.30 5.22 0.00 2.90 3.04 0.00 0.00 6.39 7.25 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 0.00 135 E 8.15 3.93 0.00 2.29 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 2.31 2.36 0.00 136 L 8.12 4.00 0.00 1.98 1.73 0.97 0.81 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 0.00 137 A 8.44 4.14 1.54 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 0.00 138 R 8.40 3.84 0.00 2.02 2.00 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 139 A 7.92 3.99 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 0.00 140 A 8.04 3.99 1.30 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 0.00 0.00 0.00 0.00 0.00 141 A 8.04 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 M 7.84 4.30 0.00 2.01 2.30 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 2.62 2.68 0.00 143 N 7.88 4.98 0.00 2.59 2.62 0.00 0.00 7.16 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 0.00 144 P 0.00 4.37 0.00 2.24 2.11 0.00 3.73 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 1.96 1.94 0.00 145 T 8.22 4.46 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 1.19 0.00 0.00 146 L 7.62 4.76 0.00 0.99 1.42 0.73 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.49 4.99 0.00 1.95 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 2.28 2.34 0.00 148 D 8.46 4.75 0.00 2.64 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 0.00 149 T 8.40 3.94 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 1.24 0.00 0.00 150 G 7.63 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 0.00 0.00 0.00 151 Y 7.93 4.32 0.00 3.10 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 0.00 152 Q 7.67 4.22 0.00 1.81 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 153 V 7.96 3.51 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 0.77 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.