NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2128 8.2644 123.5866 51.4431 20.5052 176.5372 3 E 4.3966 7.8774 117.7708 51.5717 30.6276 172.6412 4 P 4.5582 0.0000 0.0000 62.7499 33.7897 175.5018 5 K 4.7618 8.6233 120.3926 56.2555 34.0656 175.5830 6 F 5.2166 8.7721 119.7944 56.1542 42.3065 174.7121 7 T 5.1062 8.7181 118.6258 61.9734 72.8229 172.9628 8 S 5.3138 9.0346 121.5229 56.7287 66.5205 173.1838 9 F 5.1178 9.3872 122.6371 56.2498 41.4531 174.2899 10 T 5.1706 8.8290 121.2163 62.2381 70.9628 173.6253 11 T 4.8919 8.9879 124.1689 62.1717 70.5722 173.6492 12 A 4.2906 8.8853 128.9183 49.8011 21.4706 174.2609 13 D 5.1521 8.3132 123.1173 52.4734 43.6095 175.0486 14 F 4.9973 9.0589 124.3896 55.5164 41.4724 175.8957 15 I 3.8957 8.6442 122.6600 64.3270 37.1213 175.4864 16 N 3.9353 7.3981 114.3968 51.1798 39.9631 173.6700 17 D 4.0142 7.3272 117.1535 57.1637 41.6542 177.2400 18 V 3.6503 7.7434 118.4668 66.2790 31.6612 178.1819 19 D 4.5683 8.3135 115.5549 55.4975 40.4658 178.0807 *21 E 4.2094 8.2335 121.2571 56.3895 31.7213 177.8621 22 L 3.9243 8.1570 120.2112 58.1368 42.0606 178.6471 23 F 4.2214 8.0324 120.3092 61.5061 39.2728 176.7837 24 I 3.5885 7.8827 118.6821 64.7672 36.8805 177.9144 25 D 4.3539 8.2918 119.1756 57.2498 40.6380 178.8473 26 A 3.9955 8.0388 121.2003 55.1153 18.2263 179.7081 27 V 3.5354 7.6900 115.7637 66.3383 31.5630 177.8022 28 E 4.1730 8.5370 118.5530 59.3379 29.0998 179.2757 29 K 3.9847 8.2275 119.0735 59.2859 32.6565 178.1368 30 T 4.3447 8.1099 107.8767 62.1130 69.1838 176.1884 31 A 2.5800 7.5430 124.6973 54.8482 18.0036 177.6520 32 P 3.9465 0.0000 0.0000 65.4576 31.6575 178.5217 33 V 3.8459 7.7180 117.1718 65.3925 31.5352 178.1802 34 W 4.6503 7.8034 116.3466 58.8210 28.3072 178.0463 35 V 3.5173 6.8762 118.9640 65.5048 31.1049 177.4599 36 K 4.0227 7.7819 118.8914 59.5205 32.1410 178.7276 37 E 4.1007 7.7056 114.5854 57.1276 28.9175 178.7756 *39 K 4.6379 8.2411 120.6879 56.5772 34.0007 178.2703 40 S 4.1220 8.1174 112.3576 60.8350 62.9769 175.2493 41 R 4.3411 7.8631 117.6329 55.8820 30.2174 177.1422 42 G 4.2263 8.2448 106.3186 46.5666 0.0000 173.1271 43 L 4.6527 8.0351 122.0879 54.8251 42.6607 177.4267 44 L 4.3062 9.2293 127.4400 57.4224 42.5004 177.3521 45 K 4.6342 7.6859 117.2898 55.2308 35.5526 174.1052 46 F 5.4466 8.8823 127.8355 56.8062 42.3335 174.5001 47 S 4.1222 7.2278 118.1400 57.2451 66.0473 172.0235 *49 N 4.5319 8.6774 115.3927 53.7679 40.0588 173.4267 50 R 4.8446 8.6426 124.4747 55.1311 31.3853 175.7024 51 V 3.9731 8.6204 127.8192 62.3885 31.6994 175.6604 52 W 4.7945 8.5108 123.3678 56.1814 29.5468 175.5760 53 N 4.8910 7.5958 115.4611 52.6266 36.8179 174.9097 54 K 4.4146 8.0142 115.8973 56.4455 33.3586 177.7930 55 G 3.8060 8.1150 106.2209 45.3201 0.0000 175.0591 56 E 4.0945 8.3008 114.6713 55.0870 28.0417 175.6993 57 V 4.0995 6.8995 112.8054 59.1625 35.6139 176.1237 58 F 4.8206 8.2363 119.9391 55.6721 40.7205 173.4914 59 R 5.2591 8.3373 122.6735 54.6190 33.7293 173.7080 60 V 4.9968 8.9638 118.6384 59.8087 35.6137 175.1472 61 V 5.1259 8.7813 123.8490 60.4759 34.6361 174.4455 *63 T 4.1662 8.1379 109.9698 61.6841 70.2855 172.3592 64 Y 4.9205 8.8024 123.4077 56.1978 40.9170 174.4523 65 E 4.6172 8.7451 124.9955 54.9321 31.7783 174.9673 66 Y 5.2741 8.6727 123.2237 56.2972 40.0560 177.1709 67 K 4.2942 8.9808 124.4144 59.6888 33.2319 176.0352 68 D 5.0083 7.7026 116.4598 52.2509 41.7527 176.1583 69 R 2.7907 8.3958 117.8402 59.3151 29.8257 178.1143 70 A 3.8960 7.9030 120.0472 55.0910 18.2305 179.7187 71 S 4.4778 8.4577 115.2490 61.0034 62.9011 176.2896 72 F 2.8252 7.7341 123.3200 61.0090 39.0066 176.6803 73 E 3.2246 7.9844 118.6078 59.1077 29.3694 178.7129 74 A 3.9008 7.7609 120.6089 55.2117 18.3438 179.3954 75 N 4.4258 8.1545 115.1608 56.1144 38.5375 177.7459 76 I 3.4636 7.4084 121.1941 64.2048 37.1077 178.0223 77 A 3.8851 7.6256 121.4232 55.4558 18.0091 179.0147 78 Y 3.9575 7.9328 117.7715 60.9544 38.8285 178.3913 79 L 3.9670 8.2140 119.9942 57.5652 41.5737 179.2034 80 E 3.8581 8.3732 118.9444 59.5467 29.2423 178.8926 81 D 4.2308 7.8014 117.5964 57.8804 41.0105 178.9082 82 T 3.6340 7.2637 114.4616 64.8756 68.7524 175.1740 83 F 4.4230 7.2594 116.4074 58.8785 41.2797 177.6869 84 G 3.6320 8.2392 108.0619 48.0199 0.0000 174.3629 85 K 4.3171 8.1810 117.3578 55.9090 32.2745 176.0894 86 N 4.8112 7.9707 119.3518 51.2792 40.1777 173.3534 87 P 4.2752 0.0000 0.0000 65.5096 31.3071 178.6343 88 V 3.5718 7.8208 117.2334 65.8463 31.9494 177.0882 89 F 4.3918 8.4366 120.2933 61.5817 38.9282 176.8964 90 L 3.7772 8.3085 118.6185 57.9967 41.1668 179.4543 91 Q 3.9348 7.9925 118.5224 58.8744 29.0235 177.4635 92 L 4.1440 7.5317 120.7386 57.1285 42.3293 177.8363 93 V 4.5243 7.0673 111.5234 60.9796 32.4588 177.8381 94 T 3.7991 8.2389 117.0176 65.1715 67.2177 174.5845 95 T 4.2660 7.7653 107.6620 61.5572 69.4844 174.3850 96 A 4.1305 7.6180 124.4309 51.7511 19.6714 177.0706 97 K 4.5429 8.2818 119.5161 54.5350 34.7234 175.4580 98 F 5.2698 8.8594 122.9472 55.9423 42.2071 174.7642 99 T 4.6939 9.0083 117.0561 61.0736 70.7496 172.3556 100 T 5.2526 8.7957 124.9684 61.9284 71.6798 173.5928 101 S 4.8234 9.5195 122.0306 57.0234 65.3394 173.1715 102 R 4.9353 8.7123 124.2069 54.9577 31.6163 175.7653 103 C 4.8895 8.8232 120.1311 57.9601 32.9481 172.8439 104 L 4.4047 8.1124 121.1384 53.1436 42.8810 176.5293 105 V 3.7502 8.3641 124.7529 62.9823 31.2956 176.1501 106 V 3.7867 8.5281 127.7353 63.9206 32.1260 175.4419 *108 E 4.1370 7.8551 116.5366 56.2877 30.5173 175.7788 109 V 3.9834 8.2023 120.5173 63.0917 31.9430 174.8558 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 2 A 8.26 4.21 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.88 4.40 0.00 2.00 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 2.22 2.51 0.00 4 P 0.00 4.56 0.00 2.03 2.12 0.00 3.85 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 2.23 2.02 0.00 5 K 8.62 4.76 0.00 1.79 1.97 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.79 1.54 7.81 6 F 8.77 5.22 0.00 3.15 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 7 T 8.72 5.11 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 0.64 0.00 0.00 8 S 9.03 5.31 0.00 3.99 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 9 F 9.39 5.12 0.00 2.96 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 10 T 8.83 5.17 4.61 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 1.54 0.00 0.00 11 T 8.99 4.89 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 1.16 0.00 0.00 12 A 8.89 4.29 0.51 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 0.00 0.00 0.00 13 D 8.31 5.15 0.00 2.55 2.26 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 14 F 9.06 5.00 0.00 3.05 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 15 I 8.64 3.90 2.04 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 1.49 0.75 0.93 0.00 0.00 16 N 7.40 3.94 0.00 2.39 2.58 0.00 0.00 5.96 8.06 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 17 D 7.33 4.01 0.00 2.27 2.54 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 0.00 0.00 0.00 18 V 7.74 3.65 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 0.99 0.00 0.00 0.87 0.00 0.00 19 D 8.31 4.57 0.00 2.94 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 *21 E 8.23 4.21 0.00 2.16 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 2.40 2.23 0.00 22 L 8.16 3.92 0.00 1.74 1.85 0.95 1.19 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 23 F 8.03 4.22 0.00 3.21 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 24 I 7.88 3.59 1.88 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 1.77 0.65 0.95 0.00 0.00 25 D 8.29 4.35 0.00 2.87 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 26 A 8.04 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.69 3.54 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 0.92 0.00 0.00 0.03 0.00 0.00 28 E 8.54 4.17 0.00 2.06 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 2.40 2.49 0.00 29 K 8.23 3.98 0.00 1.90 2.03 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.53 7.81 30 T 8.11 4.34 4.54 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 0.00 0.00 1.40 0.00 0.00 31 A 7.54 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 3.95 0.00 1.96 2.06 0.00 3.69 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 33 V 7.72 3.85 2.28 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 1.17 0.00 0.00 0.95 0.00 0.00 34 W 7.80 4.65 0.00 3.94 3.53 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 35 V 6.88 3.52 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 0.63 0.00 0.00 -0.46 0.00 0.00 36 K 7.78 4.02 0.00 1.86 1.88 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 37 E 7.71 4.10 0.00 1.75 1.12 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 2.46 2.52 0.00 *39 K 8.24 4.64 0.00 1.90 1.89 0.00 1.93 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.58 7.81 40 S 8.12 4.12 0.00 3.93 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 41 R 7.86 4.34 0.00 2.12 1.94 0.00 3.04 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.47 0.00 42 G 8.24 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 0.00 0.00 0.00 0.00 43 L 8.04 4.65 0.00 2.02 1.71 1.10 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 L 9.23 4.31 0.00 1.68 1.73 0.98 0.95 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 45 K 7.69 4.63 0.00 1.81 1.58 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 46 F 8.88 5.45 0.00 3.10 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 47 S 7.23 4.12 0.00 3.74 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 *49 N 8.68 4.53 0.00 2.83 2.87 0.00 0.00 6.45 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 50 R 8.64 4.84 0.00 1.89 1.93 0.00 3.58 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 51 V 8.62 3.97 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 0.67 0.00 0.00 0.89 0.00 0.00 52 W 8.51 4.79 0.00 3.44 3.11 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 53 N 7.60 4.89 0.00 2.52 1.80 0.00 0.00 5.89 7.13 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 54 K 8.01 4.41 0.00 1.63 1.73 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 1.22 7.81 55 G 8.11 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 56 E 8.30 4.09 0.00 1.90 1.81 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 2.26 2.26 0.00 57 V 6.90 4.10 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 0.72 0.00 0.00 0.87 0.00 0.00 58 F 8.24 4.82 0.00 3.27 3.06 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 0.00 0.00 0.00 0.00 59 R 8.34 5.26 0.00 1.93 1.70 0.00 3.06 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 60 V 8.96 5.00 2.29 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 0.84 0.00 0.00 1.24 0.00 0.00 61 V 8.78 5.13 2.10 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 1.01 0.00 0.00 0.92 0.00 0.00 *63 T 8.14 4.17 4.07 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 0.00 0.00 1.35 0.00 0.00 64 Y 8.80 4.92 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.62 0.00 1.97 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 2.14 2.13 0.00 66 Y 8.67 5.27 0.00 3.25 2.96 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 0.00 0.00 0.00 67 K 8.98 4.29 0.00 1.88 1.95 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.45 7.81 68 D 7.70 5.01 0.00 2.95 2.82 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 69 R 8.40 2.79 0.00 1.77 1.87 0.00 3.25 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 70 A 7.90 3.90 1.28 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 71 S 8.46 4.48 0.00 4.11 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 F 7.73 2.83 0.00 2.67 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 73 E 7.98 3.22 0.00 1.87 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 2.13 2.14 0.00 74 A 7.76 3.90 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.15 4.43 0.00 2.64 3.00 0.00 0.00 7.01 7.50 0.00 0.00 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 I 7.41 3.46 1.53 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.43 0.72 0.00 0.00 77 A 7.63 3.89 1.31 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 78 Y 7.93 3.96 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 79 L 8.21 3.97 0.00 1.81 1.66 0.71 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.37 3.86 0.00 2.07 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 2.27 2.41 0.00 81 D 7.80 4.23 0.00 2.55 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 82 T 7.26 3.63 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 0.14 0.00 0.00 83 F 7.26 4.42 0.00 2.77 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 0.00 0.00 0.00 84 G 8.24 3.63 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 85 K 8.18 4.32 0.00 2.00 1.78 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.22 7.81 86 N 7.97 4.81 0.00 2.75 2.88 0.00 0.00 6.97 7.24 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 87 P 0.00 4.28 0.00 2.32 2.30 0.00 3.76 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 2.08 2.02 0.00 88 V 7.82 3.57 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 0.91 0.00 0.00 0.96 0.00 0.00 89 F 8.44 4.39 0.00 3.34 3.28 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 90 L 8.31 3.78 0.00 2.05 1.70 1.16 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.99 3.93 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 92 L 7.53 4.14 0.00 1.67 1.66 0.98 1.12 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 93 V 7.07 4.52 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 0.86 0.00 0.00 0.50 0.00 0.00 94 T 8.24 3.80 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 1.25 0.00 0.00 95 T 7.77 4.27 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 96 A 7.62 4.13 0.72 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 0.00 0.00 97 K 8.28 4.54 0.00 1.52 1.59 0.00 1.52 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.37 7.81 98 F 8.86 5.27 0.00 2.78 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 99 T 9.01 4.69 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 1.28 0.00 0.00 100 T 8.80 5.25 4.35 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 1.39 0.00 0.00 101 S 9.52 4.82 0.00 3.91 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 0.00 102 R 8.71 4.94 0.00 1.74 1.80 0.00 3.36 0.00 0.00 3.69 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.77 0.00 103 C 8.82 4.89 0.00 3.01 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 0.00 104 L 8.11 4.40 0.00 1.32 1.32 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.36 3.75 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 0.70 0.00 0.00 0.95 0.00 0.00 106 V 8.53 3.79 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 0.87 0.00 0.00 0.95 0.00 0.00 *108 E 7.86 4.14 0.00 2.16 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 2.19 2.32 0.00 109 V 8.20 3.98 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 0.82 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.