NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4821 8.1927 115.2940 58.3341 64.7981 176.8662 3 S 3.5319 6.9535 113.9552 59.0659 64.4074 174.1248 4 L 3.9707 8.9298 122.7650 58.1390 42.5026 177.9012 5 C 4.3120 7.4741 118.7539 62.1384 31.5263 175.8444 6 L 4.0665 7.9140 119.7738 57.5046 41.2590 179.1028 7 Q 3.9700 7.9899 119.3476 59.1570 28.9462 178.2731 8 R 4.2888 8.2149 121.3141 59.0731 30.1458 178.5194 9 L 3.9832 8.2504 118.8027 57.6954 41.5459 179.5167 10 Q 4.0681 8.3348 118.1770 59.1208 28.5709 178.7021 11 E 4.0637 8.2696 119.5433 59.4990 29.4074 179.2251 12 E 4.1011 8.6813 119.0217 59.4052 29.5130 179.5066 13 R 4.3626 8.3954 118.7466 59.4482 30.1664 178.5166 14 K 3.9722 8.2602 118.2878 59.5669 31.9023 179.3157 15 K 3.9889 8.2051 117.2378 59.2868 32.3665 178.7861 16 W 4.3113 8.7081 128.7612 60.9088 30.4924 178.1027 17 R 4.1468 8.7729 116.9978 59.2669 29.5659 178.6255 18 K 4.2582 8.2673 118.8006 57.8870 32.3682 176.7366 19 D 4.2505 7.5686 116.7958 53.5997 44.3217 173.8375 20 H 4.2606 7.7832 120.5932 53.3516 30.8544 171.5510 21 P 4.3399 0.0000 0.0000 62.1527 31.7685 175.6514 22 F 4.2120 8.7783 122.7582 60.2312 39.5807 175.5587 23 G 3.5872 8.3503 115.8468 44.9929 0.0000 173.2375 24 F 4.9335 7.7771 118.1864 57.1266 40.4738 174.6259 25 Y 5.4749 8.2048 117.8598 56.2513 41.8644 173.6938 26 A 5.0244 8.7740 119.3435 51.1544 22.0975 175.8569 27 K 3.9876 8.8127 119.1359 54.8068 36.2540 173.3796 28 P 4.1180 0.0000 0.0000 62.7086 31.8831 176.7360 29 V 3.8734 8.6582 116.9787 61.3527 32.9511 175.3253 30 K 4.7939 8.3437 121.9948 55.4253 33.6820 177.2265 31 K 4.3121 8.9391 124.0527 55.0449 33.5312 177.8062 32 A 3.9948 8.4380 122.0869 55.0587 18.2468 178.0487 33 D 4.5687 8.0971 113.1939 53.1236 39.8097 177.5600 34 G 3.9081 8.1938 108.7124 45.6386 0.0000 174.2277 35 S 4.3939 8.0488 114.8256 57.8909 64.0142 173.0146 36 M 4.5446 8.1454 120.5848 54.4458 32.9017 176.4397 37 D 4.6098 8.7296 123.8441 52.7861 40.1765 176.8136 38 L 4.1155 8.3365 126.8219 57.1203 42.0343 178.3542 39 Q 4.5091 8.3437 116.3685 55.7000 29.1191 174.7792 40 K 5.0571 8.4681 120.5993 54.9692 35.2395 174.9391 41 W 5.2524 9.5682 127.8655 55.0591 32.6922 174.6788 42 E 5.1875 9.2129 121.8942 54.9400 31.6764 175.1124 43 A 4.6150 8.9060 124.4122 50.3155 23.7366 174.8147 44 G 3.7176 7.7487 104.9906 44.3059 0.0000 172.0148 45 I 4.2439 8.3952 125.3402 58.2668 39.5317 173.3831 46 P 4.6734 0.0000 0.0000 62.1521 31.9939 176.7564 47 G 4.6719 8.5944 109.8796 45.8098 0.0000 173.5061 48 K 4.4107 8.7921 121.8838 55.6209 32.8797 176.9259 49 E 4.0144 8.7768 123.2558 57.9960 29.9259 177.1547 50 G 3.9890 9.0557 109.7187 46.1538 0.0000 172.9376 51 T 4.8805 7.5076 108.5905 59.1481 71.7421 174.6410 52 N 4.4922 8.8591 118.7388 55.3154 38.8286 176.3045 53 W 4.4624 8.3183 117.6144 57.4366 29.7241 176.3175 54 A 4.3438 7.8989 122.4674 53.7580 18.2103 177.4672 55 G 4.0683 9.2538 110.1783 45.0357 0.0000 173.7129 56 G 3.7593 7.8135 106.3468 45.5146 0.0000 173.3229 57 V 4.4826 8.3313 122.1306 60.9267 33.2937 174.4507 58 Y 4.4305 8.5261 127.8764 56.2301 39.1974 173.5273 59 P 4.8813 0.0000 0.0000 62.4521 33.1993 175.2448 60 I 4.8222 8.8332 115.9419 59.2363 41.6113 173.9020 61 T 4.9163 8.5493 113.2107 59.8702 71.7230 173.1282 62 V 4.3985 8.6820 124.3007 61.1467 34.1446 173.9287 63 E 4.8786 8.8033 128.5798 54.8106 31.7331 174.7437 64 Y 4.4964 8.5575 124.0411 55.8352 38.8858 174.5665 65 P 4.5200 0.0000 0.0000 62.0812 32.4663 176.8651 66 N 4.3044 8.7855 116.7708 56.6465 38.6374 176.0304 67 E 4.3210 8.1284 115.0707 56.5266 29.9892 175.6770 68 Y 4.6231 8.3084 121.4268 56.9407 38.9680 174.5140 69 P 4.2106 0.0000 0.0000 62.5625 31.9564 177.5602 70 S 4.2485 7.9047 116.4908 61.3048 62.9697 174.8917 71 K 4.5787 7.7786 118.4408 53.4636 34.2745 174.1285 72 P 2.9700 0.0000 0.0000 60.9113 31.9270 174.2235 73 P 4.1581 0.0000 0.0000 62.4899 32.4543 175.1713 74 K 4.2213 8.4479 122.8446 55.1263 33.9607 175.2434 75 V 4.6723 8.0705 126.5621 60.9245 34.4375 174.0925 76 K 5.0030 8.4826 126.2424 54.6194 36.2571 176.4101 77 F 4.8806 8.6559 123.3950 55.2222 40.9134 173.1114 78 P 4.7514 0.0000 0.0000 62.4920 32.3881 176.4428 79 A 4.3151 8.6295 125.8808 54.0264 18.7056 178.2886 80 G 4.0699 8.8213 110.9085 44.7221 0.0000 173.6611 81 F 4.0181 8.1018 121.7418 58.9331 39.4216 173.7781 82 Y 4.5796 8.1083 128.3468 56.1291 39.1994 173.8940 83 H 4.5038 7.8713 123.1691 54.8749 32.7168 173.0723 84 P 4.2896 0.0000 0.0000 65.0000 31.5129 177.4578 85 N 5.2516 8.2763 113.7025 51.7936 38.7928 173.6671 86 V 4.6542 7.4082 118.7989 60.8707 33.2001 175.2960 87 Y 4.6021 8.5144 125.2514 57.3381 38.6870 175.4679 88 P 4.3655 0.0000 0.0000 66.0313 31.4850 179.0341 89 S 4.2191 8.0911 111.0439 59.6019 63.3310 174.9954 90 G 4.5965 8.4014 109.0945 46.1693 0.0000 173.4805 91 T 4.3193 7.9106 117.4656 63.9882 69.4087 173.5188 92 I 4.3209 8.3127 128.0042 60.9918 38.2263 175.4472 93 C 4.5263 8.7405 125.6963 58.5556 28.7406 173.2224 94 L 4.6324 8.1523 125.2858 53.2264 45.2109 176.6871 95 S 4.5315 9.2262 121.5948 61.1647 63.0225 176.5300 96 I 3.9958 7.8468 112.3393 62.7830 37.5488 176.7722 97 L 4.5639 7.8234 120.0753 54.2956 42.0329 175.2578 98 N 4.9334 7.7324 119.0249 51.3485 40.4587 175.0781 99 E 4.2591 8.8251 124.1173 59.1707 30.0008 177.3428 100 D 4.8020 8.6360 117.8509 54.8414 42.9433 176.0509 101 Q 4.4521 8.7097 116.4916 56.5527 28.7140 176.2996 102 D 4.8723 6.0500 124.3384 54.1575 41.9948 176.3579 103 W 4.6169 8.0886 129.5810 57.0965 31.2790 175.2705 104 R 4.1930 7.0118 122.9887 53.2409 33.3049 174.2585 105 P 4.1188 0.0000 0.0000 64.8549 31.3580 177.5837 106 A 4.0173 7.4373 118.4913 53.6056 18.5908 177.6515 107 I 3.8031 7.0438 118.1876 61.5357 37.6535 176.4802 108 T 4.7958 8.6049 115.6354 59.7768 72.1208 175.5663 109 L 3.8579 9.0571 123.3512 58.3554 41.9902 178.8017 110 K 4.0777 8.4529 118.8831 60.0724 32.0056 178.4808 111 Q 4.0413 7.8553 116.6445 58.7901 28.5711 178.6642 112 I 3.7011 7.8031 120.8783 64.6811 37.1431 178.9781 113 V 3.7081 8.0681 113.3311 64.4229 31.3431 178.7416 114 L 4.2094 8.1945 118.9963 57.5654 41.3804 179.7448 115 G 3.6122 8.1893 105.9202 47.7536 0.0000 175.9958 116 V 3.5225 7.7269 119.7320 65.6483 31.8178 177.3881 117 Q 4.1255 8.4247 119.6101 59.5783 27.4504 178.3044 118 D 4.3744 8.3471 119.7941 57.2582 40.9072 178.4845 119 L 4.1098 7.9494 120.8292 57.7788 41.7097 178.9006 120 L 3.1013 7.1103 118.0408 57.5347 41.3703 177.7319 121 D 4.8916 7.0238 112.2268 54.7123 41.7302 176.4681 122 S 4.6975 7.4150 111.0948 56.3419 62.1100 171.4280 123 P 4.3590 0.0000 0.0000 62.1831 32.3706 175.7916 124 N 4.7081 9.3411 121.3707 51.4645 39.2655 174.3394 125 P 4.5061 0.0000 0.0000 65.8307 31.5418 177.1173 126 N 4.5417 8.9040 114.9832 54.6943 39.0712 175.1656 127 S 4.6144 7.8410 114.3919 56.3604 63.0173 173.1916 128 P 4.6707 0.0000 0.0000 62.4136 29.7961 176.6603 129 A 3.8183 8.4819 129.2967 53.5616 18.8766 177.9781 130 Q 4.4118 7.5828 115.9985 53.2828 31.7524 174.6034 131 E 4.0739 8.9070 128.5960 58.9757 29.7801 176.7627 132 P 4.3437 0.0000 0.0000 65.9064 31.4062 178.0081 133 A 3.8664 7.9209 121.7677 53.8195 18.2906 179.2337 134 W 3.9554 8.3428 126.8477 60.4527 30.7607 178.0340 135 R 3.8050 8.7186 119.0966 59.6375 29.4986 178.6985 136 S 4.1205 8.3555 114.8816 61.5752 62.6761 176.1503 137 F 3.3622 8.1900 122.7194 61.0979 39.0128 176.7861 138 S 3.9953 7.4158 111.2543 59.2187 63.2918 174.9515 139 R 4.4425 7.8040 118.5523 55.9064 32.6414 175.5749 140 N 4.9346 8.1725 116.4365 50.6175 39.6007 174.1872 141 K 3.8555 8.0672 122.9650 58.9856 32.6870 177.4108 142 A 3.9701 7.9360 120.6546 55.1278 18.4096 179.0083 143 E 3.8263 8.1264 117.2565 59.4870 29.8024 178.1526 144 Y 4.1407 8.0379 119.4938 61.0171 38.8439 177.8674 145 D 4.2730 8.5808 120.1321 57.1426 40.9029 178.6962 146 K 3.7971 7.9303 120.0959 59.3537 32.0846 179.0451 147 K 3.5872 7.6387 118.5850 59.1196 31.7486 179.4686 148 V 2.7486 7.1708 118.3231 65.7007 31.2976 177.9217 149 L 3.8098 7.7112 118.8470 57.9647 41.4056 179.7009 150 L 3.9566 7.7666 118.6852 57.5783 41.5666 179.3084 151 Q 3.8725 8.1877 119.7606 58.7747 28.7874 178.0139 152 A 4.4273 8.0874 123.6771 54.5821 18.4123 179.6982 153 K 3.8916 7.8839 116.6491 59.5848 31.8913 179.0696 154 Q 3.8394 7.8837 118.8321 58.6709 29.1082 177.2647 155 Y 4.7433 7.7750 116.4921 57.1141 38.5921 175.4768 156 S 4.8046 7.9360 113.9751 57.6349 63.2926 174.5156 157 K 3.9979 10.4549 121.7317 57.4944 32.0062 176.3861 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 S 8.19 4.48 0.00 4.10 3.89 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 3 S 6.95 3.53 0.00 4.02 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 4 L 8.93 3.97 0.00 1.75 1.85 0.91 1.01 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 5 C 7.47 4.31 0.00 3.44 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.91 4.07 0.00 1.76 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.99 3.97 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 8 R 8.21 4.29 0.00 1.98 2.22 0.00 3.29 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 1.50 1.79 0.00 9 L 8.25 3.98 0.00 1.88 1.77 0.76 -0.73 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 10 Q 8.33 4.07 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 11 E 8.27 4.06 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 12 E 8.68 4.10 0.00 2.20 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 13 R 8.40 4.36 0.00 2.22 2.24 0.00 2.91 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 14 K 8.26 3.97 0.00 2.09 1.92 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.71 7.81 15 K 8.21 3.99 0.00 2.00 1.98 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.62 7.81 16 W 8.71 4.31 0.00 3.68 3.50 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 17 R 8.77 4.15 0.00 2.18 2.09 0.00 3.24 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.91 0.00 18 K 8.27 4.26 0.00 1.81 2.08 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.44 7.81 19 D 7.57 4.25 0.00 2.55 2.42 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 20 H 7.78 4.26 0.00 1.50 1.41 0.00 5.59 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.34 0.00 2.18 2.02 0.00 3.08 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.05 0.00 22 F 8.78 4.21 0.00 3.02 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 23 G 8.35 3.59 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 0.00 0.00 0.00 24 F 7.78 4.93 0.00 3.21 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 25 Y 8.20 5.47 0.00 3.15 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 26 A 8.77 5.02 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.81 3.99 0.00 1.63 1.81 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.55 1.36 7.81 28 P 0.00 4.12 0.00 1.56 1.76 0.00 3.03 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 29 V 8.66 3.87 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 0.99 0.00 0.00 30 K 8.34 4.79 0.00 1.61 1.69 0.00 1.90 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 31 K 8.94 4.31 0.00 1.90 1.74 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.36 7.81 32 A 8.44 3.99 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 33 D 8.10 4.57 0.00 2.78 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 34 G 8.19 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 35 S 8.05 4.39 0.00 4.01 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 36 M 8.15 4.54 0.00 1.87 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 37 D 8.73 4.61 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.34 4.12 0.00 1.72 1.80 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.34 4.51 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 40 K 8.47 5.06 0.00 1.86 1.75 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 41 W 9.57 5.25 0.00 3.15 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 9.21 5.19 0.00 1.96 1.98 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 2.28 2.28 0.00 43 A 8.91 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.75 3.72 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 0.00 0.00 0.00 45 I 8.40 4.24 1.98 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 1.16 1.00 0.89 0.00 0.00 46 P 0.00 4.67 0.00 1.97 1.84 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 47 G 8.59 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.79 4.41 0.00 1.96 1.86 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.55 7.81 49 E 8.78 4.01 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 50 G 9.06 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 0.00 0.00 0.00 51 T 7.51 4.88 4.70 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 1.42 0.00 0.00 52 N 8.86 4.49 0.00 2.63 2.72 0.00 0.00 6.95 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 53 W 8.32 4.46 0.00 3.53 3.55 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 54 A 7.90 4.34 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.25 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 56 G 7.81 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.33 4.48 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 0.90 0.00 0.00 0.86 0.00 0.00 58 Y 8.53 4.43 0.00 3.16 2.73 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 59 P 0.00 4.88 0.00 2.18 2.29 0.00 3.12 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 60 I 8.83 4.82 1.46 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.43 -0.05 0.00 0.00 61 T 8.55 4.92 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 62 V 8.68 4.40 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 0.04 0.00 0.00 0.63 0.00 0.00 63 E 8.80 4.88 0.00 1.71 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 2.16 2.13 0.00 64 Y 8.56 4.50 0.00 2.60 2.48 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 65 P 0.00 4.52 0.00 2.38 2.12 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 66 N 8.79 4.30 0.00 2.75 2.97 0.00 0.00 6.97 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 67 E 8.13 4.32 0.00 2.10 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 2.39 2.37 0.00 68 Y 8.31 4.62 0.00 3.09 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.21 0.00 2.16 1.19 0.00 3.64 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.70 0.00 70 S 7.90 4.25 0.00 4.15 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 71 K 7.78 4.58 0.00 1.71 1.57 0.00 1.93 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.32 7.81 72 P 0.00 2.97 0.00 1.54 0.86 0.00 3.47 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 73 P 0.00 4.16 0.00 1.24 0.66 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 74 K 8.45 4.22 0.00 1.66 1.52 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.25 7.81 75 V 8.07 4.67 1.82 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 0.62 0.00 0.00 0.62 0.00 0.00 76 K 8.48 5.00 0.00 1.60 1.58 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.28 7.81 77 F 8.66 4.88 0.00 2.76 2.28 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 78 P 0.00 4.75 0.00 2.37 2.17 0.00 3.64 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 79 A 8.63 4.32 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 80 G 8.82 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 81 F 8.10 4.02 0.00 3.22 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.11 4.58 0.00 2.86 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 83 H 7.87 4.50 0.00 3.27 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.29 0.00 2.03 2.07 0.00 2.94 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 1.43 1.89 0.00 85 N 8.28 5.25 0.00 2.79 2.73 0.00 0.00 7.04 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 86 V 7.41 4.65 2.37 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 1.12 0.00 0.00 1.14 0.00 0.00 87 Y 8.51 4.60 0.00 3.12 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 88 P 0.00 4.37 0.00 2.26 2.21 0.00 3.86 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 89 S 8.09 4.22 0.00 3.99 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 90 G 8.40 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.91 4.32 4.44 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 1.27 0.00 0.00 92 I 8.31 4.32 1.73 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.47 0.86 0.00 0.00 93 C 8.74 4.53 0.00 2.85 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.15 4.63 0.00 1.62 1.41 0.96 0.94 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 95 S 9.23 4.53 0.00 3.93 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 0.00 96 I 7.85 4.00 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.93 0.00 0.00 97 L 7.82 4.56 0.00 1.78 1.62 0.80 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.73 4.93 0.00 2.70 2.82 0.00 0.00 6.89 7.65 0.00 0.00 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 E 8.83 4.26 0.00 2.21 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 2.28 2.35 0.00 100 D 8.64 4.80 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.71 4.45 0.00 2.28 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 102 D 6.05 4.87 0.00 2.79 2.68 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 0.00 103 W 8.09 4.62 0.00 3.42 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.01 4.19 0.00 1.40 1.42 0.00 3.23 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.39 0.00 105 P 0.00 4.12 0.00 1.88 2.04 0.00 3.49 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.21 0.00 106 A 7.44 4.02 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.04 3.80 1.28 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 1.18 0.27 1.00 0.00 0.00 108 T 8.60 4.80 4.33 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 1.30 0.00 0.00 109 L 9.06 3.86 0.00 1.63 1.77 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.45 4.08 0.00 1.99 1.87 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.43 7.81 111 Q 7.86 4.04 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 112 I 7.80 3.70 1.99 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 1.62 0.75 0.80 0.00 0.00 113 V 8.07 3.71 2.47 0.00 0.00 0.00 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 1.07 0.00 0.00 114 L 8.19 4.21 0.00 1.76 1.74 0.86 0.52 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 0.00 115 G 8.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.52 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 0.73 0.00 0.00 0.83 0.00 0.00 117 Q 8.42 4.13 0.00 2.53 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 118 D 8.35 4.37 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.95 4.11 0.00 1.86 1.73 0.97 0.68 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 0.00 120 L 7.11 3.10 0.00 0.94 0.13 0.74 0.74 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 0.00 121 D 7.02 4.89 0.00 2.68 2.74 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 0.00 122 S 7.41 4.70 0.00 3.86 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 0.00 123 P 0.00 4.36 0.00 1.23 1.48 0.00 3.58 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 0.96 1.77 0.00 124 N 9.34 4.71 0.00 2.73 2.66 0.00 0.00 6.98 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 0.00 125 P 0.00 4.51 0.00 2.34 2.35 0.00 3.85 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 126 N 8.90 4.54 0.00 2.80 2.90 0.00 0.00 6.78 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 S 7.84 4.61 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.67 0.00 1.50 1.15 0.00 3.59 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 1.65 1.44 0.00 129 A 8.48 3.82 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.58 4.41 0.00 2.32 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 131 E 8.91 4.07 0.00 2.12 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 2.50 2.45 0.00 132 P 0.00 4.34 0.00 2.52 2.42 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 133 A 7.92 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.34 3.96 0.00 3.42 3.29 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 0.00 135 R 8.72 3.80 0.00 2.21 2.23 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 136 S 8.36 4.12 0.00 4.25 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 0.00 137 F 8.19 3.36 0.00 2.23 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 0.00 138 S 7.42 4.00 0.00 3.38 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 0.00 139 R 7.80 4.44 0.00 1.76 1.89 0.00 3.26 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.60 0.00 140 N 8.17 4.93 0.00 2.65 2.75 0.00 0.00 6.64 5.68 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 0.00 141 K 8.07 3.86 0.00 1.68 1.69 0.00 1.25 0.00 0.00 1.17 0.00 0.00 3.07 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.37 1.55 7.81 142 A 7.94 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 E 8.13 3.83 0.00 2.05 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 2.41 2.35 0.00 144 Y 8.04 4.14 0.00 3.15 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 0.00 145 D 8.58 4.27 0.00 2.85 2.68 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 0.00 146 K 7.93 3.80 0.00 1.89 1.84 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.40 7.81 147 K 7.64 3.59 0.00 1.17 0.81 0.00 1.18 0.00 0.00 1.25 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.20 7.81 148 V 7.17 2.75 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.07 0.00 0.00 149 L 7.71 3.81 0.00 1.72 1.61 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.77 3.96 0.00 1.51 1.58 0.79 0.65 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 0.00 151 Q 8.19 3.87 0.00 1.89 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 152 A 8.09 4.43 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.88 3.89 0.00 1.94 1.83 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.57 7.81 154 Q 7.88 3.84 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.42 0.00 0.00 0.00 0.00 0.00 1.55 2.12 0.00 155 Y 7.77 4.74 0.00 3.29 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 0.00 156 S 7.94 4.80 0.00 4.00 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 0.00 157 K 10.45 4.00 0.00 1.88 1.87 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.64 1.43 7.81