NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.6230 0.0000 0.0000 62.7390 33.1530 175.1984 9 S 4.6668 9.2277 118.3422 55.9657 65.9430 171.6119 10 Q 4.5615 9.2585 127.6318 55.3235 30.3918 174.0220 11 V 4.6660 8.9821 127.7484 60.9225 34.1400 173.9954 12 A 5.0001 8.7623 130.5971 50.6858 20.6914 175.4526 13 F 5.2565 9.2301 122.4000 56.2431 41.3652 175.1457 14 E 5.3068 9.4897 122.5677 54.8124 33.4589 174.6676 15 I 4.7360 8.3208 121.8834 59.7356 42.0228 173.5369 16 R 4.8365 9.3698 124.9290 53.6068 34.0234 175.4111 17 G 4.6321 8.1894 108.5201 46.6261 0.0000 171.5817 18 T 4.6500 8.1467 110.0288 60.5577 70.3497 174.0597 19 L 4.5394 7.7178 120.7904 52.9701 45.8823 176.3695 20 L 4.3525 8.5999 121.4798 52.9696 42.6808 174.9364 21 P 4.3786 0.0000 0.0000 64.4799 31.4299 177.4700 22 G 4.0343 8.9361 110.6172 45.3914 0.0000 172.6086 23 E 3.7444 7.6338 120.4969 54.8773 31.0522 175.3371 24 V 3.7651 7.8823 117.4140 59.2423 36.7955 174.4440 25 F 4.7651 7.0176 119.3525 56.8584 40.5746 175.0599 26 A 4.9790 8.7682 122.6727 50.2606 23.1334 174.6279 27 I 4.7739 8.6468 120.1541 59.3184 40.9918 174.0868 28 C 5.2471 9.0288 128.3737 58.2743 35.6133 173.1397 29 G 2.8298 8.0151 110.4500 45.1813 0.0000 173.7134 30 S 4.5347 8.3423 114.8559 58.9636 63.3864 173.3958 31 C 4.9648 7.4216 115.0149 56.1984 33.1331 174.4709 32 D 4.2906 8.8182 118.4443 57.5897 40.3287 179.3813 33 A 4.0057 8.0178 119.5679 54.3994 18.6839 177.8797 34 L 4.3643 7.9758 113.8770 54.3989 42.4117 177.7345 35 G 3.8644 8.1120 107.6929 44.6905 0.0000 173.6370 36 N 4.2776 8.8383 115.0309 54.1776 36.4702 174.9655 37 W 3.7961 7.9069 113.4155 57.3214 28.0295 174.3593 38 N 4.8744 8.0643 118.6878 51.3595 38.4432 173.7615 39 P 4.5008 0.0000 0.0000 65.6189 31.7078 178.9768 40 Q 4.0197 8.1671 116.2622 58.3648 28.6516 177.0144 41 N 4.8991 8.2605 112.8821 52.8313 38.8260 174.6201 42 A 4.4157 7.8460 120.7396 52.0620 19.7583 177.7381 43 V 4.3013 8.4046 119.1528 61.0480 33.2902 175.0075 44 A 4.2713 8.2453 130.3797 51.7723 18.7368 177.1145 45 L 4.5958 8.7920 123.2471 54.5361 43.1804 176.2425 46 L 4.8501 8.9360 119.7777 51.9958 45.6861 174.6922 47 P 3.4883 0.0000 0.0000 62.5114 31.9336 175.3615 48 E 4.4110 8.8014 125.6719 54.7477 30.7128 175.2114 49 N 4.8317 8.5812 123.4598 52.9492 39.6012 176.1057 50 D 4.4849 8.4614 118.7338 55.1902 39.6117 177.0142 51 T 4.3236 7.7470 108.2428 60.8168 69.4148 174.5646 52 G 3.8567 7.9965 109.4035 46.5028 0.0000 174.0685 53 E 4.2333 7.9085 117.9507 56.1448 30.1184 176.7256 54 S 4.4503 8.3814 115.7812 58.9265 63.2910 173.8504 *56 L 4.3732 7.5831 122.8375 54.8418 43.3637 175.4625 57 W 5.2698 9.0921 124.8921 54.9169 33.1640 174.3158 58 K 5.2730 9.5845 122.8861 54.9892 35.9461 174.7528 59 A 5.0031 8.9924 126.4681 50.6601 22.5080 174.8843 60 T 4.9873 8.6720 119.3349 62.1643 70.3558 174.4238 61 I 4.6825 9.0957 126.8634 59.4680 41.6403 174.5168 62 V 4.5284 8.4919 126.4956 62.1566 32.1525 174.9361 63 L 4.9627 9.0233 127.5701 52.7216 45.6177 175.8433 64 S 4.6610 8.4401 116.7292 57.9801 64.1304 174.4478 65 R 4.0476 8.5887 123.8217 57.6417 30.3290 177.3615 66 G 3.8707 9.4411 110.5157 45.5424 0.0000 173.2567 67 V 4.1904 7.1460 119.5624 60.6948 32.4810 175.3287 68 S 4.5104 8.6216 122.6333 58.1974 63.0824 173.0263 69 V 4.5593 8.9737 127.2164 61.2921 34.7263 174.0273 70 Q 5.4221 9.2915 126.9121 54.8960 31.5102 174.1229 71 Y 4.8582 8.7616 119.5452 56.2458 42.0514 173.3217 72 R 4.9956 9.3672 119.7976 55.2369 34.4051 173.6745 73 Y 5.2958 8.6815 121.5895 57.6637 39.8995 174.4498 74 F 5.7727 9.1401 116.1893 55.5828 42.1636 173.1408 75 K 4.3847 8.9441 120.0137 55.3126 33.9580 176.3600 76 G 4.3072 8.0680 110.7137 46.2048 0.0000 170.7390 77 Y 4.9872 9.0485 117.2982 56.1478 41.1785 175.3191 78 F 4.8370 9.2436 122.9230 56.1415 40.3418 174.8456 79 L 4.9582 8.7637 124.0841 52.5415 44.9832 176.4007 80 E 4.5317 8.6726 119.9836 55.3706 30.3860 175.3699 81 P 4.3758 0.0000 0.0000 63.0398 31.8815 177.1232 82 K 4.3027 8.5192 120.0034 58.0292 32.5542 177.9718 83 T 4.3816 7.5199 105.2672 61.8773 70.8155 173.4546 *88 C 4.4740 7.7958 117.4411 59.6072 29.7976 173.0950 89 Q 4.6504 8.6439 120.3292 54.5171 32.3048 173.6300 90 V 4.5024 8.9073 126.3094 61.0655 33.7899 174.5258 91 I 4.3590 8.4653 129.0921 59.3687 39.5462 174.9533 92 V 3.6953 8.0930 127.9148 63.0032 31.5348 174.9853 93 H 4.6385 9.2494 129.1730 58.3544 30.4824 175.3476 94 K 4.6495 7.6109 118.8330 54.8891 35.3280 175.0302 95 W 5.1794 9.0878 127.1685 55.7835 30.6909 175.9630 96 E 3.6480 8.8546 121.5509 56.8092 29.3105 177.2885 97 T 4.3718 8.2912 119.9496 63.7472 68.6686 175.1193 98 H 4.3045 7.9772 122.5175 55.4883 28.2137 173.9356 99 L 3.6295 8.0607 124.1618 56.0588 41.9839 173.5582 100 Q 3.7216 8.7199 129.6232 54.4896 28.6208 171.7754 101 P 4.5080 0.0000 0.0000 62.6557 32.3433 176.4648 102 R 4.1989 8.3681 120.9435 56.4176 31.3770 175.5351 103 S 5.3111 8.2013 113.8706 57.3594 65.8135 172.9233 104 I 4.7301 9.2660 124.8917 60.0477 41.7975 173.8838 105 T 4.8215 8.5451 125.5808 60.5807 69.6501 171.0070 106 P 4.3888 0.0000 0.0000 62.8274 32.0070 177.2490 107 L 4.3050 8.6426 121.3248 54.6859 44.3525 176.5582 108 E 4.5659 7.8117 116.3332 54.5792 31.5300 175.8957 109 S 4.2947 8.6469 115.3377 60.9963 63.4758 173.6675 110 E 5.1635 8.0469 117.1269 54.5280 32.3086 175.7089 111 I 4.6566 8.5725 123.6585 59.6262 42.0352 174.0900 112 I 4.6702 8.3517 126.1727 59.6230 39.6518 175.1276 113 I 4.1716 9.0568 130.0136 59.7291 38.6304 174.7238 114 D 4.8628 8.5913 128.3583 53.1047 40.8460 175.1939 115 D 4.7161 9.2446 125.4700 53.2652 41.9009 178.0962 116 G 3.9308 9.0580 113.1630 46.5987 0.0000 176.7032 117 Q 4.9222 8.6694 120.3526 53.1687 30.7185 174.9340 118 F 4.2704 8.7935 123.5198 58.7596 39.2975 174.7249 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 8 P 0.00 4.62 0.00 2.09 2.12 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 9 S 9.23 4.67 0.00 3.74 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 10 Q 9.26 4.56 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 11 V 8.98 4.67 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 -0.19 0.00 0.00 0.85 0.00 0.00 12 A 8.76 5.00 1.18 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 13 F 9.23 5.26 0.00 3.02 3.17 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 14 E 9.49 5.31 0.00 1.86 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 2.24 2.24 0.00 15 I 8.32 4.74 0.63 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 0.67 0.95 0.01 0.00 0.00 16 R 9.37 4.84 0.00 1.95 1.77 0.00 3.33 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 17 G 8.19 4.63 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 0.00 0.00 0.00 18 T 8.15 4.65 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 19 L 7.72 4.54 0.00 1.34 1.13 -0.09 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.60 4.35 0.00 1.69 1.61 0.88 1.28 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 21 P 0.00 4.38 0.00 2.08 2.04 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 22 G 8.94 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 23 E 7.63 3.74 0.00 1.47 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 24 V 7.88 3.77 1.88 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 0.80 0.00 0.00 0.93 0.00 0.00 25 F 7.02 4.77 0.00 2.58 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 26 A 8.77 4.98 0.40 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 27 I 8.65 4.77 1.78 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.93 0.79 0.00 0.00 28 C 9.03 5.25 0.00 3.44 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 29 G 8.02 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 0.00 0.00 0.00 30 S 8.34 4.53 0.00 3.94 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 0.00 31 C 7.42 4.96 0.00 3.04 3.01 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 0.00 0.00 0.00 32 D 8.82 4.29 0.00 2.76 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 33 A 8.02 4.01 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.98 4.36 0.00 1.47 1.51 0.56 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.11 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 36 N 8.84 4.28 0.00 2.87 2.93 0.00 0.00 6.93 8.30 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 37 W 7.91 3.80 0.00 3.45 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 38 N 8.06 4.87 0.00 2.83 2.95 0.00 0.00 7.19 7.04 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 39 P 0.00 4.50 0.00 2.10 1.61 0.00 3.77 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 40 Q 8.17 4.02 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.23 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 41 N 8.26 4.90 0.00 2.75 2.86 0.00 0.00 6.99 7.05 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 42 A 7.85 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.40 4.30 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 1.00 0.00 0.00 0.95 0.00 0.00 44 A 8.25 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.79 4.60 0.00 1.94 2.02 1.11 1.07 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 46 L 8.94 4.85 0.00 1.44 1.33 0.87 0.99 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 47 P 0.00 3.49 0.00 1.47 1.25 0.00 3.17 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.00 48 E 8.80 4.41 0.00 1.81 1.77 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 2.18 2.30 0.00 49 N 8.58 4.83 0.00 2.72 2.72 0.00 0.00 6.85 8.08 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 50 D 8.46 4.48 0.00 2.77 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 7.75 4.32 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 52 G 8.00 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 53 E 7.91 4.23 0.00 1.96 1.90 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 2.31 2.32 0.00 54 S 8.38 4.45 0.00 3.88 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 *56 L 7.58 4.37 0.00 1.81 1.70 0.92 0.97 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 57 W 9.09 5.27 0.00 3.25 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 58 K 9.58 5.27 0.00 1.74 1.57 0.00 1.56 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.42 7.81 59 A 8.99 5.00 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 60 T 8.67 4.99 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 1.20 0.00 0.00 61 I 9.10 4.68 2.10 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 1.13 0.74 0.94 0.00 0.00 62 V 8.49 4.53 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 0.78 0.00 0.00 0.93 0.00 0.00 63 L 9.02 4.96 0.00 1.56 1.52 1.06 0.77 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 64 S 8.44 4.66 0.00 3.79 3.78 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 65 R 8.59 4.05 0.00 1.80 1.87 0.00 3.27 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 66 G 9.44 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 0.00 0.00 0.00 67 V 7.15 4.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 68 S 8.62 4.51 0.00 3.91 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 69 V 8.97 4.56 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 1.00 0.00 0.00 1.00 0.00 0.00 70 Q 9.29 5.42 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.37 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 71 Y 8.76 4.86 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 72 R 9.37 5.00 0.00 2.36 2.51 0.00 3.05 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 73 Y 8.68 5.30 0.00 3.22 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 74 F 9.14 5.77 0.00 2.62 2.31 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 75 K 8.94 4.38 0.00 1.48 1.52 0.00 1.33 0.00 0.00 1.15 0.00 0.00 2.30 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.21 7.81 76 G 8.07 4.31 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 0.00 77 Y 9.05 4.99 0.00 2.78 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.24 4.84 0.00 2.90 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 79 L 8.76 4.96 0.00 1.59 1.57 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.67 4.53 0.00 1.88 1.91 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 2.36 2.32 0.00 81 P 0.00 4.38 0.00 2.14 2.01 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 82 K 8.52 4.30 0.00 1.74 1.85 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 83 T 7.52 4.38 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 1.21 0.00 0.00 *88 C 7.80 4.47 0.00 2.96 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 89 Q 8.64 4.65 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 90 V 8.91 4.50 1.88 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 0.35 0.00 0.00 0.62 0.00 0.00 91 I 8.47 4.36 1.88 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 1.05 0.39 0.87 0.00 0.00 92 V 8.09 3.70 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 -0.08 0.00 0.00 -0.51 0.00 0.00 93 H 9.25 4.64 0.00 3.30 3.58 0.00 5.81 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.61 4.65 0.00 1.55 1.57 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.65 1.58 7.81 95 W 9.09 5.18 0.00 3.27 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.85 3.65 0.00 1.93 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 1.47 1.78 0.00 97 T 8.29 4.37 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 1.22 0.00 0.00 98 H 7.98 4.30 0.00 3.04 3.21 0.00 5.77 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 99 L 8.06 3.63 0.00 1.57 1.56 0.87 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 0.00 100 Q 8.72 3.72 0.00 2.38 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.01 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 101 P 0.00 4.51 0.00 2.01 2.16 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.90 0.00 102 R 8.37 4.20 0.00 0.67 1.21 0.00 2.85 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.00 103 S 8.20 5.31 0.00 3.87 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 0.00 104 I 9.27 4.73 2.16 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 1.18 0.00 0.00 105 T 8.55 4.82 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 1.24 0.00 0.00 106 P 0.00 4.39 0.00 2.10 2.17 0.00 3.86 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 2.29 2.02 0.00 107 L 8.64 4.30 0.00 1.60 1.70 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.81 4.57 0.00 1.92 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 2.23 2.20 0.00 109 S 8.65 4.29 0.00 3.89 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 0.00 110 E 8.05 5.16 0.00 1.81 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 2.17 2.21 0.00 111 I 8.57 4.66 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.80 0.00 0.00 112 I 8.35 4.67 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.55 0.87 0.00 0.00 113 I 9.06 4.17 1.64 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.74 1.15 0.00 0.00 114 D 8.59 4.86 0.00 2.69 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 0.00 115 D 9.24 4.72 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.06 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 0.00 0.00 0.00 117 Q 8.67 4.92 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.96 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 118 F 8.79 4.27 0.00 2.81 2.98 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 * Residues marked with a * may have inaccurate shift predictions.