NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3885 0.0000 0.0000 62.4131 32.9853 176.0233 3 N 4.4983 8.2403 115.6520 51.7633 39.4340 174.1160 4 I 3.7181 9.0176 121.9463 64.1805 38.4986 179.4371 5 S 4.1383 8.1571 115.8137 61.7743 62.6700 176.2355 6 D 4.5521 9.3263 122.1013 57.2372 40.4824 178.9983 7 I 3.7234 7.6291 119.9862 64.4892 37.1130 178.5522 8 I 3.0248 7.7097 120.9083 63.8300 36.6875 178.1504 9 E 4.1746 8.2620 120.1889 59.6671 29.5179 178.8849 10 Q 4.0415 8.3731 118.3045 59.0842 28.7257 178.4773 11 Y 4.0908 8.1767 120.5725 60.8038 38.9230 178.0379 12 L 3.9082 8.3063 120.0577 57.6614 41.6730 179.6667 13 K 4.1172 8.5596 118.9350 59.4875 31.7516 179.2163 14 Q 4.2082 8.0354 120.5752 58.5926 29.0386 178.0302 15 V 3.5852 7.2775 118.4217 65.7099 31.5537 177.7117 16 L 4.1489 7.7307 118.1701 57.2646 42.6994 178.6893 17 N 4.5690 7.9995 118.1583 51.0864 34.5006 174.0324 *19 S 4.1320 6.9715 114.0825 58.8048 64.2048 173.1508 20 D 4.4493 8.7499 124.4867 57.4424 40.7303 177.7426 21 Q 4.3419 7.9611 113.6888 55.0253 29.4208 174.9043 22 D 4.3995 7.8350 116.5549 54.7801 38.5503 174.4896 23 I 4.6436 7.6467 118.0697 59.6238 40.9225 173.5301 24 V 4.4713 8.7655 127.9769 59.7726 34.0050 174.0218 25 E 5.2093 8.7832 125.0681 54.4372 31.4426 174.6503 26 I 4.7947 8.8633 119.3881 59.0718 42.1735 173.7963 27 K 4.6982 8.4099 123.8887 55.0337 33.4329 176.2613 28 R 3.8836 9.0742 128.2380 59.7984 29.8749 178.0319 29 S 4.1139 8.1415 113.2029 61.7542 62.7508 175.8593 30 E 3.9001 8.1980 122.4686 58.9855 29.3722 178.7389 31 I 3.8546 7.9168 119.5944 64.1852 37.2681 178.2038 32 A 4.0955 8.4178 122.1044 54.9647 18.1746 179.2154 33 N 4.1915 8.4481 115.8393 56.8915 38.9196 176.9525 34 K 3.7017 7.8550 119.4335 58.7755 32.1126 177.6086 35 F 4.4495 7.8383 115.0716 55.6518 40.3718 176.0165 36 R 3.7804 7.8962 116.6793 57.1295 27.6600 174.2106 37 C 4.8725 8.1276 110.3909 56.4322 33.8172 174.6417 38 V 3.9830 8.0195 112.6799 60.2113 32.3480 175.6579 39 P 4.3041 0.0000 0.0000 66.0439 31.3298 178.7350 40 S 5.0446 7.9130 111.4572 59.5139 62.8882 175.5755 41 Q 4.0830 8.2825 124.5402 59.1726 28.7674 177.8826 42 I 3.7135 7.9651 121.2268 64.3934 37.2851 177.8956 43 N 4.3291 8.1573 116.8607 56.6131 38.2453 176.5821 44 Y 4.1088 7.9831 120.3049 60.6098 38.8109 178.2891 45 V 3.4833 7.7732 119.0901 65.9597 31.6086 177.9422 46 I 3.8558 7.8380 119.4186 64.7653 36.8611 178.2786 47 N 4.4087 8.1989 115.3583 55.3314 38.3786 176.4660 48 T 4.3381 7.2815 109.3842 61.5861 70.3488 175.0629 49 R 4.3248 8.0598 117.4924 55.3254 32.4147 175.3707 50 F 4.3819 7.9983 116.8312 56.6327 39.6865 174.9639 51 T 4.4519 7.4608 110.5387 60.2102 71.0301 175.5704 52 L 4.1254 8.4576 124.3070 57.8117 41.7836 178.5547 53 E 4.1718 8.2535 116.8189 58.5105 29.6004 177.6664 54 R 4.5191 7.7496 115.7620 55.6002 31.0265 176.6555 55 G 3.8841 8.8105 109.2201 45.3715 0.0000 172.8230 56 Y 4.9704 7.7600 115.0743 55.8376 42.0340 174.2743 57 I 4.6775 8.2932 121.8672 59.5208 40.3362 175.3186 58 V 4.9265 8.2230 122.9895 61.2064 34.5575 174.0426 59 E 5.0343 9.2267 124.2336 55.0767 33.5366 174.0518 60 S 4.8089 8.3514 113.6970 57.6206 66.6324 173.1440 61 K 4.3504 8.0043 120.5211 55.2539 35.5715 175.9933 62 R 4.4687 8.4909 126.5875 55.7108 32.3780 176.3870 63 G 3.8959 8.7187 106.1282 44.6524 0.0000 172.9072 64 G 3.8609 8.3409 107.1004 47.4443 0.0000 174.1091 65 G 3.9116 9.0552 111.4155 45.1327 0.0000 173.2628 66 G 3.8530 8.1892 107.6489 46.2272 0.0000 171.9235 67 Y 4.8402 7.1004 117.0293 56.8623 41.9130 172.4186 68 I 5.0605 8.7228 120.0247 59.6361 40.8833 175.0264 69 R 5.0429 9.6670 126.2660 54.5844 32.6810 175.4182 70 I 4.8956 8.3963 123.3012 59.1305 41.5418 174.4192 *72 K 4.1427 8.2920 122.6211 56.4452 32.8528 174.5103 73 V 4.7082 8.2782 117.6427 59.3945 35.3247 174.7970 74 K 4.7858 8.8413 124.8863 54.6041 34.6844 175.7003 75 T 4.4091 8.5212 116.5923 61.6627 70.0787 174.2822 76 K 4.3797 8.5299 123.4188 55.3402 33.7506 178.5484 77 S 4.1007 8.5227 115.7913 61.7987 62.9346 176.5765 78 E 4.1264 8.1686 116.9924 58.0271 29.0608 178.4646 79 A 3.9460 7.7290 122.3856 55.2791 18.2096 179.6083 80 Q 3.9363 7.8954 116.5965 58.7627 28.6176 178.7771 81 L 3.9962 7.6569 119.8334 57.8800 41.7820 179.3506 82 I 3.7384 7.7296 119.7872 64.4185 36.9976 178.2570 83 D 4.3701 8.2842 119.8931 57.3337 40.3389 178.8925 84 Q 4.0035 7.4959 118.1128 58.8761 28.9880 178.3765 85 L 4.1349 7.7707 119.7893 57.4617 41.6009 178.8277 86 L 3.9072 8.5107 120.7568 58.4181 41.7539 178.2822 87 E 4.2053 7.8466 115.3735 57.5607 29.6799 177.4760 88 L 4.4015 8.2446 117.6048 55.4168 42.3644 176.4908 89 I 4.1709 6.9501 120.5779 60.5400 38.6003 174.8104 90 D 4.8597 8.3000 130.9383 54.9297 39.9727 176.9196 91 H 4.6555 9.6184 115.8105 56.4303 30.3916 174.4886 92 R 5.1229 7.4653 113.5672 55.6832 32.3599 174.2714 93 I 4.6050 8.4159 120.7112 59.8908 41.5573 174.5587 94 S 4.5696 8.6926 123.7864 57.8916 64.6370 175.0261 95 Q 3.9263 8.7928 120.7940 59.3806 28.4466 178.3057 96 S 4.8882 7.9440 116.1468 61.2538 63.1199 176.2622 97 S 4.0919 8.0732 116.0078 60.6399 62.0908 175.7877 98 A 4.2090 7.9466 123.6330 54.6738 18.3345 179.3434 99 E 3.9900 8.2850 117.1848 59.3745 29.3986 179.3269 100 D 4.3307 7.7293 119.0345 57.0933 40.9340 178.7700 101 V 3.5490 7.3788 117.3216 66.1162 31.3543 178.0250 102 I 3.7217 7.5787 118.2610 64.3430 37.0440 178.2725 103 K 4.1186 7.9381 118.3833 59.8755 32.6137 178.8435 104 R 4.0744 8.0358 119.9363 58.9955 29.8998 179.4267 105 L 4.3200 7.8612 117.3003 54.9834 41.4936 179.0506 *107 E 4.2274 8.1658 119.9723 56.7419 31.1932 177.7464 108 E 4.1749 8.3213 114.2389 56.5848 29.2783 177.1818 109 K 3.9231 7.7058 116.6714 57.5010 30.1127 177.0532 110 V 3.9322 8.0227 113.9608 62.6336 31.8976 176.3730 111 I 4.7910 7.2636 111.6255 58.2150 40.5728 175.5022 112 S 4.5275 10.0250 118.4972 57.5120 65.5472 174.9433 113 E 3.9202 8.5228 121.3495 59.2252 29.0527 178.4819 114 R 3.9178 7.8459 117.8312 59.2622 30.3076 177.9600 115 E 4.0796 7.9211 116.9127 59.2648 29.5935 178.5702 116 A 4.2389 8.0112 119.8372 54.6854 20.0305 179.7499 117 K 4.1918 8.1407 118.7701 56.8118 26.7518 177.2795 *120 L 4.3077 7.7433 122.4508 54.5443 44.0496 179.7942 121 S 4.3534 8.1144 112.2955 60.6715 63.0604 174.6125 122 V 4.0626 6.8336 118.6735 61.6785 31.9975 176.0003 *124 D 4.5254 7.8655 117.9791 54.9589 43.3720 174.0323 125 R 3.9074 9.4490 126.7107 59.9365 30.0573 179.4548 126 S 4.3008 8.8516 112.5240 61.0829 62.7929 176.1772 127 V 3.9329 7.4699 121.0831 65.5173 31.7040 177.6712 128 L 4.0673 7.9456 116.9879 55.9188 41.5778 178.1826 129 Y 3.6594 8.5050 122.4228 59.0782 39.4833 170.5116 130 I 3.7459 7.4779 110.1605 60.5752 38.3913 175.0919 131 D 4.5172 8.1346 120.6380 53.7502 41.5025 176.2412 132 L 4.5208 8.0052 120.8833 53.9229 42.5666 176.4826 133 P 4.4023 0.0000 0.0000 65.4334 31.4934 178.3394 134 E 4.0063 8.2669 118.4140 59.8054 29.3169 179.1870 135 R 3.9037 8.0615 118.3952 59.5570 30.0141 178.2032 136 D 4.5953 8.6037 118.8653 56.8270 40.8838 178.6193 137 E 4.7133 7.9174 120.4005 58.6736 29.3541 178.7753 138 L 3.9517 7.8361 119.6758 58.0562 42.2236 178.6515 139 R 4.0030 7.8289 117.7031 59.1530 30.1781 178.1535 140 A 4.1829 7.8579 120.1363 55.0950 18.5203 180.8303 141 R 4.0454 7.6624 114.2113 56.7135 29.8744 178.6275 *143 L 4.2397 7.8230 121.7980 55.1318 43.8901 178.0254 144 K 4.0513 8.3539 117.9451 59.5622 32.2641 179.2419 145 A 4.4139 8.0769 119.3900 52.7718 17.7995 179.1169 *147 L 4.2699 8.0735 120.7833 56.7421 43.9779 179.5087 148 T 3.9048 8.1359 115.3036 66.7441 67.7951 176.3987 149 S 4.2225 8.1685 114.9268 61.5566 62.2411 176.1059 150 L 4.1621 7.5178 119.5530 56.5920 41.6364 178.6158 151 K 3.9687 7.8642 119.2111 57.2707 32.0501 175.2158 152 Y 5.4778 6.9538 114.5656 56.2476 41.6939 174.7446 153 K 4.8223 8.9298 119.0451 55.0080 36.6735 175.7553 154 L 4.4265 8.4089 120.4660 54.6916 42.7402 177.6007 155 E 4.3110 8.5835 121.7738 56.8635 29.7822 176.9192 156 I 4.0741 7.2293 115.3806 61.6114 37.6946 175.2733 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 P 0.00 4.39 0.00 2.21 2.19 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 3 N 8.24 4.50 0.00 3.11 3.00 0.00 0.00 5.60 6.51 0.00 0.00 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 I 9.02 3.72 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.41 0.92 0.00 0.00 5 S 8.16 4.14 0.00 4.19 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 6 D 9.33 4.55 0.00 2.88 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 7 I 7.63 3.72 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.94 0.00 0.00 8 I 7.71 3.02 1.67 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 -0.06 0.73 0.00 0.00 9 E 8.26 4.17 0.00 2.14 2.17 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 2.28 2.11 0.00 10 Q 8.37 4.04 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 11 Y 8.18 4.09 0.00 3.27 3.11 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 12 L 8.31 3.91 0.00 1.80 1.42 0.53 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.56 4.12 0.00 2.07 1.94 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.68 1.79 7.81 14 Q 8.04 4.21 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.20 0.00 15 V 7.28 3.59 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.47 0.00 0.00 16 L 7.73 4.15 0.00 1.95 1.80 1.17 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.00 4.57 0.00 3.02 3.01 0.00 0.00 6.66 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 *19 S 6.97 4.13 0.00 3.94 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 20 D 8.75 4.45 0.00 2.70 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 21 Q 7.96 4.34 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 22 D 7.83 4.40 0.00 2.81 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 23 I 7.65 4.64 1.88 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 1.45 0.87 0.90 0.00 0.00 24 V 8.77 4.47 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.89 0.00 0.00 25 E 8.78 5.21 0.00 1.87 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 26 I 8.86 4.79 1.92 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 1.19 1.18 0.95 0.00 0.00 27 K 8.41 4.70 0.00 1.89 1.75 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 28 R 9.07 3.88 0.00 1.91 1.93 0.00 3.55 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 29 S 8.14 4.11 0.00 4.09 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 30 E 8.20 3.90 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 31 I 7.92 3.85 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 1.06 0.00 0.00 32 A 8.42 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 33 N 8.45 4.19 0.00 2.80 3.02 0.00 0.00 6.80 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 34 K 7.85 3.70 0.00 1.59 1.83 0.00 1.45 0.00 0.00 0.75 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.92 7.81 35 F 7.84 4.45 0.00 3.05 3.02 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 36 R 7.90 3.78 0.00 1.95 1.95 0.00 3.09 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 37 C 8.13 4.87 0.00 3.05 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 38 V 8.02 3.98 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 0.82 0.00 0.00 0.93 0.00 0.00 39 P 0.00 4.30 0.00 2.16 2.13 0.00 3.60 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 2.12 2.18 0.00 40 S 7.91 5.04 0.00 4.07 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.28 4.08 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 42 I 7.97 3.71 1.95 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.86 0.89 0.00 0.00 43 N 8.16 4.33 0.00 3.02 2.91 0.00 0.00 6.72 7.48 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 44 Y 7.98 4.11 0.00 3.09 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 45 V 7.77 3.48 2.27 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 1.19 0.00 0.00 1.05 0.00 0.00 46 I 7.84 3.86 2.05 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.65 0.93 0.00 0.00 47 N 8.20 4.41 0.00 2.62 2.85 0.00 0.00 7.00 7.10 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 48 T 7.28 4.34 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 0.56 0.00 0.00 49 R 8.06 4.32 0.00 1.62 1.46 0.00 2.97 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 1.39 1.35 0.00 50 F 8.00 4.38 0.00 2.95 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 51 T 7.46 4.45 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 1.19 0.00 0.00 52 L 8.46 4.13 0.00 1.69 1.67 0.98 0.14 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 53 E 8.25 4.17 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 54 R 7.75 4.52 0.00 2.10 2.03 0.00 3.29 0.00 0.00 3.21 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 55 G 8.81 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 56 Y 7.76 4.97 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.29 4.68 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.46 0.92 0.00 0.00 58 V 8.22 4.93 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 0.86 0.00 0.00 0.98 0.00 0.00 59 E 9.23 5.03 0.00 2.07 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 2.26 2.39 0.00 60 S 8.35 4.81 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 61 K 8.00 4.35 0.00 1.37 0.81 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.19 1.32 7.81 62 R 8.49 4.47 0.00 1.68 1.82 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 63 G 8.72 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 0.00 0.00 0.00 64 G 8.34 3.86 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 0.00 0.00 0.00 65 G 9.06 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 66 G 8.19 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 67 Y 7.10 4.84 0.00 3.21 3.11 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 68 I 8.72 5.06 1.90 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 0.89 0.00 0.00 69 R 9.67 5.04 0.00 1.84 1.86 0.00 3.04 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 70 I 8.40 4.90 1.73 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.62 0.75 0.00 0.00 *72 K 8.29 4.14 0.00 1.85 1.68 0.00 1.05 0.00 0.00 1.16 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.35 7.81 73 V 8.28 4.71 2.16 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 0.63 0.00 0.00 0.59 0.00 0.00 74 K 8.84 4.79 0.00 1.93 1.64 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.35 7.81 75 T 8.52 4.41 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 76 K 8.53 4.38 0.00 1.77 1.74 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.37 7.81 77 S 8.52 4.10 0.00 3.86 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 78 E 8.17 4.13 0.00 2.15 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 0.00 2.33 2.34 0.00 79 A 7.73 3.95 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 80 Q 7.90 3.94 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 81 L 7.66 4.00 0.00 1.84 1.86 0.92 0.85 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 82 I 7.73 3.74 1.80 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 1.49 0.84 0.87 0.00 0.00 83 D 8.28 4.37 0.00 2.82 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 84 Q 7.50 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 85 L 7.77 4.13 0.00 1.77 1.70 0.91 0.94 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 86 L 8.51 3.91 0.00 1.93 1.68 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.85 4.21 0.00 2.00 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 2.32 2.35 0.00 88 L 8.24 4.40 0.00 1.68 1.70 0.92 0.93 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 89 I 6.95 4.17 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.91 0.00 0.00 90 D 8.30 4.86 0.00 2.62 2.34 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 91 H 9.62 4.66 0.00 3.13 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.47 5.12 0.00 1.80 1.83 0.00 3.12 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 93 I 8.42 4.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.93 0.00 0.00 94 S 8.69 4.57 0.00 3.94 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 95 Q 8.79 3.93 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 96 S 7.94 4.89 0.00 4.08 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 97 S 8.07 4.09 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 98 A 7.95 4.21 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 99 E 8.28 3.99 0.00 2.20 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 100 D 7.73 4.33 0.00 2.87 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 0.00 101 V 7.38 3.55 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 1.03 0.00 0.00 0.93 0.00 0.00 102 I 7.58 3.72 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.92 0.91 0.00 0.00 103 K 7.94 4.12 0.00 1.92 2.03 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.49 7.81 104 R 8.04 4.07 0.00 2.08 2.18 0.00 3.24 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 105 L 7.86 4.32 0.00 1.91 1.65 0.91 0.70 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 *107 E 8.17 4.23 0.00 2.05 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 0.00 2.26 2.64 0.00 108 E 8.32 4.17 0.00 2.08 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 2.33 2.42 0.00 109 K 7.71 3.92 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.43 7.81 110 V 8.02 3.93 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 0.71 0.00 0.00 0.92 0.00 0.00 111 I 7.26 4.79 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.65 0.91 0.00 0.00 112 S 10.03 4.53 0.00 3.89 4.05 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 0.00 113 E 8.52 3.92 0.00 2.05 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 2.37 2.36 0.00 114 R 7.85 3.92 0.00 1.84 1.94 0.00 3.29 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 115 E 7.92 4.08 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 116 A 8.01 4.24 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 0.00 117 K 8.14 4.19 0.00 1.91 1.79 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.77 7.81 *120 L 7.74 4.31 0.00 1.87 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.11 4.35 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 6.83 4.06 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 0.69 0.00 0.00 0.94 0.00 0.00 *124 D 7.87 4.53 0.00 2.80 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.45 3.91 0.00 1.96 2.01 0.00 3.18 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 126 S 8.85 4.30 0.00 4.02 4.05 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 0.00 127 V 7.47 3.93 2.25 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 0.88 0.00 0.00 1.01 0.00 0.00 128 L 7.95 4.07 0.00 1.68 1.74 0.93 0.89 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 0.00 129 Y 8.51 3.66 0.00 3.02 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 0.00 130 I 7.48 3.75 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 1.03 0.00 0.00 131 D 8.13 4.52 0.00 2.68 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 0.00 132 L 8.01 4.52 0.00 1.61 1.58 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 133 P 0.00 4.40 0.00 2.27 2.30 0.00 3.73 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 2.07 2.05 0.00 134 E 8.27 4.01 0.00 2.25 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 2.42 2.48 0.00 135 R 8.06 3.90 0.00 2.07 1.91 0.00 3.08 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 136 D 8.60 4.60 0.00 2.86 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 0.00 137 E 7.92 4.71 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.22 0.00 138 L 7.84 3.95 0.00 1.63 1.94 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 R 7.83 4.00 0.00 1.98 2.07 0.00 3.62 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 140 A 7.86 4.18 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 0.00 141 R 7.66 4.05 0.00 2.03 1.95 0.00 3.16 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 *143 L 7.82 4.24 0.00 1.73 1.73 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.35 4.05 0.00 2.08 1.86 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 145 A 8.08 4.41 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 *147 L 8.07 4.27 0.00 1.75 1.76 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.14 3.90 4.48 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 1.40 0.00 0.00 149 S 8.17 4.22 0.00 3.95 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 0.00 150 L 7.52 4.16 0.00 1.76 1.70 0.92 0.89 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 0.00 151 K 7.86 3.97 0.00 1.85 1.75 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.55 1.15 7.81 152 Y 6.95 5.48 0.00 2.85 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 0.00 153 K 8.93 4.82 0.00 1.79 1.86 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.43 7.81 154 L 8.41 4.43 0.00 1.64 1.63 0.93 0.76 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 0.00 155 E 8.58 4.31 0.00 1.85 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 2.31 2.23 0.00 156 I 7.23 4.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.