NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3896 8.3049 120.3472 54.9005 33.4105 175.1191 2 E 3.8522 8.1149 124.9978 54.9402 29.8637 175.9772 3 H 4.6780 8.2585 120.2835 54.0352 28.5447 173.3990 4 V 4.3163 7.6919 124.6405 60.3338 34.3684 175.2690 5 A 4.4138 8.4813 127.4436 50.7178 19.5689 176.2397 6 F 3.2282 8.6199 124.5781 59.5194 39.7026 175.5780 7 G 3.5686 7.4767 114.9147 45.1353 0.0000 173.6314 8 S 4.0923 7.5264 117.2653 58.2224 63.2898 175.1311 9 E 3.9541 8.9107 123.2729 59.0332 29.2529 177.5797 10 D 4.9405 7.6896 118.1457 53.5748 41.9043 178.0518 11 I 3.5339 7.6682 122.5827 64.1753 37.5335 176.9209 12 E 4.0208 8.0230 117.2782 59.2807 29.6418 178.5616 13 N 4.5102 8.0014 117.2879 56.4100 38.2440 177.4801 14 T 3.8540 7.7502 116.5988 66.6717 68.6929 176.2484 15 L 4.1536 7.9643 119.2359 56.3656 41.4512 178.9139 16 A 4.2933 7.6202 120.8961 54.1039 18.3862 178.7517 17 K 4.2338 7.5293 114.5297 57.2235 33.6371 176.8835 18 M 4.3060 7.2443 120.4475 54.7290 32.9397 176.4235 19 D 4.8232 8.3585 123.4426 52.0605 42.5903 176.9762 20 D 4.5753 8.7573 119.4773 56.7918 38.6917 178.7239 21 G 3.7183 8.1469 106.5248 47.8062 0.0000 175.6437 22 Q 4.0920 8.0278 119.9073 58.2014 28.7213 178.1428 23 L 3.9411 7.9707 121.6607 58.0029 41.8900 178.3500 24 D 4.6363 7.6680 116.8377 55.9465 41.0836 177.6787 25 G 3.8431 7.9948 105.7973 44.1263 0.0000 173.8473 26 L 3.9326 6.7374 120.5498 54.4958 42.0446 176.9781 27 A 4.3145 7.8489 122.3977 52.6650 19.0342 176.8124 28 F 5.0951 6.5589 109.8772 54.5404 41.7260 174.7646 29 G 4.3959 9.5868 106.7170 46.0016 0.0000 172.7633 30 A 5.5251 8.7190 123.3142 50.4061 22.8556 175.0268 31 I 4.9887 8.9631 122.9955 59.4130 41.3396 174.1720 32 Q 4.5527 8.7208 127.6544 54.1377 31.2285 174.2679 33 L 5.8838 9.1352 125.9146 52.2386 45.9595 175.8204 34 D 5.1590 7.8994 120.7617 51.1156 41.8900 177.2031 35 G 3.8272 9.0706 106.6650 48.5147 0.0000 173.9502 36 D 4.7457 8.5223 117.2160 54.2422 41.3961 177.0486 37 G 4.0843 8.8950 108.6381 45.3818 0.0000 173.0394 38 N 4.9432 8.7864 118.1270 52.5287 39.4756 174.3400 39 I 4.3783 8.4890 123.9600 61.3995 37.6110 176.4537 40 L 4.4249 9.1801 127.5975 55.9389 43.3032 176.9789 41 Q 4.6679 7.6015 115.2905 54.7958 33.8092 174.2617 42 Y 4.8181 8.3156 120.5438 57.1442 40.8211 173.6273 43 N 5.0410 8.9131 125.7347 52.0557 39.2150 176.2546 44 A 4.0822 9.0896 120.4180 55.2102 18.3854 179.7209 45 A 3.9764 7.9875 118.9076 55.2894 18.5217 179.3260 46 E 4.0250 8.4997 117.8539 59.3951 29.5953 179.2971 47 G 3.9364 8.1463 105.3244 47.5538 0.0000 175.4301 48 D 4.4281 7.9949 120.4480 57.0509 40.8678 178.6118 49 I 4.0141 7.4996 119.5162 64.3318 37.4475 177.9317 50 T 4.4406 8.6091 108.7117 61.8355 69.2278 176.0024 51 G 3.9558 8.2975 109.3506 45.6637 0.0000 173.6450 52 R 4.3494 7.5773 119.0178 54.6517 31.6603 175.2537 53 D 4.7625 8.4074 120.1449 53.3165 41.7768 174.6801 54 P 3.9737 0.0000 0.0000 66.0099 31.5336 178.6425 55 K 4.0220 8.0603 116.0078 59.0004 32.1094 178.0863 56 Q 4.2310 7.7841 116.3483 56.8346 29.2594 176.9335 57 V 3.9589 7.3622 110.7388 62.0217 32.6143 176.3979 58 I 3.9138 7.4729 120.7059 62.8721 37.1793 175.8245 59 G 4.0331 9.1254 114.4181 45.2383 0.0000 174.0157 60 K 4.2536 8.0365 119.3884 55.3476 33.2769 175.4845 61 N 4.9195 8.9262 120.9703 52.7584 39.5199 175.7777 62 F 3.9566 9.1314 129.1892 61.1311 39.7997 176.9653 63 F 3.3868 7.7247 118.2510 58.8124 39.4017 177.4312 64 K 4.0835 8.1732 120.7414 58.1054 32.7423 176.8302 65 D 4.5440 7.9993 116.5434 56.2417 41.7996 178.2274 66 V 3.6110 7.5773 116.3992 65.1769 32.4493 176.2070 67 A 4.3330 7.5711 122.9451 49.3240 18.2050 175.0911 68 P 4.3890 0.0000 0.0000 64.1096 31.8588 179.2354 69 C 4.2227 7.6857 112.7057 60.2149 29.8612 174.1329 70 T 4.1709 7.7608 110.7279 62.1257 68.9324 174.3540 71 D 5.2147 7.7241 123.4943 52.9309 39.5283 174.6865 72 S 4.7240 7.8641 117.1354 54.9302 66.0451 174.7046 73 P 4.2695 0.0000 0.0000 65.6389 30.6669 178.7355 74 E 4.1100 7.8681 115.5690 58.7600 29.7715 176.2831 75 F 4.4778 8.2871 117.6573 58.8649 41.8604 175.7543 76 Y 4.1879 8.7619 118.9091 61.0190 38.9614 179.3051 77 G 3.5687 8.2334 107.8067 47.1807 0.0000 175.9120 78 K 4.0728 8.1003 120.5669 58.6989 31.9128 179.4661 79 F 4.1476 8.1608 121.0523 61.1957 39.7163 177.2375 80 K 3.7754 8.5155 118.9230 60.0332 32.2526 178.9142 81 E 4.0026 8.1439 119.7987 58.9714 29.3647 179.5654 82 G 3.7279 7.7914 105.7618 46.6526 0.0000 175.9238 83 V 3.4782 7.3969 121.0451 65.0958 31.5802 177.6857 84 A 4.0808 7.4136 118.4963 55.2316 18.2593 179.3731 85 S 4.3065 7.9087 112.3382 59.2343 63.0010 175.6457 86 G 3.9880 8.7682 108.8591 45.5006 0.0000 172.6742 87 N 4.9860 7.6537 116.5961 51.9121 42.1852 172.9929 88 L 4.6278 8.3152 125.3383 54.5647 45.6702 173.6356 89 N 5.5608 8.5690 122.4618 53.2965 40.2764 172.5758 90 T 4.9071 9.1679 117.6890 59.9358 71.7762 171.6426 91 M 5.3642 8.5060 125.3374 54.0221 35.5795 173.8713 92 F 4.8897 8.3339 118.4739 56.4543 41.8007 172.5363 93 E 5.0928 9.0189 118.9554 55.9861 31.0974 174.8828 94 Y 5.0660 8.9452 122.1829 57.1330 43.3285 173.2473 95 T 5.1391 7.9695 119.0323 61.7882 71.1239 173.7708 96 F 5.0360 9.6743 126.9600 56.5196 40.1355 176.1975 97 D 4.8059 8.6669 120.9210 53.0677 39.2728 174.3425 98 Y 4.3680 8.0986 122.0198 57.8479 38.5388 174.9885 99 Q 3.5111 8.4555 126.5652 56.2709 26.3843 173.2678 100 M 4.7531 7.2213 111.3353 53.8577 34.2693 174.4668 101 T 3.8322 8.4389 116.9394 63.1818 68.8702 172.1465 102 P 4.4631 0.0000 0.0000 63.6485 32.1160 175.6177 103 T 4.6403 9.1387 121.6447 61.4246 71.5923 173.2824 104 K 4.7292 8.6303 127.9057 56.1590 33.8152 175.8593 105 V 4.5633 8.9673 119.5830 59.6873 36.9950 173.6956 106 K 4.8086 8.9251 123.6381 54.8224 34.1353 174.9993 107 V 4.8981 8.7424 127.3941 61.3358 34.5297 173.8332 108 H 5.2153 9.2708 126.2826 54.9401 32.9707 171.5517 109 M 5.1567 9.1353 126.3134 53.6583 34.7334 175.1686 110 K 5.6880 8.8919 122.8400 55.3382 36.4387 174.7682 111 K 4.3721 8.8897 128.2699 56.5763 32.7641 176.3534 112 A 4.6886 8.1632 129.3281 51.3649 18.9857 177.4144 113 L 3.9714 8.6852 120.3621 57.7149 42.3793 176.8935 114 S 4.3660 7.8372 112.3951 57.2943 63.6847 173.2251 115 G 3.5335 8.5656 112.9363 46.6456 0.0000 174.8148 116 D 4.9150 8.4976 120.8837 52.4574 40.2496 176.5822 117 S 4.9126 6.9785 113.7169 56.8419 67.3348 174.3592 118 Y 5.0027 9.2089 118.9327 56.1729 42.4495 174.1273 119 W 4.9139 9.3098 122.3594 55.0314 32.0941 175.3893 120 V 4.5114 8.5053 123.3632 61.2296 33.7788 173.9844 121 F 5.6779 9.2090 127.5525 55.8685 41.5272 175.0682 122 V 5.1548 9.1498 122.9297 61.0792 34.7937 174.3392 123 K 4.8526 8.5262 125.3368 54.9721 36.2123 175.5664 124 R 4.2420 8.4583 122.0455 56.3972 31.0927 176.7473 125 V 3.9578 7.7080 115.8224 61.5891 32.3386 175.5955 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 1 M 8.30 4.39 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 2 E 8.11 3.85 0.00 1.89 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 2.30 2.38 0.00 3 H 8.26 4.68 0.00 3.26 3.32 0.00 5.49 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.69 4.32 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 0.71 0.00 0.00 0.87 0.00 0.00 5 A 8.48 4.41 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 6 F 8.62 3.23 0.00 2.56 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 7 G 7.48 3.57 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 0.00 0.00 0.00 8 S 7.53 4.09 0.00 3.75 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 9 E 8.91 3.95 0.00 2.05 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 0.00 2.25 2.32 0.00 10 D 7.69 4.94 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 11 I 7.67 3.53 1.69 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.98 0.76 0.00 0.00 12 E 8.02 4.02 0.00 2.32 2.19 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 2.31 2.40 0.00 13 N 8.00 4.51 0.00 2.95 2.90 0.00 0.00 6.93 8.40 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 14 T 7.75 3.85 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 1.12 0.00 0.00 15 L 7.96 4.15 0.00 1.40 1.39 0.06 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.62 4.29 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 17 K 7.53 4.23 0.00 1.97 1.95 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.71 1.46 7.81 18 M 7.24 4.31 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 19 D 8.36 4.82 0.00 2.89 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 20 D 8.76 4.58 0.00 2.90 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 21 G 8.15 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 22 Q 8.03 4.09 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.56 0.00 23 L 7.97 3.94 0.00 2.05 1.87 1.02 1.58 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 24 D 7.67 4.64 0.00 2.92 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 25 G 7.99 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 26 L 6.74 3.93 0.00 1.23 0.52 0.55 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.85 4.31 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 28 F 6.56 5.10 0.00 3.33 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 29 G 9.59 4.40 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 0.00 30 A 8.72 5.53 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 31 I 8.96 4.99 1.55 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.55 0.63 0.00 0.00 32 Q 8.72 4.55 0.00 1.31 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.68 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 33 L 9.14 5.88 0.00 1.66 1.54 0.51 0.64 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 34 D 7.90 5.16 0.00 2.86 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 35 G 9.07 3.83 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 0.00 0.00 0.00 36 D 8.52 4.75 0.00 2.77 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 37 G 8.90 4.08 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 0.00 0.00 0.00 38 N 8.79 4.94 0.00 3.09 2.75 0.00 0.00 7.04 7.15 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 39 I 8.49 4.38 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 1.05 0.00 0.00 40 L 9.18 4.42 0.00 1.36 1.64 0.83 1.04 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 41 Q 7.60 4.67 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 42 Y 8.32 4.82 0.00 2.94 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 43 N 8.91 5.04 0.00 3.04 3.02 0.00 0.00 6.56 7.52 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 44 A 9.09 4.08 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 45 A 7.99 3.98 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 46 E 8.50 4.02 0.00 2.07 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 1.47 1.90 0.00 47 G 8.15 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 7.99 4.43 0.00 2.91 2.78 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 0.00 0.00 0.00 49 I 7.50 4.01 2.10 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 1.61 0.66 1.00 0.00 0.00 50 T 8.61 4.44 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 1.59 0.00 0.00 51 G 8.30 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 52 R 7.58 4.35 0.00 1.95 1.72 0.00 3.19 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 53 D 8.41 4.76 0.00 2.66 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 3.97 0.00 2.26 2.50 0.00 3.68 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 2.23 2.39 0.00 55 K 8.06 4.02 0.00 1.72 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.42 7.81 56 Q 7.78 4.23 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 57 V 7.36 3.96 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 0.49 0.00 0.00 0.08 0.00 0.00 58 I 7.47 3.91 1.85 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 1.37 0.63 0.98 0.00 0.00 59 G 9.13 4.03 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 0.00 0.00 0.00 60 K 8.04 4.25 0.00 1.85 1.69 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 61 N 8.93 4.92 0.00 2.72 2.79 0.00 0.00 6.99 7.26 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 62 F 9.13 3.96 0.00 2.69 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 63 F 7.72 3.39 0.00 2.56 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 0.00 0.00 0.00 0.00 64 K 8.17 4.08 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.37 7.81 65 D 8.00 4.54 0.00 2.71 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 66 V 7.58 3.61 1.96 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 0.80 0.00 0.00 0.90 0.00 0.00 67 A 7.57 4.33 -0.04 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 68 P 0.00 4.39 0.00 1.80 1.90 0.00 3.42 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.44 0.00 69 C 7.69 4.22 0.00 3.22 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 70 T 7.76 4.17 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 0.28 0.00 0.00 71 D 7.72 5.21 0.00 2.84 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 72 S 7.86 4.72 0.00 4.12 4.06 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 73 P 0.00 4.27 0.00 2.19 2.12 0.00 3.64 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 2.11 2.16 0.00 74 E 7.87 4.11 0.00 2.32 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 0.00 2.37 2.39 0.00 75 F 8.29 4.48 0.00 2.80 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 76 Y 8.76 4.19 0.00 3.05 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 77 G 8.23 3.57 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 0.00 0.00 0.00 78 K 8.10 4.07 0.00 1.98 1.87 0.00 1.13 0.00 0.00 1.29 0.00 0.00 2.66 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.47 7.81 79 F 8.16 4.15 0.00 3.37 3.36 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 80 K 8.52 3.78 0.00 1.85 1.96 0.00 1.20 0.00 0.00 1.34 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.39 7.81 81 E 8.14 4.00 0.00 2.22 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 2.26 2.46 0.00 82 G 7.79 3.73 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 83 V 7.40 3.48 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 1.02 0.00 0.00 -0.63 0.00 0.00 84 A 7.41 4.08 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 85 S 7.91 4.31 0.00 4.02 3.93 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 86 G 8.77 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 87 N 7.65 4.99 0.00 2.78 2.62 0.00 0.00 6.53 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.32 4.63 0.00 1.85 1.65 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.57 5.56 0.00 2.78 2.71 0.00 0.00 6.89 7.70 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 90 T 9.17 4.91 4.35 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 1.43 0.00 0.00 91 M 8.51 5.36 0.00 2.01 1.77 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 92 F 8.33 4.89 0.00 3.16 3.13 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 93 E 9.02 5.09 0.00 2.00 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 2.29 2.37 0.00 94 Y 8.95 5.07 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 95 T 7.97 5.14 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 1.31 0.00 0.00 96 F 9.67 5.04 0.00 3.03 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 97 D 8.67 4.81 0.00 2.75 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 98 Y 8.10 4.37 0.00 2.95 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 99 Q 8.46 3.51 0.00 1.72 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.53 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 100 M 7.22 4.75 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 101 T 8.44 3.83 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 102 P 0.00 4.46 0.00 1.95 2.09 0.00 3.63 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 103 T 9.14 4.64 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 1.21 0.00 0.00 104 K 8.63 4.73 0.00 1.84 1.65 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 105 V 8.97 4.56 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 0.32 0.00 0.00 0.31 0.00 0.00 106 K 8.93 4.81 0.00 1.60 1.29 0.00 1.52 0.00 0.00 1.45 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.34 7.81 107 V 8.74 4.90 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 0.00 0.00 0.53 0.00 0.00 1.01 0.00 0.00 108 H 9.27 5.22 0.00 2.91 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.14 5.16 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 110 K 8.89 5.69 0.00 1.77 1.71 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 111 K 8.89 4.37 0.00 1.92 1.74 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.00 7.81 112 A 8.16 4.69 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 0.00 113 L 8.69 3.97 0.00 1.71 1.76 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.84 4.37 0.00 3.84 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 0.00 115 G 8.57 3.53 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 0.00 0.00 0.00 0.00 116 D 8.50 4.91 0.00 2.61 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 0.00 117 S 6.98 4.91 0.00 3.60 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 0.00 118 Y 9.21 5.00 0.00 3.16 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 0.00 119 W 9.31 4.91 0.00 2.96 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 0.00 120 V 8.51 4.51 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.86 0.00 0.00 121 F 9.21 5.68 0.00 2.74 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 0.00 122 V 9.15 5.15 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 0.99 0.00 0.00 1.21 0.00 0.00 123 K 8.53 4.85 0.00 1.57 1.25 0.00 1.04 0.00 0.00 0.85 0.00 0.00 2.19 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.92 7.81 124 R 8.46 4.24 0.00 1.80 1.81 0.00 3.16 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 125 V 7.71 3.96 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 0.64 0.00 0.00 0.93 0.00 0.00