NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.3463 8.2549 119.0777 54.8705 31.3302 175.0799 6 P 4.3652 0.0000 0.0000 61.9590 32.0919 176.1508 7 F 4.0981 10.7125 127.1839 61.7498 39.9075 177.4441 8 K 4.0190 8.3052 118.8212 59.7438 31.9903 178.9940 9 Q 4.2560 8.0077 118.7156 58.1575 28.4243 180.2557 10 R 4.5274 7.5736 116.4318 56.7497 31.2069 176.6219 11 R 4.5505 6.8511 116.4435 53.0946 34.2598 175.5374 12 S 4.3529 8.6844 117.1333 57.9560 65.3088 175.0365 13 F 3.9530 9.0312 125.5230 61.7529 39.0462 177.6671 14 A 4.0227 8.1888 119.5433 55.4936 18.3565 178.9590 15 D 4.3844 8.4303 117.6606 57.7123 40.8717 179.6998 16 R 4.1580 8.1584 118.2474 59.5413 30.2539 178.4379 17 C 4.0237 7.5734 117.8137 62.0539 28.0732 176.2596 18 K 3.9401 7.9594 122.7486 60.1391 31.7348 179.0439 19 E 4.0043 8.1678 118.4440 61.3442 29.6007 180.9232 20 V 3.4308 7.6932 121.9765 66.3995 31.3743 178.8699 21 Q 4.0007 8.1896 122.6450 60.9431 28.0286 180.8418 22 Q 4.1947 8.2660 123.3356 59.9933 27.7831 180.7350 23 I 3.9116 8.4934 124.2227 64.9377 36.9721 179.0726 24 R 4.2874 7.9940 122.7313 62.5599 29.2801 180.8292 25 D 4.6954 8.5937 120.6640 57.4031 39.8799 179.5402 26 Q 4.5830 7.9715 116.3128 56.6485 31.2669 175.8400 27 H 4.9823 8.9213 117.4021 53.3253 29.1273 172.1780 28 P 4.3485 0.0000 0.0000 64.8548 32.2016 178.4507 29 S 4.3934 8.0515 112.5156 58.8040 63.6083 173.0612 30 K 5.0250 7.6091 121.0571 54.8068 34.2096 175.8266 31 I 3.8272 8.5557 126.0069 59.8051 38.8604 173.3528 32 P 4.9269 0.0000 0.0000 62.4134 32.5311 174.9607 33 V 4.8652 9.1819 125.7598 60.9658 34.4377 174.0892 34 I 4.6705 8.7253 129.0201 59.8159 38.8000 174.6181 35 I 5.1349 9.0266 128.1119 59.6631 40.3498 174.6613 36 E 4.7523 9.0631 124.9397 54.6498 34.7391 174.2771 37 R 3.1309 8.1898 121.4237 55.4208 31.2351 175.3530 38 Y 4.0415 8.3393 129.4158 58.8415 39.3179 177.8938 39 K 3.8114 8.4719 127.8877 57.6746 31.7918 176.3608 40 G 4.1906 7.7994 105.9364 45.1301 0.0000 173.0592 41 E 4.3022 8.3126 123.2652 56.1024 30.6084 176.9324 42 K 4.2505 8.7184 126.7078 57.1736 34.2601 178.1869 43 Q 4.4778 8.1051 113.9787 55.5581 28.0657 177.6713 44 L 4.9091 7.5669 117.6890 53.1338 45.3058 174.7914 45 P 4.5586 0.0000 0.0000 61.9694 32.3361 176.1715 46 V 3.8777 8.2202 120.2087 62.9799 31.2649 175.8039 47 L 4.5102 8.3451 128.5278 54.4358 42.7017 178.4483 48 D 4.5524 8.6839 119.8175 54.9923 40.1257 177.3601 49 K 4.6020 7.3866 115.8574 55.0176 34.0792 175.4627 50 T 4.9678 8.2558 114.0605 60.6905 71.9279 173.1657 51 K 4.5274 7.7994 123.4770 54.9575 33.3072 175.6872 52 F 4.7708 9.5222 126.6381 55.6001 42.2897 174.1112 53 L 5.0159 8.5998 123.3462 53.3591 43.3299 175.9877 54 V 4.3574 8.6589 124.0479 60.1675 34.2790 172.7827 55 P 4.5835 0.0000 0.0000 63.2997 31.7490 176.8957 56 D 4.5160 8.9491 124.0493 55.0597 39.6164 176.8847 57 H 4.4322 8.0279 114.6951 57.0744 29.3920 175.7445 58 V 3.9010 7.1842 114.8539 60.4977 32.6006 173.8609 59 N 5.5552 8.0337 117.2239 50.6371 40.2422 174.9404 60 M 4.0165 8.8598 119.8405 59.5025 31.7422 179.7370 61 S 4.1836 8.5447 121.3948 63.9433 62.2286 180.0524 62 E 4.1321 8.4102 120.8908 61.2053 29.5937 181.8890 63 L 4.0941 7.9140 119.8222 57.8542 41.7610 179.5054 64 V 3.7251 8.0481 120.3408 67.0106 31.1730 178.8762 65 K 4.0855 8.1500 123.0143 59.7987 31.5287 181.0762 66 I 3.9396 7.8831 121.1049 64.2889 36.9786 178.6758 67 I 3.5439 7.8449 120.6178 64.2193 36.9364 178.3236 68 R 3.6574 8.0862 121.5172 60.1321 29.9574 179.7391 69 R 3.9127 7.5596 119.7802 61.6500 29.2077 181.0260 70 R 4.1656 7.8080 117.9202 58.8294 30.1954 178.7212 71 L 3.9540 8.2466 117.2123 55.0027 41.6859 177.0317 72 Q 3.6152 7.6788 116.8109 56.8465 26.4225 173.9348 73 L 4.8398 7.9352 116.3938 53.9278 42.5996 176.2650 74 N 5.0430 8.3357 117.2081 50.1844 39.7517 174.0334 75 P 4.1248 0.0000 0.0000 66.5320 31.3822 177.4081 76 T 3.8542 8.1718 114.8189 66.1966 68.7136 174.1562 77 Q 4.0991 8.7746 121.4587 55.1434 28.1375 174.9715 78 A 4.6317 8.4654 127.2685 51.5674 19.2946 176.1923 79 F 5.2340 8.7220 119.4129 55.8027 41.9374 174.3982 *80 F 4.4637 10.6105 119.5345 55.4447 40.3580 175.1985 81 L 5.1068 8.2010 126.1736 52.6926 43.2623 175.0237 82 L 4.8858 8.9758 127.7018 53.1056 44.0536 176.0479 83 V 4.4238 8.4156 123.6612 62.6912 33.5248 175.3584 84 N 4.3872 9.6480 130.2157 55.8913 39.0136 176.1371 85 Q 4.3143 9.1000 109.9992 55.3199 28.2402 176.2362 86 H 4.3776 8.1164 110.3667 57.4528 26.8482 176.0533 87 S 4.4094 8.3576 115.2465 58.6264 63.4189 173.3162 88 M 4.7149 8.5544 125.4508 54.4541 33.3507 176.7459 89 V 4.4905 8.0726 122.2946 58.9521 35.3008 173.6816 90 S 4.3595 8.3499 116.9221 58.6996 62.7765 177.2557 91 V 3.8018 8.3184 116.9926 63.5790 31.6491 178.7689 92 S 4.1184 7.9542 113.3160 60.6436 63.4206 174.7411 93 T 3.9749 7.8085 120.0619 62.5321 68.6534 172.0972 94 P 4.6970 0.0000 0.0000 62.6328 32.7799 177.3084 95 I 3.6388 8.5088 120.1651 64.2699 38.0174 178.3246 96 A 4.5386 7.9734 121.3054 55.0182 18.2330 179.2029 97 D 4.3222 8.0565 116.9574 57.6276 41.1756 178.7991 98 I 3.7026 7.9333 120.4252 64.6958 37.1173 177.4180 99 Y 4.2126 9.4026 120.4751 61.0878 38.3368 177.9230 100 E 3.8592 8.2146 120.7073 60.4211 29.8317 180.1138 101 Q 4.2516 7.9449 118.6383 59.1479 28.3259 178.2579 102 E 4.8914 7.8285 113.2688 55.7080 32.2559 175.9891 103 K 4.1857 7.6555 119.0359 56.4164 33.3797 176.4608 104 D 4.6618 9.2370 123.8075 54.4583 41.8808 177.5750 105 E 4.1763 8.9488 118.9102 58.4658 29.9530 177.5553 106 D 4.3877 8.5820 114.9938 53.4523 39.9476 177.4543 107 G 3.9899 8.1456 108.8736 45.5300 0.0000 174.1945 108 F 4.6865 8.1696 117.6821 56.9508 41.0630 174.2522 109 L 5.0878 8.7005 122.1058 53.7688 44.4372 174.4616 110 Y 5.0800 8.7767 123.8727 56.9688 40.1854 174.6662 111 M 5.4844 9.4682 122.6769 53.9248 37.2150 174.5748 112 V 5.8129 9.1906 112.7606 59.1247 36.6302 174.0553 113 Y 5.6086 8.0718 121.2008 55.7604 40.6473 174.2687 114 A 5.5713 9.3689 122.5684 51.4841 23.6720 174.1214 115 S 4.8446 8.4099 112.9048 57.2378 66.3713 173.9245 116 Q 4.0989 8.6856 118.8452 56.1844 27.9323 173.6890 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 5 R 8.25 4.35 0.00 1.85 1.79 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 6 P 0.00 4.37 0.00 2.25 2.04 0.00 3.59 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 7 F 10.71 4.10 0.00 3.17 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 8 K 8.31 4.02 0.00 1.73 1.83 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.48 1.38 7.81 9 Q 8.01 4.26 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 10 R 7.57 4.53 0.00 1.67 1.92 0.00 3.10 0.00 0.00 3.46 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 11 R 6.85 4.55 0.00 1.23 1.58 0.00 3.37 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 0.00 12 S 8.68 4.35 0.00 4.10 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 13 F 9.03 3.95 0.00 3.20 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 14 A 8.19 4.02 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 15 D 8.43 4.38 0.00 2.91 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 16 R 8.16 4.16 0.00 2.00 2.43 0.00 3.74 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 17 C 7.57 4.02 0.00 3.02 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 18 K 7.96 3.94 0.00 1.91 1.98 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.33 7.81 19 E 8.17 4.00 0.00 2.04 1.95 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 2.25 2.20 0.00 20 V 7.69 3.43 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 0.85 0.00 0.00 0.01 0.00 0.00 21 Q 8.19 4.00 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 22 Q 8.27 4.19 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 23 I 8.49 3.91 2.01 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 1.39 0.68 0.84 0.00 0.00 24 R 7.99 4.29 0.00 1.89 1.87 0.00 3.26 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 25 D 8.59 4.70 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.97 4.58 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.18 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 27 H 8.92 4.98 0.00 2.95 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.35 0.00 2.16 2.28 0.00 3.77 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 1.98 1.94 0.00 29 S 8.05 4.39 0.00 4.02 4.13 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 30 K 7.61 5.03 0.00 1.63 1.70 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.49 7.81 31 I 8.56 3.83 1.79 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 1.24 0.81 0.51 0.00 0.00 32 P 0.00 4.93 0.00 1.87 2.03 0.00 3.00 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 2.02 1.68 0.00 33 V 9.18 4.87 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 0.83 0.00 0.00 0.94 0.00 0.00 34 I 8.73 4.67 1.15 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.75 0.00 0.00 35 I 9.03 5.13 1.80 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 1.16 0.85 1.04 0.00 0.00 36 E 9.06 4.75 0.00 1.91 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 2.30 2.33 0.00 37 R 8.19 3.13 0.00 1.43 1.66 0.00 3.36 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 38 Y 8.34 4.04 0.00 3.18 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 39 K 8.47 3.81 0.00 1.81 1.73 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.03 7.81 40 G 7.80 4.19 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 0.00 0.00 0.00 41 E 8.31 4.30 0.00 2.23 1.97 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 2.41 2.37 0.00 42 K 8.72 4.25 0.00 1.68 1.73 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 0.95 7.81 43 Q 8.11 4.48 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.67 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 44 L 7.57 4.91 0.00 1.69 1.66 1.02 0.97 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 45 P 0.00 4.56 0.00 2.20 2.06 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 46 V 8.22 3.88 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 0.89 0.00 0.00 0.99 0.00 0.00 47 L 8.35 4.51 0.00 2.02 1.66 0.94 0.90 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 48 D 8.68 4.55 0.00 2.70 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 49 K 7.39 4.60 0.00 1.55 1.60 0.00 1.38 0.00 0.00 1.11 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.37 0.96 7.81 50 T 8.26 4.97 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 1.35 0.00 0.00 51 K 7.80 4.53 0.00 1.57 1.61 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.24 7.81 52 F 9.52 4.77 0.00 3.04 2.89 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 53 L 8.60 5.02 0.00 1.51 1.57 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.66 4.36 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 0.85 0.00 0.00 0.97 0.00 0.00 55 P 0.00 4.58 0.00 2.03 2.08 0.00 3.63 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 2.13 2.14 0.00 56 D 8.95 4.52 0.00 2.76 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 57 H 8.03 4.43 0.00 3.29 3.46 0.00 5.52 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 58 V 7.18 3.90 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 0.54 0.00 0.00 0.92 0.00 0.00 59 N 8.03 5.56 0.00 3.06 2.92 0.00 0.00 5.92 7.66 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 60 M 8.86 4.02 0.00 2.01 2.34 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 61 S 8.54 4.18 0.00 3.72 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 62 E 8.41 4.13 0.00 1.96 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 2.24 2.22 0.00 63 L 7.91 4.09 0.00 1.80 1.72 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.05 3.73 2.18 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 0.93 0.00 0.00 0.81 0.00 0.00 65 K 8.15 4.09 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 66 I 7.88 3.94 1.83 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 1.54 0.70 0.99 0.00 0.00 67 I 7.84 3.54 1.98 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 1.68 1.05 0.62 0.00 0.00 68 R 8.09 3.66 0.00 2.01 1.95 0.00 3.23 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 69 R 7.56 3.91 0.00 1.76 1.94 0.00 3.27 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 1.56 1.55 0.00 70 R 7.81 4.17 0.00 1.75 2.03 0.00 3.50 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 71 L 8.25 3.95 0.00 1.37 1.41 -0.06 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.68 3.62 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 73 L 7.94 4.84 0.00 1.51 1.53 0.38 0.73 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 74 N 8.34 5.04 0.00 2.90 2.88 0.00 0.00 5.64 7.76 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 75 P 0.00 4.12 0.00 2.20 2.26 0.00 3.78 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 2.00 2.04 0.00 76 T 8.17 3.85 4.51 0.00 0.00 0.00 0.00 0.00 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 77 Q 8.77 4.10 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 78 A 8.47 4.63 1.26 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 0.00 0.00 0.00 79 F 8.72 5.23 0.00 3.19 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 *80 F 10.61 4.46 0.00 1.98 2.18 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 81 L 8.20 5.11 0.00 1.40 1.48 1.14 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.98 4.89 0.00 1.71 1.64 0.92 0.63 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 83 V 8.42 4.42 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 1.12 0.00 0.00 0.97 0.00 0.00 84 N 9.65 4.39 0.00 2.89 2.25 0.00 0.00 7.04 7.12 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 85 Q 9.10 4.31 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 86 H 8.12 4.38 0.00 3.36 3.48 0.00 5.67 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.36 4.41 0.00 4.04 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 88 M 8.55 4.71 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 89 V 8.07 4.49 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 0.74 0.00 0.00 0.93 0.00 0.00 90 S 8.35 4.36 0.00 3.65 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 91 V 8.32 3.80 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 0.68 0.00 0.00 0.91 0.00 0.00 92 S 7.95 4.12 0.00 3.97 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 93 T 7.81 3.97 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 1.22 0.00 0.00 94 P 0.00 4.70 0.00 2.27 2.18 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.03 0.00 95 I 8.51 3.64 1.86 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 1.45 1.22 0.88 0.00 0.00 96 A 7.97 4.54 1.41 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 97 D 8.06 4.32 0.00 2.99 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 98 I 7.93 3.70 2.06 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 1.43 1.23 0.97 0.00 0.00 99 Y 9.40 4.21 0.00 3.11 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 0.00 100 E 8.21 3.86 0.00 2.03 2.01 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 2.63 2.53 0.00 101 Q 7.94 4.25 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 102 E 7.83 4.89 0.00 2.05 1.97 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 2.25 2.39 0.00 103 K 7.66 4.19 0.00 1.75 1.19 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.60 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.13 1.17 7.81 104 D 9.24 4.66 0.00 3.15 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 0.00 105 E 8.95 4.18 0.00 2.01 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 0.00 2.27 2.14 0.00 106 D 8.58 4.39 0.00 2.51 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 0.00 107 G 8.15 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 0.00 108 F 8.17 4.69 0.00 2.94 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 0.00 109 L 8.70 5.09 0.00 2.10 1.65 1.03 1.23 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 0.00 110 Y 8.78 5.08 0.00 3.08 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 0.00 111 M 9.47 5.48 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 112 V 9.19 5.81 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 0.85 0.00 0.00 1.15 0.00 0.00 113 Y 8.07 5.61 0.00 3.39 3.29 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 0.00 114 A 9.37 5.57 0.94 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 0.00 115 S 8.41 4.84 0.00 3.91 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 0.00 116 Q 8.69 4.10 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.42 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.