NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 3.8666 8.4045 120.3002 54.9707 33.1198 175.4299 2 K 4.0760 8.3157 128.1877 52.7719 31.6327 172.1742 3 L 4.4491 8.0588 125.5061 53.5723 43.6387 175.9792 4 D 5.0063 8.4637 120.3269 51.0912 42.7078 175.9264 5 Q 3.9455 8.6486 117.9908 59.7608 28.8839 178.5435 6 I 3.7453 7.7790 120.3550 64.2115 37.1691 177.7781 7 D 4.3574 8.2088 119.5144 57.6013 40.6536 178.7561 8 L 3.9916 7.7541 118.8966 58.2193 41.6478 179.5871 9 N 4.3551 8.3349 116.1463 56.0409 38.4427 177.3061 10 I 3.6870 7.8928 121.4174 64.6177 37.2278 178.0762 11 I 3.6578 7.7375 120.1311 64.7082 37.0501 177.9671 12 E 3.9366 8.3724 119.3242 59.9012 29.3091 179.6122 13 E 4.0576 8.2702 118.1025 59.2864 29.3894 179.3384 14 L 4.2448 8.2922 118.6310 57.4583 41.6992 179.3230 15 K 4.1637 8.6800 120.7831 60.1098 32.1240 179.6688 16 K 4.4106 7.7997 122.3974 58.7371 32.1687 178.4542 17 D 4.5690 8.2498 121.7757 53.5188 42.3173 175.2755 18 S 4.6854 8.6277 120.7370 59.0124 63.5351 175.4753 19 R 4.0695 8.7685 120.9871 58.2000 30.1939 177.1152 20 L 4.1402 7.1856 116.9425 55.4191 42.2597 178.0508 21 S 4.4373 9.5391 118.5967 58.0669 65.2563 175.3947 22 M 4.1565 8.6418 124.3046 59.0516 31.6228 180.0413 23 R 3.9590 7.8456 120.4254 61.4758 29.9687 181.7823 24 E 4.1827 7.9848 119.3246 59.1010 29.3397 179.4677 25 L 4.0649 8.1471 120.4845 58.0729 42.2053 178.9641 26 G 3.8102 8.3244 107.4187 47.3290 0.0000 175.5381 27 R 3.9482 7.8052 119.8227 58.8911 30.1238 178.5325 28 K 4.1584 7.7676 117.6717 58.7529 32.3038 178.5142 29 I 4.1289 7.7809 110.1635 59.7449 39.5228 174.5936 30 K 3.7935 8.7734 118.7021 56.4535 28.8685 175.5787 31 L 4.7023 7.0310 118.5334 51.9671 46.5101 176.7410 32 S 4.5007 8.4205 116.9198 57.3255 65.2230 173.7749 33 P 4.2099 0.0000 0.0000 65.3170 31.3087 177.2971 34 P 4.4571 0.0000 0.0000 65.8118 30.9985 178.6637 35 S 4.0982 7.6890 114.0741 61.4681 62.7129 176.7133 36 V 3.5858 7.7902 121.1914 66.2039 31.2886 178.1446 37 T 3.8540 8.3528 110.0691 64.9112 68.4053 176.0425 38 E 3.9787 8.1981 121.5586 58.6574 29.5441 179.0245 39 R 3.9773 7.9119 118.5600 58.9517 30.2585 178.8824 40 V 3.6831 8.2171 120.7516 66.5689 31.5263 178.5503 41 R 4.0266 8.1540 120.5282 62.0692 29.2053 180.5997 42 Q 4.4660 7.9810 118.9194 58.5902 28.7980 178.7116 43 L 4.0802 8.2607 120.5763 57.7048 41.2261 179.2855 44 E 4.1468 8.4935 117.8057 58.9239 29.5568 179.2167 45 S 4.1796 8.1629 113.9734 61.0251 63.4643 175.3445 46 F 4.0421 8.4430 117.2923 57.9116 38.6340 176.1396 47 G 3.9715 7.8697 108.5374 45.9092 0.0000 174.9532 48 I 3.7651 7.8248 121.6774 63.7348 37.1389 176.6369 49 I 4.1801 7.5277 120.8805 59.8626 37.7491 175.5490 50 K 4.1800 8.4320 125.3725 58.4613 32.7552 177.0022 51 Q 4.3907 7.1923 114.5873 55.4864 31.4751 172.3578 52 Y 4.4483 8.6494 121.5736 57.0777 38.9662 174.5495 53 T 4.7683 8.0716 122.0854 61.2716 69.8061 172.0061 54 L 4.5484 8.0990 119.0706 54.2242 44.9518 174.8557 55 E 4.6825 8.5903 123.4358 54.1864 32.3423 175.0922 56 V 4.3281 8.1404 124.5177 60.5527 34.6137 175.0530 57 D 4.5336 8.4693 125.2294 53.8862 41.5187 177.0366 58 Q 3.9908 8.5604 127.6594 58.7512 28.8652 178.2214 59 K 3.8786 8.0769 120.2601 59.6388 31.9765 178.6074 60 K 4.1238 7.6941 116.2239 58.2921 32.0644 177.6739 61 L 4.3108 7.4974 117.7079 54.4323 41.5527 177.2210 62 G 3.8880 8.4788 107.4510 46.0132 0.0000 174.2276 63 L 4.9916 7.9049 118.2708 52.4712 41.2258 175.0620 64 P 4.3823 0.0000 0.0000 64.0620 32.7400 177.1606 65 V 4.3744 7.6620 120.5058 61.4793 33.5908 174.7227 66 S 5.1759 8.4704 122.0719 57.0690 67.0511 172.6754 67 C 5.1739 8.7797 119.7831 58.1802 33.0106 172.8547 68 I 4.7410 8.8758 122.5302 59.9665 39.0188 174.9202 69 V 4.8921 9.1027 126.3543 61.1848 34.6482 173.8220 70 E 5.2081 9.3186 127.4680 55.0229 31.5023 174.7951 71 A 5.2012 9.1649 126.0442 50.2958 22.5085 174.8121 72 T 4.5391 8.8527 116.8699 59.7636 69.9746 173.3560 73 V 3.9744 8.4203 128.9647 63.5893 32.2538 175.1995 74 K 4.4337 8.8249 125.5662 55.1347 34.9473 176.0874 75 N 3.8543 9.3448 117.2078 54.0589 36.0613 174.1734 76 A 3.5595 8.0359 117.0024 53.4871 15.8533 178.7946 77 D 4.7807 7.5357 120.1609 54.5592 41.7826 175.1644 78 Y 4.2748 8.3107 124.8140 60.4472 38.4352 177.3453 79 E 4.1203 8.3759 119.4481 59.4298 29.7513 179.2903 80 R 4.1557 8.2447 115.8920 58.5314 29.6502 178.6805 81 F 3.9895 8.0593 121.5249 61.1690 39.4956 176.8644 82 K 3.6694 8.3377 119.2762 59.6395 31.7284 178.8986 83 S 4.0602 7.9544 114.4231 61.6449 63.0356 175.5117 84 Y 4.0441 7.6382 122.0673 60.8383 38.2653 178.0469 85 I 2.9674 7.1750 120.3782 64.5971 37.0391 178.2261 86 Q 4.0197 7.5664 116.8117 57.9379 28.6222 177.7431 87 T 4.0837 7.4906 109.4237 61.6089 69.6322 174.3455 88 L 4.5503 6.6609 121.9945 52.3994 43.8458 174.4405 89 P 4.4431 0.0000 0.0000 63.2225 32.7920 176.1991 90 N 4.0839 8.5865 114.3339 53.8759 35.6800 174.2216 91 I 4.1936 6.8622 119.4987 60.2033 36.6045 175.4613 92 E 4.1901 8.6139 128.1906 58.6607 29.8542 176.6496 93 F 4.9326 7.1610 112.2299 55.5616 42.0960 173.1637 94 C 4.9898 8.2378 119.3067 58.6254 33.7787 172.2293 95 Y 4.9623 9.4026 125.3719 56.2876 40.0937 175.2310 96 R 4.3816 8.9385 124.9105 55.8766 30.6851 175.2512 97 I 4.6687 8.5383 119.5936 58.9821 41.1542 174.9105 98 A 4.5619 8.5647 125.5505 51.2634 20.1178 177.2121 99 G 4.0865 7.7966 113.3144 47.3633 0.0000 173.0865 100 A 4.1797 8.6559 123.3201 53.4427 19.5819 177.4705 101 A 4.5161 7.7102 117.7113 51.7959 20.4416 176.2521 102 C 4.4877 9.2510 116.4560 61.2704 30.2076 174.2262 103 Y 5.9987 7.6581 113.8659 55.7093 42.6525 174.1966 104 M 5.4920 9.1109 121.3607 53.6402 35.4233 174.6893 105 L 5.3059 9.3378 123.4537 53.7211 44.9945 175.0203 106 K 4.6045 7.2095 120.1968 54.3464 34.8358 174.3586 107 I 4.5940 8.0865 127.3267 59.1532 40.6050 173.6138 108 N 5.4644 8.6004 126.0915 51.7453 40.5198 174.0559 109 A 4.6386 9.0968 123.3748 50.1989 22.8694 177.0615 110 E 4.0165 9.1699 118.3069 58.9807 29.5462 177.8379 111 S 4.5495 7.3772 111.2963 56.4104 66.6559 175.7538 112 L 4.0626 8.3069 121.3079 57.8746 41.1594 179.3098 113 E 3.9190 8.2192 118.6264 59.3131 29.6552 178.6491 114 A 4.0219 7.8732 120.9297 54.8637 18.3370 179.8717 115 V 3.6258 7.4478 115.8537 66.1801 31.6285 177.8907 116 E 3.9817 8.4612 119.2284 59.3688 29.3751 178.4180 117 D 4.3909 8.4364 119.1865 57.3211 40.9316 178.5605 118 F 4.1522 8.3215 121.0400 61.3525 39.4332 177.1109 119 I 3.5030 8.0737 119.3560 64.4584 36.7523 177.7982 120 N 4.2685 7.9849 118.6122 57.3813 38.5979 177.9634 121 K 4.1296 8.1797 123.0373 58.9788 32.1874 180.0200 122 T 4.1816 7.4167 110.8125 64.1731 67.2427 176.4827 123 S 4.4670 8.0848 118.2451 60.2930 62.8274 174.1641 124 P 4.1601 0.0000 0.0000 66.1918 30.8570 177.3690 125 Y 4.3945 8.3069 115.5191 58.1865 38.0837 175.1506 126 A 4.8129 7.1140 118.1393 50.7831 22.7024 175.8568 127 Q 4.3147 8.8426 122.0844 56.1223 29.9962 175.5370 128 T 5.2515 8.4657 112.3419 59.8898 72.0165 173.1437 129 V 4.4489 8.7068 123.0763 61.4241 34.6839 174.1507 130 T 4.8999 8.5252 123.7403 62.1570 70.9823 173.0517 131 H 4.8152 9.2045 124.8108 53.6431 30.9425 174.2518 132 V 3.8561 8.2068 124.3399 62.7431 32.2144 175.4388 133 I 3.8070 8.5148 129.6400 61.2439 36.9633 176.1896 134 F 4.6236 8.6383 126.6268 60.0044 39.3233 175.3751 135 S 4.6499 7.4008 111.5413 57.9112 64.8869 174.0894 136 E 4.7640 8.4312 117.2447 54.4801 32.3040 174.8081 137 I 4.1293 8.1685 121.3189 60.1380 38.1856 175.1809 138 D 4.4998 8.7174 125.7898 54.4098 41.2074 175.4958 139 T 4.5140 8.5990 117.7050 61.8444 69.4864 174.7804 140 K 4.1854 7.9364 129.4070 55.1721 31.7511 180.6871 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 8.40 3.87 0.00 1.47 0.57 0.00 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.20 0.00 2 K 8.32 4.08 0.00 1.89 1.62 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.33 1.09 7.81 3 L 8.06 4.45 0.00 1.56 1.59 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 4 D 8.46 5.01 0.00 2.86 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 5 Q 8.65 3.95 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.94 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 6 I 7.78 3.75 1.86 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 1.63 0.42 0.91 0.00 0.00 7 D 8.21 4.36 0.00 2.96 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 8 L 7.75 3.99 0.00 1.91 1.73 0.91 0.61 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 9 N 8.33 4.36 0.00 2.75 2.86 0.00 0.00 7.02 6.77 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 10 I 7.89 3.69 2.08 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 1.53 0.84 0.94 0.00 0.00 11 I 7.74 3.66 2.01 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 1.51 0.80 0.90 0.00 0.00 12 E 8.37 3.94 0.00 2.26 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 2.34 2.38 0.00 13 E 8.27 4.06 0.00 2.17 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 2.58 2.50 0.00 14 L 8.29 4.24 0.00 1.62 1.84 1.08 1.03 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 15 K 8.68 4.16 0.00 1.86 1.88 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.54 7.81 16 K 7.80 4.41 0.00 1.87 1.73 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 17 D 8.25 4.57 0.00 2.72 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 18 S 8.63 4.69 0.00 4.46 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 0.00 19 R 8.77 4.07 0.00 2.07 2.02 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 20 L 7.19 4.14 0.00 1.74 1.65 0.94 0.86 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 21 S 9.54 4.44 0.00 3.98 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 22 M 8.64 4.16 0.00 2.05 2.16 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 2.69 2.54 0.00 23 R 7.85 3.96 0.00 1.82 1.93 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.28 0.00 24 E 7.98 4.18 0.00 2.03 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 2.33 2.32 0.00 25 L 8.15 4.06 0.00 1.85 1.91 0.94 0.82 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 26 G 8.32 3.81 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 0.00 0.00 0.00 27 R 7.81 3.95 0.00 1.85 1.97 0.00 3.26 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 28 K 7.77 4.16 0.00 1.92 1.85 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.72 7.81 29 I 7.78 4.13 1.87 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 1.54 0.58 0.92 0.00 0.00 30 K 8.77 3.79 0.00 1.96 1.98 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.54 7.81 31 L 7.03 4.70 0.00 1.65 1.49 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.42 4.50 0.00 4.05 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 33 P 0.00 4.21 0.00 2.18 2.14 0.00 3.60 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 2.11 2.14 0.00 34 P 0.00 4.46 0.00 2.26 2.32 0.00 3.63 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 2.07 2.06 0.00 35 S 7.69 4.10 0.00 4.12 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 36 V 7.79 3.59 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 1.14 0.00 0.00 1.03 0.00 0.00 37 T 8.35 3.85 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 1.27 0.00 0.00 38 E 8.20 3.98 0.00 2.16 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 2.32 2.41 0.00 39 R 7.91 3.98 0.00 2.05 1.96 0.00 3.31 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 40 V 8.22 3.68 2.13 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 1.15 0.00 0.00 1.03 0.00 0.00 41 R 8.15 4.03 0.00 1.85 1.95 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 42 Q 7.98 4.47 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.67 0.00 43 L 8.26 4.08 0.00 1.73 1.74 0.94 0.68 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 44 E 8.49 4.15 0.00 2.30 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 2.54 2.41 0.00 45 S 8.16 4.18 0.00 3.99 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 0.00 46 F 8.44 4.04 0.00 3.20 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 47 G 7.87 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 48 I 7.82 3.77 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 0.90 0.00 0.00 49 I 7.53 4.18 1.78 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 1.32 0.49 0.32 0.00 0.00 50 K 8.43 4.18 0.00 1.69 1.83 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.40 7.81 51 Q 7.19 4.39 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 52 Y 8.65 4.45 0.00 3.01 2.94 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 53 T 8.07 4.77 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 1.22 0.00 0.00 54 L 8.10 4.55 0.00 1.60 1.48 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.59 4.68 0.00 1.92 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 2.26 0.00 56 V 8.14 4.33 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 0.86 0.00 0.00 0.93 0.00 0.00 57 D 8.47 4.53 0.00 2.75 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 58 Q 8.56 3.99 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.64 0.00 0.00 0.00 0.00 0.00 2.43 2.32 0.00 59 K 8.08 3.88 0.00 1.82 1.93 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.54 7.81 60 K 7.69 4.12 0.00 1.91 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.58 7.81 61 L 7.50 4.31 0.00 1.80 1.67 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.48 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 63 L 7.90 4.99 0.00 1.63 1.55 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.38 0.00 2.18 2.17 0.00 3.92 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 65 V 7.66 4.37 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 0.75 0.00 0.00 0.90 0.00 0.00 66 S 8.47 5.18 0.00 3.72 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 67 C 8.78 5.17 0.00 2.73 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 68 I 8.88 4.74 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.09 1.06 0.00 0.00 69 V 9.10 4.89 2.22 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 1.26 0.00 0.00 1.01 0.00 0.00 70 E 9.32 5.21 0.00 2.00 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 2.39 2.34 0.00 71 A 9.16 5.20 1.20 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 0.00 0.00 72 T 8.85 4.54 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 1.22 0.00 0.00 73 V 8.42 3.97 1.72 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 0.16 0.00 0.00 0.70 0.00 0.00 74 K 8.82 4.43 0.00 1.69 1.62 0.00 2.06 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.35 7.81 75 N 9.34 3.85 0.00 2.82 2.86 0.00 0.00 6.91 7.35 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 76 A 8.04 3.56 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 77 D 7.54 4.78 0.00 2.91 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 78 Y 8.31 4.27 0.00 3.31 3.23 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 79 E 8.38 4.12 0.00 2.08 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 2.52 2.39 0.00 80 R 8.24 4.16 0.00 2.13 2.29 0.00 2.84 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.03 0.00 81 F 8.06 3.99 0.00 3.24 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 82 K 8.34 3.67 0.00 1.98 2.10 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.46 7.81 83 S 7.95 4.06 0.00 3.90 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 84 Y 7.64 4.04 0.00 1.96 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.18 2.97 1.46 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.26 0.61 0.00 0.00 86 Q 7.57 4.02 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 87 T 7.49 4.08 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 1.23 0.00 0.00 88 L 6.66 4.55 0.00 1.45 1.46 0.54 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.44 0.00 2.15 2.11 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 90 N 8.59 4.08 0.00 2.81 3.01 0.00 0.00 6.82 7.33 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 91 I 6.86 4.19 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.54 0.71 0.00 0.00 92 E 8.61 4.19 0.00 2.01 1.69 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 2.40 2.26 0.00 93 F 7.16 4.93 0.00 2.46 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 94 C 8.24 4.99 0.00 2.89 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 95 Y 9.40 4.96 0.00 3.10 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 96 R 8.94 4.38 0.00 1.90 1.88 0.00 2.61 0.00 0.00 2.77 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 97 I 8.54 4.67 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.95 0.00 0.00 98 A 8.56 4.56 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 99 G 7.80 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 0.00 0.00 0.00 100 A 8.66 4.18 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 0.00 101 A 7.71 4.52 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 0.00 102 C 9.25 4.49 0.00 2.92 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 0.00 103 Y 7.66 6.00 0.00 2.96 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 0.00 104 M 9.11 5.49 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 105 L 9.34 5.31 0.00 1.69 1.83 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.21 4.60 0.00 0.79 0.74 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 1.23 7.81 107 I 8.09 4.59 1.11 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.96 0.57 0.00 0.00 108 N 8.60 5.46 0.00 2.51 2.63 0.00 0.00 6.71 7.09 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 0.00 109 A 9.10 4.64 1.16 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 0.00 110 E 9.17 4.02 0.00 1.97 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 2.30 2.25 0.00 111 S 7.38 4.55 0.00 4.00 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 0.00 112 L 8.31 4.06 0.00 1.73 1.78 0.95 0.75 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 0.00 113 E 8.22 3.92 0.00 2.04 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 0.00 2.40 2.40 0.00 114 A 7.87 4.02 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 0.00 115 V 7.45 3.63 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 1.04 0.00 0.00 0.95 0.00 0.00 116 E 8.46 3.98 0.00 2.10 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 2.33 2.37 0.00 117 D 8.44 4.39 0.00 2.93 2.76 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 0.00 118 F 8.32 4.15 0.00 3.22 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 0.00 119 I 8.07 3.50 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.10 0.92 0.00 0.00 120 N 7.98 4.27 0.00 2.87 2.90 0.00 0.00 7.07 7.73 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 0.00 121 K 8.18 4.13 0.00 1.84 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.31 7.81 122 T 7.42 4.18 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 0.15 0.00 0.00 123 S 8.08 4.47 0.00 4.05 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 0.00 124 P 0.00 4.16 0.00 1.29 1.83 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 125 Y 8.31 4.39 0.00 3.17 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 0.00 126 A 7.11 4.81 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 0.00 127 Q 8.84 4.31 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 128 T 8.47 5.25 4.32 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 1.29 0.00 0.00 129 V 8.71 4.45 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 0.97 0.00 0.00 0.95 0.00 0.00 130 T 8.53 4.90 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 1.21 0.00 0.00 131 H 9.20 4.82 0.00 2.98 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 8.21 3.86 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 0.69 0.00 0.00 0.88 0.00 0.00 133 I 8.51 3.81 1.93 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 1.19 0.58 0.93 0.00 0.00 134 F 8.64 4.62 0.00 3.12 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 0.00 135 S 7.40 4.65 0.00 3.97 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 0.00 136 E 8.43 4.76 0.00 2.07 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 2.19 2.33 0.00 137 I 8.17 4.13 1.89 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 1.32 0.60 0.92 0.00 0.00 138 D 8.72 4.50 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.60 4.51 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 1.25 0.00 0.00 140 K 7.94 4.19 0.00 1.75 1.61 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.25 7.81