NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9480 8.3393 109.7394 45.1919 0.0000 174.3195 1 Q 3.9480 8.0127 117.1927 55.7036 29.3527 170.0905 2 V 4.3758 8.0884 120.6816 60.9441 33.5548 176.1638 3 Q 4.5048 8.4566 125.6617 54.0349 33.1668 174.1590 4 L 4.8899 8.4888 122.8184 53.0877 44.3363 175.6585 5 V 4.4016 8.8190 125.5107 60.8783 34.0614 174.3540 6 E 4.8740 8.8243 128.4152 56.1865 31.0502 175.6771 7 S 5.0406 9.4399 119.3843 56.8423 65.2024 173.2274 8 G 4.4501 8.2688 112.0426 45.0893 0.0000 170.0838 9 P 4.6001 0.0000 0.0000 62.9833 33.7313 176.8540 10 G 3.9482 8.0739 106.2593 44.7940 0.0000 175.7074 11 L 5.0720 8.5891 121.0291 53.6814 42.9202 175.4385 12 V 4.5494 8.8482 121.9846 59.6591 34.9995 174.4736 13 A 4.7278 8.9010 126.0345 50.6590 19.0534 175.4391 14 P 4.2772 0.0000 0.0000 64.0900 32.3861 177.0561 15 S 4.2534 8.8563 117.6284 59.1085 62.2296 171.0217 16 Q 4.3876 7.9905 118.5160 55.7445 29.9938 175.3298 17 S 4.9480 8.2394 115.3710 56.4870 65.1801 173.6828 18 L 4.1212 8.3177 126.3609 55.0573 43.3255 175.9439 19 S 4.7290 8.3060 120.7277 57.3477 66.1326 173.2864 20 I 4.6816 8.2958 125.4766 59.7926 40.8352 175.1136 21 T 4.9762 8.7830 119.6852 62.4142 72.7817 172.3740 22 C 4.9088 9.7779 128.0144 55.5628 40.5692 172.5477 23 T 4.6128 8.6175 125.1987 62.4930 69.2002 174.3332 24 V 4.7771 8.4155 127.6752 61.2172 33.5218 175.1864 25 S 4.5054 8.7801 120.6768 57.6910 66.3687 175.1137 26 G 3.9367 9.8833 109.7804 45.4902 0.0000 172.9034 27 I 4.5680 6.8092 110.8189 59.0885 40.6921 174.0515 28 S 4.5858 8.4703 115.7670 57.1507 63.5249 175.0374 29 L 4.2394 8.4052 126.5351 56.9370 41.9545 179.3249 30 S 4.4228 7.9453 114.5124 61.0736 62.9049 175.8809 31 R 4.4456 7.7844 116.8866 56.6491 30.4080 175.6501 32 Y 4.9931 7.6122 114.7646 56.1384 41.9190 174.3873 33 N 4.8452 9.4224 120.1999 51.7670 41.0243 173.9853 34 V 4.6152 7.9963 123.3492 61.5104 33.6140 174.0717 35 H 5.2806 9.2858 125.6120 53.9249 31.8200 173.4339 36 W 5.1289 8.4868 121.6295 55.2272 31.2141 175.5131 37 V 5.0801 9.3377 124.0745 61.3326 35.3282 173.9239 38 R 5.1060 8.8308 119.6532 54.7980 33.3212 173.6241 39 Q 5.2503 8.9952 120.6635 54.9991 33.0488 173.5556 40 S 4.9024 8.7514 118.4836 56.5567 66.5423 173.4865 41 P 4.2440 0.0000 0.0000 65.7680 31.4658 178.5746 42 G 3.7135 8.1862 105.7204 48.4028 0.0000 174.5190 43 K 4.1761 7.7942 117.3174 55.4639 33.2368 178.7179 44 G 3.8997 7.8925 108.5811 45.1518 0.0000 172.0905 45 L 4.9638 8.4157 119.2654 53.9024 43.1797 175.8086 46 E 4.8488 8.9924 121.7082 54.2739 33.6029 174.5443 47 W 4.6592 9.1070 134.7006 57.4708 31.2215 175.3288 48 L 4.1654 8.3419 127.3753 55.7037 43.0751 176.7874 49 G 3.1797 5.9606 103.8929 46.6034 0.0000 170.8430 50 M 4.7998 7.4503 115.1544 54.8728 34.7839 174.2590 51 I 4.8433 8.3275 119.7665 59.1446 40.3530 174.2469 52 W 4.9463 8.5826 129.6462 55.9993 29.3136 176.7792 53 G 4.2848 8.9740 110.4338 47.7481 0.0000 175.0255 54 G 3.8891 8.1924 110.3902 44.6870 0.0000 175.3234 55 G 3.9748 8.1291 103.2559 46.5457 0.0000 172.8046 56 S 4.2576 8.2048 115.5877 58.7845 63.2406 172.7964 57 I 4.9564 8.4920 128.0270 59.6633 39.0502 174.9045 58 E 4.9045 8.9119 125.5094 54.7956 33.0213 174.6382 59 Y 5.0713 8.5743 119.1501 55.8965 42.1467 174.8824 60 N 4.8937 9.1412 120.9448 53.2710 39.3396 173.8250 61 P 4.2218 0.0000 0.0000 66.1211 31.5681 176.9695 62 A 4.1337 7.9346 121.5564 54.2046 18.4089 178.3356 63 L 4.4945 7.9468 112.5646 54.2317 42.4655 178.0045 64 K 3.6183 8.2164 121.9989 59.3834 32.1677 178.7120 65 S 4.2411 8.0275 112.1300 60.3296 63.3706 174.7473 66 R 4.4782 8.0037 118.5369 56.1678 32.3513 176.5751 67 L 4.7087 7.1148 118.7607 54.5377 42.8908 176.6753 68 S 4.7091 8.7133 115.7945 57.2417 66.1204 172.8894 69 I 5.3278 9.4229 127.3506 58.8225 40.9744 174.5884 70 S 4.9069 8.7635 119.0445 58.1089 66.5263 172.3201 71 K 4.8834 8.4418 117.5647 56.2443 35.5857 175.0672 72 D 4.6951 9.1365 120.3200 52.6309 43.3238 175.7671 73 N 4.3823 9.0129 125.0197 56.2746 38.8853 177.9961 74 S 4.1936 8.2744 111.2453 60.4693 62.9750 174.8637 75 K 4.3535 7.8209 117.3622 55.2136 33.3108 175.7865 76 S 3.6911 7.9356 115.1338 60.0298 60.9462 171.7682 77 Q 4.9344 7.8706 117.1743 54.0750 32.8830 176.1060 78 I 4.5644 8.3052 123.5538 59.4443 39.8501 174.7345 79 F 5.7427 9.2341 123.9062 56.0110 43.1641 173.9513 80 L 4.7179 8.2981 121.3773 53.6101 45.9448 174.6576 81 K 5.2761 9.0012 126.1396 54.1297 35.9042 174.2765 82 M 5.0141 8.4512 126.9233 53.8505 34.6978 174.4650 82A N 4.6947 8.7436 123.9030 52.5376 40.0914 175.6016 82B S 3.6014 8.4106 113.2962 59.6799 60.3038 172.3596 82C L 4.3297 7.7466 121.5972 54.7803 42.7206 176.4728 83 Q 4.8371 8.7329 121.4242 54.1777 32.7326 176.0944 84 T 4.0597 8.3281 109.2596 63.7948 68.8930 175.5283 85 D 4.5964 7.9428 120.1183 54.5522 39.9693 176.7226 86 D 4.5972 7.8877 119.3442 55.9707 41.2620 176.9032 87 S 4.5201 7.5698 115.3391 58.7753 63.5190 173.6031 88 A 4.2695 8.3470 124.2572 51.9709 23.6470 174.4436 89 M 4.7027 8.3087 119.7348 54.9652 33.4865 174.6202 90 Y 4.7659 9.0423 124.9322 57.3636 40.0343 174.4431 91 Y 5.6938 9.6731 120.7309 56.4318 42.7670 171.7456 92 C 4.8834 8.9275 116.2545 53.4516 43.0644 172.7069 93 V 4.4190 8.1635 121.4034 60.8547 34.4601 174.1548 94 S 5.2092 8.7424 122.1230 56.7552 66.2235 172.5749 95 Y 4.7920 8.8752 119.0133 56.0956 41.8764 174.7668 96 G 3.3020 7.4479 109.9482 46.4397 0.0000 171.8240 97 Y 4.7868 8.4469 117.4231 56.7635 39.6393 174.2144 98 G 3.9972 9.0465 112.0078 45.9081 0.0000 176.1842 99 G 4.1556 8.2911 110.0460 45.2534 0.0000 172.5180 100 D 4.8388 8.2316 116.6008 54.4407 40.8880 177.0575 100A R 4.7066 7.5050 117.1421 54.2669 34.2713 174.9186 100B F 4.7450 8.7344 123.1229 60.9102 40.5213 174.9002 101 S 4.7203 7.4620 110.4522 56.7531 66.4126 173.2012 102 Y 4.6133 8.3618 117.8750 55.9967 41.4094 174.0818 103 W 4.6656 8.8381 134.5268 55.1050 32.3855 175.7216 104 G 4.4127 8.4647 114.9414 45.7181 0.0000 173.3955 105 Q 4.3105 8.9046 118.3742 57.5175 29.0695 177.7319 106 G 3.9078 9.8922 103.4531 45.0442 0.0000 172.7129 107 T 4.5609 8.4195 113.8689 60.0836 70.7267 172.4594 108 L 4.5227 8.6799 131.4334 54.6071 43.3549 175.6499 109 V 4.4100 8.7465 126.3704 61.5866 33.9281 174.3485 110 T 4.5277 9.0953 125.9669 61.6510 70.2705 173.4758 111 V 4.4037 9.0436 128.2695 62.7106 31.8686 176.0800 112 S 4.3439 9.1115 122.9892 59.0913 63.1538 175.3572 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.34 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 Q 8.01 3.95 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 2 V 8.09 4.38 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 -0.02 0.00 0.00 0.53 0.00 0.00 3 Q 8.46 4.50 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.52 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 4 L 8.49 4.89 0.00 1.50 1.45 0.79 0.52 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 5 V 8.82 4.40 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 1.07 0.00 0.00 0.91 0.00 0.00 6 E 8.82 4.87 0.00 2.13 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 0.00 2.66 2.44 0.00 7 S 9.44 5.04 0.00 3.87 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 8 G 8.27 4.45 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 0.00 9 P 0.00 4.60 0.00 2.13 2.11 0.00 3.64 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.82 0.00 10 G 8.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.59 5.07 0.00 1.51 1.59 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.85 4.55 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 0.82 0.00 0.00 0.88 0.00 0.00 13 A 8.90 4.73 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 14 P 0.00 4.28 0.00 2.11 2.20 0.00 3.75 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 2.06 1.99 0.00 15 S 8.86 4.25 0.00 4.07 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 16 Q 7.99 4.39 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 17 S 8.24 4.95 0.00 3.78 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 18 L 8.32 4.12 0.00 1.66 1.50 0.62 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.31 4.73 0.00 3.65 3.65 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 20 I 8.30 4.68 1.22 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.57 1.04 0.00 0.00 21 T 8.78 4.98 4.36 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 1.32 0.00 0.00 22 C 9.78 4.91 0.00 2.48 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.62 4.61 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 24 V 8.42 4.78 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 0.54 0.00 0.00 0.71 0.00 0.00 25 S 8.78 4.51 0.00 3.74 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 26 G 9.88 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 27 I 6.81 4.57 1.50 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.34 0.44 0.00 0.00 28 S 8.47 4.59 0.00 3.93 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 29 L 8.41 4.24 0.00 2.08 1.66 0.82 0.67 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 30 S 7.95 4.42 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.78 4.45 0.00 1.89 1.88 0.00 3.21 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 32 Y 7.61 4.99 0.00 2.87 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 9.42 4.85 0.00 2.59 2.43 0.00 0.00 6.57 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.00 4.62 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 0.42 0.00 0.00 0.76 0.00 0.00 35 H 9.29 5.28 0.00 2.93 3.26 0.00 5.66 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 36 W 8.49 5.13 0.00 3.12 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 37 V 9.34 5.08 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 1.11 0.00 0.00 0.96 0.00 0.00 38 R 8.83 5.11 0.00 1.11 1.19 0.00 2.39 0.00 0.00 2.69 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.00 39 Q 9.00 5.25 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 40 S 8.75 4.90 0.00 3.91 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 41 P 0.00 4.24 0.00 2.08 2.16 0.00 3.70 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 2.04 2.10 0.00 42 G 8.19 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.79 4.18 0.00 1.72 2.09 0.00 1.97 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.39 7.81 44 G 7.89 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 45 L 8.42 4.96 0.00 1.76 1.78 0.98 1.12 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 46 E 8.99 4.85 0.00 1.90 1.85 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 2.28 2.28 0.00 47 W 9.11 4.66 0.00 3.33 3.22 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 48 L 8.34 4.17 0.00 1.67 1.60 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 G 5.96 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 0.00 0.00 0.00 50 M 7.45 4.80 0.00 2.13 1.76 0.00 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.75 0.00 51 I 8.33 4.84 1.87 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 1.27 1.42 0.89 0.00 0.00 52 W 8.58 4.95 0.00 3.18 3.19 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 53 G 8.97 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 0.00 0.00 0.00 0.00 54 G 8.19 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 0.00 0.00 0.00 55 G 8.13 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.20 4.26 0.00 3.88 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 57 I 8.49 4.96 1.80 0.00 0.00 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 1.35 1.02 0.39 0.00 0.00 58 E 8.91 4.90 0.00 2.20 2.20 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 2.41 2.49 0.00 59 Y 8.57 5.07 0.00 2.92 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 60 N 9.14 4.89 0.00 3.11 2.78 0.00 0.00 7.23 7.30 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 61 P 0.00 4.22 0.00 2.29 2.29 0.00 4.10 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 62 A 7.93 4.13 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 63 L 7.95 4.49 0.00 1.72 1.69 0.95 0.83 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 64 K 8.22 3.62 0.00 1.98 2.01 0.00 1.85 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.22 7.81 65 S 8.03 4.24 0.00 3.98 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.00 4.48 0.00 1.71 2.05 0.00 3.10 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 67 L 7.11 4.71 0.00 1.34 1.51 0.95 0.75 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 68 S 8.71 4.71 0.00 3.82 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 69 I 9.42 5.33 1.90 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 1.05 1.69 1.17 0.00 0.00 70 S 8.76 4.91 0.00 4.02 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 71 K 8.44 4.88 0.00 1.83 1.79 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.46 7.81 72 D 9.14 4.70 0.00 2.99 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 73 N 9.01 4.38 0.00 2.82 2.87 0.00 0.00 6.79 7.57 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 74 S 8.27 4.19 0.00 3.99 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 75 K 7.82 4.35 0.00 1.80 1.89 0.00 1.94 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.41 7.81 76 S 7.94 3.69 0.00 3.97 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 7.87 4.93 0.00 1.80 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.49 0.00 78 I 8.31 4.56 1.50 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.39 0.83 0.00 0.00 79 F 9.23 5.74 0.00 3.04 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 80 L 8.30 4.72 0.00 0.27 0.17 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 81 K 9.00 5.28 0.00 1.74 1.51 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.12 7.81 82 M 8.45 5.01 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 82A N 8.74 4.69 0.00 2.62 2.68 0.00 0.00 7.32 7.62 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 82B S 8.41 3.60 0.00 3.91 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 82C L 7.75 4.33 0.00 1.68 1.56 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.73 4.84 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 84 T 8.33 4.06 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 1.21 0.00 0.00 85 D 7.94 4.60 0.00 2.82 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 86 D 7.89 4.60 0.00 2.98 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 87 S 7.57 4.52 0.00 3.91 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 88 A 8.35 4.27 1.10 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 0.00 0.00 89 M 8.31 4.70 0.00 1.99 1.87 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 1.74 2.09 0.00 90 Y 9.04 4.77 0.00 2.97 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.67 5.69 0.00 2.75 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 0.00 0.00 0.00 0.00 92 C 8.93 4.88 0.00 2.12 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 93 V 8.16 4.42 1.43 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 0.21 0.00 0.00 -0.94 0.00 0.00 94 S 8.74 5.21 0.00 3.73 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 95 Y 8.88 4.79 0.00 2.49 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 0.00 0.00 0.00 0.00 96 G 7.45 3.30 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 0.00 97 Y 8.45 4.79 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.05 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 0.00 0.00 0.00 99 G 8.29 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 0.00 0.00 0.00 0.00 100 D 8.23 4.84 0.00 2.87 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 100A R 7.51 4.71 0.00 0.99 1.43 0.00 3.24 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 100B F 8.73 4.74 0.00 2.99 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 0.00 101 S 7.46 4.72 0.00 3.13 3.39 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 0.00 102 Y 8.36 4.61 0.00 2.67 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 0.00 103 W 8.84 4.67 0.00 3.26 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 0.00 104 G 8.46 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.31 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 106 G 9.89 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 0.00 107 T 8.42 4.56 4.45 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 1.28 0.00 0.00 108 L 8.68 4.52 0.00 1.68 1.56 0.98 0.94 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 0.00 109 V 8.75 4.41 2.14 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 0.81 0.00 0.00 0.58 0.00 0.00 110 T 9.10 4.53 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 111 V 9.04 4.40 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 0.78 0.00 0.00 0.96 0.00 0.00 112 S 9.11 4.34 0.00 3.85 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