NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3374 8.3001 120.3194 54.8904 33.1313 178.7962 2 A 3.9450 8.9475 126.4875 51.8419 19.1840 176.3722 3 K 4.4028 8.0539 121.6475 54.7798 34.5013 175.1775 4 Q 4.2024 8.2825 122.2553 56.6468 29.2609 175.1941 5 S 4.5050 7.4411 112.0270 57.6140 64.5706 171.7676 6 L 4.1788 7.1922 132.5634 56.0100 45.7417 173.1871 7 D 4.4062 8.1229 118.9095 54.3059 42.4724 177.5124 8 V 4.2812 8.0468 127.8453 62.0638 31.3144 176.9118 9 S 4.3032 7.9163 116.3602 57.9724 62.3960 174.5404 10 S 3.9592 8.1945 119.8721 59.7666 62.4791 173.4814 11 D 5.0586 7.2680 122.8918 53.3128 43.1642 177.4761 12 R 4.3055 7.8651 122.7929 57.8691 30.3329 178.4294 13 R 4.0208 8.3887 118.6621 59.5788 29.7075 178.0956 14 K 3.9536 7.7231 118.2017 59.3395 32.1833 178.7244 15 A 3.8350 7.8960 120.6734 55.1031 18.4804 179.7024 16 R 4.4589 8.1549 116.6485 59.3019 29.9029 179.4025 17 K 4.0822 8.3481 118.4103 59.3475 31.7944 179.2444 18 A 4.0471 7.4151 118.8456 55.4808 18.4050 179.0764 19 Y 4.2861 7.8563 114.1790 60.4059 37.9338 177.0285 20 F 4.7926 8.2246 115.1450 57.4339 41.5199 175.3988 21 T 4.2948 7.6937 116.2374 63.1652 70.1440 173.4922 22 A 3.4688 8.1889 122.4038 52.0066 14.8180 174.3966 23 P 4.2864 0.0000 0.0000 61.2467 32.8065 177.9332 24 S 4.0609 8.5670 113.7195 62.1077 62.6501 176.6490 25 S 4.7920 7.9660 112.4228 58.4708 62.8162 174.2281 26 Q 4.6044 8.1711 117.4880 55.3503 29.9687 177.0496 27 R 4.2213 7.7897 117.5872 57.6666 30.0911 178.1630 28 R 3.8971 7.3938 117.4590 59.3750 30.0695 178.1737 29 V 3.7270 7.7237 116.8609 65.3082 31.7196 176.8930 30 L 4.4463 7.4993 114.9115 54.4305 42.1040 176.4061 31 L 4.8549 7.7111 119.0574 54.3298 43.1882 175.5327 32 S 5.5372 8.2921 113.0203 55.9331 65.0500 173.1724 33 A 4.9168 8.2704 123.3335 48.9807 22.9322 173.3794 34 P 4.5169 0.0000 0.0000 63.5607 32.2977 176.1211 35 L 4.7992 8.3881 122.6775 53.7000 42.6425 178.5364 36 S 4.6837 8.5206 120.4270 58.6345 62.5213 175.3166 37 K 4.5148 8.3931 112.6417 57.0092 34.5881 178.6927 38 E 3.9633 8.2446 119.3501 58.9228 29.6438 178.1290 39 L 4.3645 7.8565 117.1888 55.6584 42.1408 179.1911 40 R 4.0095 7.8654 118.4723 59.1485 29.9060 178.4981 41 A 3.9957 7.5502 119.8358 55.0281 18.4231 179.1220 42 Q 3.7853 7.6042 117.3438 58.5235 29.1709 177.0634 43 Y 4.7581 7.1641 113.1237 56.7115 39.4857 176.7333 44 G 4.0809 8.1688 108.0230 45.8129 0.0000 173.9173 45 I 4.5286 6.8723 120.7713 60.2436 36.1268 174.7095 46 K 4.4131 8.8175 135.0000 57.6928 36.5811 172.5432 47 A 4.9856 7.9517 117.9136 51.0781 22.5195 174.9325 48 L 4.7236 8.2995 119.0179 52.5657 46.0211 173.4650 49 P 4.5479 0.0000 0.0000 63.1321 31.5287 176.1507 50 I 3.8390 8.3227 125.5988 61.4945 37.7081 175.8569 51 R 4.4051 8.3963 125.7181 54.8931 31.6143 176.4363 52 R 4.4018 8.2686 119.9949 56.9413 29.7536 176.5451 53 D 4.7635 7.6631 111.9367 54.4054 45.2131 175.4868 54 D 4.6984 8.1948 119.6171 54.4248 42.3925 174.8793 55 E 5.0115 9.0656 121.2818 54.8685 32.6413 175.3192 56 V 4.9529 8.4900 121.9279 61.3199 35.7864 173.2620 57 L 5.2088 8.7965 126.7756 53.9237 43.4227 175.4731 58 V 4.2250 8.1971 121.5264 62.6129 31.8871 175.6840 59 V 4.3269 8.4497 125.0119 63.1838 33.9319 175.9865 60 R 4.7400 7.7865 117.3225 53.5318 30.8750 174.6502 61 G 3.8290 7.6017 111.9868 45.2380 0.0000 171.3490 62 S 4.6604 8.7433 116.8045 58.2518 63.8263 174.6416 63 K 4.6451 7.6121 120.7492 56.2745 32.6297 176.6203 64 K 4.3424 8.3389 114.6040 57.0686 32.6516 177.3454 65 G 4.3599 7.3009 101.0405 46.2603 0.0000 173.9273 66 Q 4.8484 7.7130 117.1358 54.2339 32.3615 176.2755 67 E 4.8348 8.8384 121.0877 55.0160 31.7392 175.6221 68 G 4.2987 7.8780 110.5206 45.8966 0.0000 172.6873 69 K 4.4525 7.9590 120.7317 56.3554 33.6026 176.2807 70 I 4.4514 7.7057 124.1532 60.9508 36.8795 176.3550 71 S 4.3170 8.5960 123.1582 61.3371 63.7377 174.3281 72 S 4.5786 7.6743 112.3894 57.3052 65.6161 173.9724 73 V 4.5724 7.6775 122.2889 60.3970 34.0295 173.2770 74 Y 4.7294 8.6540 122.0562 56.2278 39.9126 177.1457 75 R 4.0033 8.8678 121.1478 59.2710 30.0745 178.9583 76 L 4.0515 7.9702 117.3171 56.3133 41.7752 177.4864 77 K 3.9202 8.0013 117.0814 55.0654 33.2783 175.2598 78 F 4.0104 7.5651 111.1793 57.7546 37.3855 174.9862 79 A 5.0166 7.9637 119.3551 51.5605 23.6055 176.4870 80 V 4.7032 8.7506 120.2704 61.1341 34.4935 174.2396 81 Q 5.0623 8.8707 128.8987 54.0264 31.0186 174.1342 82 V 4.6218 8.1635 124.8720 60.8675 34.2379 174.2629 83 D 4.6379 8.8959 128.3725 53.8771 41.6255 175.7589 84 K 4.3670 9.1696 126.0833 58.3652 34.2188 175.9752 85 V 3.0010 8.4057 115.1374 61.6600 28.2384 175.6931 86 T 3.2659 7.5178 120.5151 63.7658 67.7356 170.5147 87 K 4.8927 7.9067 124.7806 56.2261 34.6348 174.8891 88 E 4.3184 8.8672 126.4359 56.2454 30.9407 176.2685 89 K 4.6366 8.7202 120.9967 54.7623 34.4489 178.2355 90 V 3.6557 8.5346 115.9570 64.0515 31.6722 176.9726 91 N 4.6312 8.1711 114.8560 52.6160 37.4897 175.3464 92 G 3.7705 8.0764 106.0661 45.6188 0.0000 173.3577 93 A 4.3086 7.9166 122.3941 51.4493 19.0372 177.8358 94 S 5.0926 8.6617 117.3771 57.2138 66.8509 173.8730 95 V 4.3281 7.9743 113.8261 59.4519 34.7253 173.9271 96 P 4.2801 0.0000 0.0000 62.7559 31.7148 172.1605 97 I 3.5760 7.7889 126.3848 60.9805 36.5943 172.4330 98 N 5.4211 8.5334 121.1830 51.6746 42.6536 173.3595 99 L 4.9089 8.7157 119.7564 53.7827 47.4194 174.3262 100 H 5.2815 8.5610 118.9190 53.9410 31.6759 172.8990 101 P 4.3369 0.0000 0.0000 65.3917 31.4807 177.6427 102 S 4.7113 8.1149 112.6413 58.4557 62.9693 174.3134 103 K 4.5958 8.0909 118.1909 55.8985 32.5998 175.1464 104 L 5.3783 7.5374 117.2080 53.1138 46.1709 176.0166 105 V 4.6739 8.4295 119.2261 61.3352 35.1386 173.7815 106 I 4.5523 8.2663 121.5665 60.5133 38.3272 175.1262 107 T 4.3727 8.8368 117.4631 63.1521 69.8607 175.0287 108 K 4.6808 7.8653 121.6263 53.7472 35.5143 175.4475 109 L 4.9670 8.6598 124.1650 53.8557 43.6775 175.6569 110 H 4.8144 8.6948 119.1331 55.5366 30.0596 174.4301 111 L 3.9706 7.8277 118.1232 56.1772 40.5115 176.3073 112 D 4.8803 8.0936 121.4438 52.0505 43.8966 175.6008 113 K 3.9489 8.4535 123.2360 58.8608 31.4641 177.4912 114 D 4.5190 8.7922 122.4216 55.8002 41.7370 177.4037 115 R 3.8682 7.9159 120.2480 59.3382 29.9365 178.1810 116 K 4.0464 7.5210 115.9494 59.0776 32.8509 178.8459 117 A 4.1116 7.6935 122.1751 55.1781 18.4176 179.3653 118 L 3.9488 7.9421 117.5364 58.0166 41.4373 179.8665 119 I 3.7517 7.2335 117.5174 63.7907 37.0647 177.2425 120 Q 4.4935 7.3910 117.6746 55.5974 29.4520 175.4910 121 R 4.6448 7.9085 116.4670 55.8606 30.9273 174.8607 122 K 3.8897 9.7690 119.3983 55.1407 31.5983 177.2596 123 G 3.6988 8.4527 107.1769 47.4885 0.0000 172.9093 124 G 3.7008 8.8674 110.4629 48.3389 0.0000 173.8765 125 K 4.1224 9.7304 121.9142 56.5444 31.8777 176.4430 126 L 4.6967 7.8082 116.3227 52.5820 43.7428 176.5961 127 E 4.2492 8.5524 122.3443 56.5332 30.5336 175.6857 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 4.34 0.00 1.93 1.37 0.00 0.00 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 2 A 8.95 3.94 1.23 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 0.00 0.00 0.00 3 K 8.05 4.40 0.00 1.71 1.69 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 4 Q 8.28 4.20 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 5 S 7.44 4.51 0.00 3.80 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 6 L 7.19 4.18 0.00 1.58 1.47 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.12 4.41 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 8 V 8.05 4.28 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 0.89 0.00 0.00 0.99 0.00 0.00 9 S 7.92 4.30 0.00 4.08 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 10 S 8.19 3.96 0.00 3.82 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 11 D 7.27 5.06 0.00 2.77 2.55 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 12 R 7.87 4.31 0.00 2.01 1.94 0.00 3.38 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 13 R 8.39 4.02 0.00 2.12 2.03 0.00 3.16 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 14 K 7.72 3.95 0.00 2.06 2.00 0.00 1.55 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 15 A 7.90 3.84 1.25 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 0.00 0.00 0.00 16 R 8.15 4.46 0.00 2.18 2.25 0.00 3.21 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 17 K 8.35 4.08 0.00 2.02 1.89 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.62 7.81 18 A 7.42 4.05 1.24 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 0.00 0.00 0.00 19 Y 7.86 4.29 0.00 2.67 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 0.00 0.00 0.00 0.00 20 F 8.22 4.79 0.00 3.28 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 21 T 7.69 4.29 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 1.26 0.00 0.00 22 A 8.19 3.47 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 23 P 0.00 4.29 0.00 2.21 2.10 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 24 S 8.57 4.06 0.00 3.89 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 25 S 7.97 4.79 0.00 3.85 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 26 Q 8.17 4.60 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 27 R 7.79 4.22 0.00 2.03 2.02 0.00 3.59 0.00 0.00 3.42 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.78 0.00 28 R 7.39 3.90 0.00 1.84 1.98 0.00 3.47 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 29 V 7.72 3.73 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 0.89 0.00 0.00 0.92 0.00 0.00 30 L 7.50 4.45 0.00 1.59 1.36 0.78 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.71 4.85 0.00 1.61 1.60 0.92 0.80 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 32 S 8.29 5.54 0.00 3.90 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 33 A 8.27 4.92 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 34 P 0.00 4.52 0.00 2.13 2.21 0.00 3.84 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 2.16 2.02 0.00 35 L 8.39 4.80 0.00 1.71 1.71 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.52 4.68 0.00 4.12 3.74 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 37 K 8.39 4.51 0.00 1.92 2.05 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.30 1.50 7.81 38 E 8.24 3.96 0.00 2.07 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 2.44 0.00 39 L 7.86 4.36 0.00 1.81 1.84 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.87 4.01 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 41 A 7.55 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 3.79 0.00 1.91 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 1.16 2.00 0.00 43 Y 7.16 4.76 0.00 3.18 2.95 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 44 G 8.17 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 45 I 6.87 4.53 1.92 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 1.35 0.76 0.93 0.00 0.00 46 K 8.82 4.41 0.00 1.78 1.71 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.31 7.81 47 A 7.95 4.99 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 48 L 8.30 4.72 0.00 1.77 1.44 0.84 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.55 0.00 2.09 2.17 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 50 I 8.32 3.84 1.93 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 1.10 0.58 0.88 0.00 0.00 51 R 8.40 4.41 0.00 1.83 1.92 0.00 3.08 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.49 0.00 52 R 8.27 4.40 0.00 1.74 1.83 0.00 3.20 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 53 D 7.66 4.76 0.00 2.18 2.45 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 54 D 8.19 4.70 0.00 2.59 2.58 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 0.00 0.00 0.00 0.00 55 E 9.07 5.01 0.00 1.89 1.83 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 2.23 2.23 0.00 56 V 8.49 4.95 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 0.99 0.00 0.00 0.93 0.00 0.00 57 L 8.80 5.21 0.00 1.85 1.72 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.20 4.22 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 0.77 0.00 0.00 0.94 0.00 0.00 59 V 8.45 4.33 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 0.84 0.00 0.00 0.99 0.00 0.00 60 R 7.79 4.74 0.00 1.77 1.80 0.00 3.42 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 61 G 7.60 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 62 S 8.74 4.66 0.00 3.98 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 63 K 7.61 4.65 0.00 1.73 1.98 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.33 7.81 64 K 8.34 4.34 0.00 2.02 2.06 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.38 7.81 65 G 7.30 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 0.00 0.00 0.00 0.00 66 Q 7.71 4.85 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 67 E 8.84 4.83 0.00 1.88 1.93 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 2.27 2.31 0.00 68 G 7.88 4.30 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 69 K 7.96 4.45 0.00 1.72 1.73 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.48 7.81 70 I 7.71 4.45 1.83 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 1.27 0.46 0.93 0.00 0.00 71 S 8.60 4.32 0.00 3.87 4.15 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 72 S 7.67 4.58 0.00 3.73 3.34 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 73 V 7.68 4.57 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 0.65 0.00 0.00 0.92 0.00 0.00 74 Y 8.65 4.73 0.00 3.06 2.88 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 75 R 8.87 4.00 0.00 2.03 2.22 0.00 2.99 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 76 L 7.97 4.05 0.00 1.61 1.68 0.94 0.81 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 77 K 8.00 3.92 0.00 1.66 1.80 0.00 1.74 0.00 0.00 1.50 0.00 0.00 2.69 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.20 7.81 78 F 7.57 4.01 0.00 3.12 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 79 A 7.96 5.02 1.53 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 80 V 8.75 4.70 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 0.93 0.00 0.00 0.94 0.00 0.00 81 Q 8.87 5.06 0.00 2.29 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 82 V 8.16 4.62 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 0.89 0.00 0.00 0.94 0.00 0.00 83 D 8.90 4.64 0.00 2.82 2.59 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 84 K 9.17 4.37 0.00 1.91 1.80 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.24 7.81 85 V 8.41 3.00 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 0.68 0.00 0.00 0.94 0.00 0.00 86 T 7.52 3.27 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 87 K 7.91 4.89 0.00 1.81 1.72 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.18 1.26 7.81 88 E 8.87 4.32 0.00 2.02 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 2.27 2.29 0.00 89 K 8.72 4.64 0.00 1.93 1.74 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.44 7.81 90 V 8.53 3.66 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 0.72 0.00 0.00 0.93 0.00 0.00 91 N 8.17 4.63 0.00 2.82 2.91 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.08 3.77 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 0.00 0.00 0.00 93 A 7.92 4.31 1.29 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 0.00 0.00 94 S 8.66 5.09 0.00 3.72 3.74 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 95 V 7.97 4.33 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 0.73 0.00 0.00 0.96 0.00 0.00 96 P 0.00 4.28 0.00 2.20 2.06 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 97 I 7.79 3.58 1.89 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 1.43 0.93 0.93 0.00 0.00 98 N 8.53 5.42 0.00 2.59 2.73 0.00 0.00 6.93 7.85 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 99 L 8.72 4.91 0.00 1.74 1.55 0.94 0.98 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 0.00 100 H 8.56 5.28 0.00 3.22 3.06 0.00 5.68 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 0.00 101 P 0.00 4.34 0.00 2.16 2.07 0.00 3.54 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.12 0.00 102 S 8.11 4.71 0.00 3.94 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 0.00 103 K 8.09 4.60 0.00 1.96 1.75 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.28 7.81 104 L 7.54 5.38 0.00 1.61 1.53 0.94 0.76 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 0.00 105 V 8.43 4.67 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 1.04 0.00 0.00 0.93 0.00 0.00 106 I 8.27 4.55 1.88 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 1.49 0.77 0.91 0.00 0.00 107 T 8.84 4.37 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 1.25 0.00 0.00 108 K 7.87 4.68 0.00 1.74 1.72 0.00 1.54 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.50 7.81 109 L 8.66 4.97 0.00 1.68 1.66 0.98 1.10 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 0.00 110 H 8.69 4.81 0.00 3.12 3.30 0.00 5.76 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.83 3.97 0.00 1.64 1.57 0.58 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.09 4.88 0.00 2.63 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 0.00 113 K 8.45 3.95 0.00 1.78 1.54 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.46 7.81 114 D 8.79 4.52 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 0.00 115 R 7.92 3.87 0.00 1.84 1.88 0.00 3.18 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 116 K 7.52 4.05 0.00 1.67 1.68 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.44 7.81 117 A 7.69 4.11 1.35 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 0.00 0.00 0.00 118 L 7.94 3.95 0.00 1.74 1.72 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.23 3.75 1.82 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 1.38 0.52 0.88 0.00 0.00 120 Q 7.39 4.49 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.41 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 121 R 7.91 4.64 0.00 1.82 1.85 0.00 3.37 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 122 K 9.77 3.89 0.00 1.79 2.10 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.17 7.81 123 G 8.45 3.70 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 0.00 0.00 0.00 124 G 8.87 3.70 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 0.00 0.00 0.00 125 K 9.73 4.12 0.00 1.75 2.25 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.37 7.81 126 L 7.81 4.70 0.00 1.62 1.55 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.55 4.25 0.00 1.87 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 2.20 2.34 0.00