NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 3.3280 8.1133 120.7237 56.3815 32.1759 177.5567 3 T 3.5424 7.5865 114.1920 65.5472 68.3967 174.6591 4 L 3.9515 8.5450 122.9970 58.3251 42.4166 178.4933 5 L 4.1506 7.7840 118.1364 57.9555 41.6428 179.4281 6 I 3.0220 7.6409 119.5669 64.2876 36.9112 178.7341 7 R 3.9469 8.1247 118.9281 59.3910 29.9167 178.2476 8 Y 2.9244 8.3461 119.6271 60.4419 38.5209 178.0174 9 I 3.1394 7.6183 119.8401 64.3836 37.6046 178.0680 10 L 3.5927 7.7625 119.4266 57.3780 41.4128 179.4623 11 W 4.2625 8.3104 128.4990 60.3934 30.8734 177.7447 12 R 3.1804 8.2567 118.0420 57.9256 29.1045 177.0827 13 N 5.0247 7.9801 117.4586 53.7803 39.4885 175.1688 14 D 4.7276 7.5072 116.0693 51.7858 41.0211 175.5123 15 N 3.4655 8.3755 116.9445 53.9350 38.3852 172.8412 16 D 4.5058 8.1366 116.3848 54.3145 41.5652 176.6927 17 Q 4.2795 9.2075 128.9016 59.5199 29.2243 178.5422 18 T 3.7439 8.3664 107.1787 64.0837 68.6869 174.3600 19 Y 4.7003 7.7238 117.9610 57.8032 38.2736 174.9928 20 Y 3.8885 8.0403 122.1379 57.0062 39.9982 174.0143 21 N 4.0055 5.7700 120.3530 50.8050 41.9254 175.0079 22 D 4.7203 8.1376 126.8852 56.4409 40.7026 178.7673 23 D 4.4727 8.9506 120.4825 57.0115 40.2001 178.3872 24 F 4.3324 7.9867 119.0681 60.2379 38.5205 176.9483 25 K 3.9463 7.6853 118.6493 60.0117 31.9618 178.2587 26 K 4.0547 7.5384 115.9011 59.1619 32.4520 180.2601 27 L 4.0420 7.3856 119.5736 54.2902 40.6753 179.2829 *29 L 4.3137 8.0652 120.1451 54.8692 43.7760 179.3703 30 L 4.0805 7.8852 118.1494 57.3004 41.3069 178.8678 31 D 4.4756 8.3455 118.9334 57.7831 40.4656 178.3837 32 E 3.9770 7.7952 117.6044 59.5277 29.6421 178.5174 33 L 4.1763 7.9182 115.4622 55.7119 41.7547 176.8332 34 V 4.3231 7.7083 119.5580 60.5487 33.1989 174.4088 35 D 4.4949 8.5845 127.0299 53.9799 41.7432 176.3029 36 D 4.6754 8.8393 125.9463 55.8156 40.6614 178.7624 37 G 3.5674 8.0701 108.7963 47.2667 0.0000 175.5704 38 D 4.3602 8.0529 121.6817 56.9233 40.8934 178.7806 39 V 3.5348 7.8296 117.9647 66.3005 31.4602 177.6050 40 S 4.0858 7.9934 112.5002 61.7962 62.0959 176.0704 41 T 3.8125 8.1497 118.4290 66.6902 68.0205 175.7203 42 L 3.8641 8.0811 121.1192 58.7387 42.1118 178.5948 43 I 3.7914 7.9588 118.7944 64.5015 37.1929 177.9419 44 K 4.1138 7.7926 118.9077 59.3827 32.2205 180.3091 45 N 4.5488 7.9834 115.9366 52.8391 39.0118 175.4930 *47 R 4.0224 8.0530 116.4475 56.4129 31.5874 177.4219 *49 T 4.0918 7.9265 107.0099 60.1130 71.1067 173.0853 50 L 3.5751 7.1012 121.0062 54.8168 39.3869 173.2997 51 S 4.4966 7.2076 109.2993 57.4436 65.8979 175.6026 52 D 4.1545 9.0821 121.2587 57.8864 41.2551 181.4547 53 G 3.0677 7.8209 98.4375 42.7531 0.0000 174.9182 54 P 4.2107 0.0000 0.0000 65.3609 32.2034 177.6782 55 L 3.9208 7.7582 118.1541 58.1568 41.8696 178.6899 56 L 3.9176 7.6468 117.7778 57.8202 41.7705 179.0562 57 D 4.4594 8.0549 118.7568 57.4592 40.8824 178.7746 58 R 4.0513 8.0225 119.1042 59.4462 29.8415 178.3548 59 L 4.1637 7.9797 117.4790 56.8098 41.7142 178.0718 60 N 4.6862 7.8583 114.7624 52.8078 39.0453 175.1812 61 Q 4.2199 7.1340 119.3025 55.0252 29.4848 174.3226 62 P 4.4706 0.0000 0.0000 62.3881 32.0466 176.8623 63 V 4.3087 8.0732 118.8498 61.8600 32.8779 174.6185 64 N 5.0059 9.9680 125.3180 52.8146 39.3229 174.8244 65 N 4.9341 7.3064 116.5476 51.7335 40.8838 174.9214 66 I 3.2279 8.2568 120.6075 63.9473 37.9409 177.6064 67 E 3.8654 8.1064 119.9474 59.0817 29.3382 177.9516 68 D 4.3079 8.7443 118.0809 57.4757 41.0183 178.3411 69 A 4.0603 7.2525 119.3106 55.4488 18.6169 179.2624 70 K 4.0403 8.2101 116.8128 59.6385 32.1056 180.1187 71 R 4.2200 7.9209 116.8755 56.7797 29.8480 178.2551 *73 I 4.1645 7.8055 119.3434 60.9257 39.4207 177.9269 74 A 4.0634 8.2728 121.9449 55.3803 18.2467 179.5344 75 I 3.6458 8.4032 117.3782 64.2513 37.9624 178.3489 76 S 4.1443 8.0748 115.4234 61.4530 62.8129 176.1705 77 A 3.7568 8.3382 123.8325 55.2026 18.0981 179.9264 78 K 3.9457 8.4292 117.3462 59.3016 32.0312 179.8568 79 V 3.5457 7.9401 118.3860 66.0452 31.6154 177.7228 80 A 4.2042 8.4687 120.9003 55.4414 17.7462 179.5637 81 R 4.2516 7.7194 118.2684 59.3460 30.1158 178.4946 82 D 4.4153 8.3497 117.7607 56.5740 40.9264 178.2688 83 I 3.8345 7.8968 119.6214 62.4347 38.3655 175.6268 84 G 4.1792 6.6865 106.5631 44.0912 0.0000 173.5721 85 E 4.4386 8.5375 121.4424 57.3537 30.0319 177.5471 86 R 4.1867 7.8548 115.2178 56.8071 30.5139 176.3992 87 S 4.2248 7.8451 115.2780 58.3751 62.7700 175.0056 88 E 4.2580 8.5239 126.6704 55.6088 27.1753 174.5872 89 I 4.0628 7.2932 121.3238 59.1054 39.5610 177.7577 90 R 4.2454 7.8921 126.1037 54.2474 28.1166 176.8294 91 W 3.9314 8.1070 123.7898 59.5336 29.3743 177.2844 92 E 4.2653 8.3764 118.0669 59.5595 28.8850 179.0791 93 E 4.0395 8.0138 118.0377 59.6218 29.5030 179.5238 94 S 4.0031 7.7662 114.5282 61.7225 62.8839 176.7394 95 F 4.0198 7.9081 120.4293 60.5374 38.3344 177.8648 96 T 3.9637 7.7272 114.7417 66.7076 68.7138 176.4818 97 I 3.8439 7.6892 121.4976 64.2964 36.9883 177.9147 98 L 3.9463 7.7716 120.0310 58.6979 42.1020 178.9908 99 F 4.9475 8.3744 117.5344 60.1515 38.5763 177.9502 100 R 4.0689 7.5309 114.4280 57.1800 29.8861 177.0882 *102 I 4.2694 7.6714 110.0586 59.4990 39.7918 176.5488 103 E 2.0000 8.3491 123.1773 59.6589 28.9635 178.7552 104 T 3.7876 7.6259 110.9809 64.5980 67.3288 174.5924 105 Y 4.5163 8.1320 117.6202 58.0375 37.7793 177.0157 106 F 4.6862 7.7804 119.4710 61.0698 39.1316 176.5620 107 D 4.6753 8.3407 117.1645 58.1258 41.0388 178.8838 108 D 4.6354 8.2052 118.2992 56.9792 40.7789 178.9422 109 L 4.3253 8.3057 118.2247 55.1419 41.0141 179.2374 *111 I 4.1025 7.6978 120.4492 61.5606 38.9215 177.7126 112 D 4.0947 8.4593 118.3853 56.6571 41.1776 177.0319 113 L 4.1225 7.9092 117.7129 55.5447 42.6880 175.3256 114 Y 4.6699 7.0324 114.0749 56.4511 41.3170 175.5354 *115 G 3.7274 8.6606 109.2420 46.6954 0.0000 172.7180 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 R 8.11 3.33 0.00 1.54 1.72 0.00 3.08 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 1.34 0.74 0.00 3 T 7.59 3.54 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 1.15 0.00 0.00 4 L 8.55 3.95 0.00 1.66 1.57 1.07 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.78 4.15 0.00 1.93 2.03 1.09 1.03 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 6 I 7.64 3.02 1.81 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 0.29 0.72 0.68 0.00 0.00 7 R 8.12 3.95 0.00 2.12 2.27 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.66 0.00 8 Y 8.35 2.92 0.00 2.52 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 9 I 7.62 3.14 1.96 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 1.75 1.21 0.53 0.00 0.00 10 L 7.76 3.59 0.00 1.78 1.55 0.88 0.25 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 11 W 8.31 4.26 0.00 3.64 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 12 R 8.26 3.18 0.00 1.42 1.50 0.00 3.02 0.00 0.00 2.98 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 13 N 7.98 5.02 0.00 2.38 2.59 0.00 0.00 6.98 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 14 D 7.51 4.73 0.00 2.78 2.69 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 0.00 0.00 0.00 15 N 8.38 3.47 0.00 2.57 2.84 0.00 0.00 7.08 8.38 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 16 D 8.14 4.51 0.00 3.06 3.04 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 0.00 0.00 0.00 17 Q 9.21 4.28 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 18 T 8.37 3.74 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 1.15 0.00 0.00 19 Y 7.72 4.70 0.00 3.32 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 20 Y 8.04 3.89 0.00 2.85 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 21 N 5.77 4.01 0.00 2.04 1.42 0.00 0.00 6.93 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.14 4.72 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.95 4.47 0.00 2.42 2.69 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 0.00 0.00 0.00 24 F 7.99 4.33 0.00 2.57 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 25 K 7.69 3.95 0.00 2.04 1.88 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.27 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.63 7.81 26 K 7.54 4.05 0.00 1.74 1.47 0.00 1.75 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.46 7.81 27 L 7.39 4.04 0.00 1.05 0.85 0.49 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 *29 L 8.07 4.31 0.00 2.04 1.74 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.89 4.08 0.00 1.86 1.77 0.93 0.90 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 31 D 8.35 4.48 0.00 2.82 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 32 E 7.80 3.98 0.00 1.89 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 0.00 2.37 2.44 0.00 33 L 7.92 4.18 0.00 1.64 1.72 0.99 0.69 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 34 V 7.71 4.32 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 0.78 0.00 0.00 0.98 0.00 0.00 35 D 8.58 4.49 0.00 2.80 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 36 D 8.84 4.68 0.00 2.81 2.69 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 0.00 0.00 0.00 37 G 8.07 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.36 0.00 2.79 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 39 V 7.83 3.53 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 1.07 0.00 0.00 0.99 0.00 0.00 40 S 7.99 4.09 0.00 4.01 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 41 T 8.15 3.81 4.43 0.00 0.00 0.00 0.00 0.00 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 42 L 8.08 3.86 0.00 1.77 1.90 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.96 3.79 2.02 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 1.58 0.91 0.90 0.00 0.00 44 K 7.79 4.11 0.00 1.85 2.02 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 45 N 7.98 4.55 0.00 2.82 2.80 0.00 0.00 7.09 7.54 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 *47 R 8.05 4.02 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 *49 T 7.93 4.09 4.20 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 1.25 0.00 0.00 50 L 7.10 3.58 0.00 1.89 1.70 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.21 4.50 0.00 3.84 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 52 D 9.08 4.15 0.00 2.67 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 53 G 7.82 3.07 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 0.00 0.00 0.00 0.00 54 P 0.00 4.21 0.00 2.12 2.11 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 55 L 7.76 3.92 0.00 1.68 1.74 0.92 0.50 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 56 L 7.65 3.92 0.00 1.81 1.67 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.05 4.46 0.00 2.86 2.69 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 0.00 0.00 0.00 58 R 8.02 4.05 0.00 1.84 1.92 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 59 L 7.98 4.16 0.00 1.77 1.70 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 60 N 7.86 4.69 0.00 2.91 2.85 0.00 0.00 7.00 7.30 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 61 Q 7.13 4.22 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 62 P 0.00 4.47 0.00 2.05 1.99 0.00 3.62 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 63 V 8.07 4.31 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 0.62 0.00 0.00 0.93 0.00 0.00 64 N 9.97 5.01 0.00 2.63 2.86 0.00 0.00 6.86 7.88 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 65 N 7.31 4.93 0.00 2.96 2.91 0.00 0.00 6.36 7.78 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 66 I 8.26 3.23 2.00 0.00 0.00 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 1.51 1.70 0.92 0.00 0.00 67 E 8.11 3.87 0.00 2.11 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 2.37 2.44 0.00 68 D 8.74 4.31 0.00 2.75 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 69 A 7.25 4.06 1.08 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 70 K 8.21 4.04 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 71 R 7.92 4.22 0.00 2.09 1.91 0.00 3.12 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 *73 I 7.81 4.16 2.14 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.13 0.00 0.00 74 A 8.27 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 3.65 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 1.53 1.21 0.96 0.00 0.00 76 S 8.07 4.14 0.00 4.14 3.96 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 77 A 8.34 3.76 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 78 K 8.43 3.95 0.00 1.80 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.47 7.81 79 V 7.94 3.55 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 1.13 0.00 0.00 1.02 0.00 0.00 80 A 8.47 4.20 1.11 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 0.00 0.00 81 R 7.72 4.25 0.00 1.83 2.05 0.00 3.09 0.00 0.00 3.21 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 82 D 8.35 4.42 0.00 2.64 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 83 I 7.90 3.83 2.00 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 1.42 0.62 1.10 0.00 0.00 84 G 6.69 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 0.00 0.00 0.00 85 E 8.54 4.44 0.00 2.03 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 2.29 2.28 0.00 86 R 7.85 4.19 0.00 1.85 1.96 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 87 S 7.85 4.22 0.00 3.89 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 88 E 8.52 4.26 0.00 1.91 1.86 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 2.29 2.32 0.00 89 I 7.29 4.06 0.78 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.28 -0.62 0.00 0.00 90 R 7.89 4.25 0.00 1.69 1.88 0.00 3.34 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.47 0.00 91 W 8.11 3.93 0.00 3.39 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 92 E 8.38 4.27 0.00 2.12 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 0.00 2.50 2.63 0.00 93 E 8.01 4.04 0.00 2.01 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 2.30 2.30 0.00 94 S 7.77 4.00 0.00 3.64 3.75 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 95 F 7.91 4.02 0.00 3.23 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 96 T 7.73 3.96 4.47 0.00 0.00 0.00 0.00 0.00 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 97 I 7.69 3.84 1.96 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 1.40 1.27 0.93 0.00 0.00 98 L 7.77 3.95 0.00 1.57 1.71 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 99 F 8.37 4.95 0.00 3.22 3.16 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 0.00 100 R 7.53 4.07 0.00 2.12 2.09 0.00 3.32 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 *102 I 7.67 4.27 2.05 0.00 0.00 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 1.87 1.31 1.00 0.00 0.00 103 E 8.35 2.00 0.00 2.03 1.80 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 2.11 1.92 0.00 104 T 7.63 3.79 4.10 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 0.00 0.00 0.00 0.88 0.00 0.00 105 Y 8.13 4.52 0.00 3.14 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 0.00 106 F 7.78 4.69 0.00 3.05 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 0.00 107 D 8.34 4.68 0.00 2.69 2.81 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 0.00 108 D 8.21 4.64 0.00 2.84 2.81 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 0.00 109 L 8.31 4.33 0.00 2.10 1.78 1.17 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *111 I 7.70 4.10 2.08 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 1.33 0.90 0.94 0.00 0.00 112 D 8.46 4.09 0.00 2.76 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 0.00 113 L 7.91 4.12 0.00 1.43 0.36 0.82 0.40 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 0.00 114 Y 7.03 4.67 0.00 2.77 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 *115 G 8.66 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.