NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 E 4.3438 8.4029 116.7535 56.1541 31.7621 176.3479 36 Q 4.2428 8.3859 113.3531 57.6516 30.2134 175.1236 37 I 3.7231 8.3312 117.0017 63.5640 35.8507 179.7756 38 V 4.3711 7.7275 119.2438 60.8501 31.2507 180.5345 39 K 4.5386 8.3733 127.9267 57.9929 32.0240 180.9886 *40 Y 4.7612 7.0491 116.6355 56.4169 36.3727 180.4428 41 A 4.4928 7.7403 125.9043 53.2936 20.3509 180.6954 42 R 3.9231 7.9368 119.0317 60.1663 29.6796 185.0000 43 K 4.0516 8.1333 119.0391 57.4532 31.5690 179.3455 44 G 3.7783 7.4075 108.8917 48.7294 0.0000 174.2885 45 L 4.8248 7.9274 121.1340 51.4568 41.6675 177.6591 46 T 4.0278 7.9105 125.0820 62.1805 73.9361 174.8173 47 P 4.5944 0.0000 0.0000 62.5462 29.7797 176.2756 48 S 4.5653 7.9823 110.8162 59.7599 64.7594 174.1481 49 Q 3.5246 8.3341 120.0135 55.1743 24.3064 178.6929 50 I 4.8463 6.8244 127.9809 58.8301 37.9415 175.4028 51 G 4.0138 7.5200 112.1956 46.1602 0.0000 171.8961 52 V 3.5151 8.1464 126.9662 62.2241 30.4734 171.7695 53 L 4.4690 7.1530 119.0498 54.9883 40.9714 180.1418 54 L 4.2887 7.7984 129.8262 56.4260 45.3397 178.1300 55 R 4.7983 8.5332 128.7146 58.1540 27.6601 177.7213 56 D 4.6437 8.6610 121.5060 52.8231 41.6340 176.5311 57 A 4.4191 9.1136 121.3741 53.1927 17.5037 179.8438 *58 H 4.5435 7.6860 118.2255 53.6572 29.1806 174.7981 59 G 4.0589 8.3345 107.1086 47.3084 0.0000 173.6729 60 V 4.2162 7.9856 119.4166 60.5870 33.1841 170.7309 61 T 4.2994 8.4180 118.6215 60.2743 73.3185 173.7740 62 Q 3.1832 9.0652 112.3085 57.2517 27.9338 176.0024 63 A 3.8324 9.4619 125.2877 52.9697 19.6825 180.1909 64 R 4.5800 8.4188 123.8732 56.3835 31.1922 175.8533 65 V 3.4092 7.8561 120.8557 62.0555 30.2965 175.4039 66 I 3.5107 8.5315 117.1805 68.1099 35.1125 174.4570 67 T 4.5705 7.8946 112.9922 64.3008 68.3766 180.2969 68 G 3.8228 8.7046 109.4744 48.4611 0.0000 175.9578 69 N 4.3046 9.0525 122.0005 57.0104 37.0909 180.0448 70 K 4.6388 6.5490 126.6284 62.3346 32.7202 180.6694 71 I 3.3545 7.3009 115.7173 61.6734 36.5107 178.4204 72 M 4.6496 7.9210 123.2625 57.4582 32.6615 180.8278 73 R 4.2987 8.1310 121.7969 62.5419 29.5485 184.7350 74 I 4.2661 7.9532 120.8363 66.4874 35.7939 182.5291 75 L 4.0451 8.3381 125.3736 55.3292 40.6156 185.0000 76 K 3.8951 9.3631 120.1232 56.3560 31.8058 180.8199 77 S 4.5872 9.3433 111.8574 60.2987 61.8549 175.9886 78 N 4.3417 8.8551 116.0583 52.4954 35.6659 177.1556 79 G 4.0704 6.6208 107.3500 47.6901 0.0000 173.2018 80 L 4.6682 8.8568 121.5010 53.9018 42.5905 170.2267 81 A 4.3219 8.5675 121.4386 54.7276 21.7129 174.1942 82 P 5.3136 0.0000 0.0000 64.1743 29.3554 171.9842 83 E 3.9169 7.4785 115.7982 60.9290 30.0677 180.9665 84 I 3.6073 7.1742 115.5754 58.3452 37.0771 175.3585 85 P 4.9640 0.0000 0.0000 62.7076 31.8467 173.5787 86 E 3.5908 7.8550 118.3257 58.2974 30.7397 178.8091 87 D 4.6466 8.4029 122.9928 55.6330 40.8358 180.2075 88 L 4.6293 7.8798 118.1883 57.0703 43.7532 184.0786 *89 Y 4.2871 8.2179 120.7251 61.3186 37.0172 179.0965 *90 Y 4.7457 7.7213 122.4581 61.9459 39.2184 183.6339 91 L 4.2681 7.8581 126.3546 60.1095 40.8879 181.8274 92 I 4.1405 8.3505 122.4426 65.2864 34.8595 179.9084 93 K 4.4747 8.1418 126.3153 59.5293 31.7375 184.3417 94 K 4.5281 8.0326 123.0488 60.1005 31.5219 180.6820 95 A 4.4373 8.0280 122.1530 54.8472 18.6288 180.1690 96 V 3.9240 9.2229 121.5330 66.2688 32.0325 184.4879 97 S 4.4536 8.1694 121.0916 63.8246 61.9006 179.4524 98 V 4.2005 7.6246 122.8943 65.8741 31.5681 180.9428 99 R 4.8030 7.9189 115.3561 56.5585 31.4701 183.6209 100 K 4.0927 8.9258 126.9349 61.8572 31.5767 184.0232 *101 H 4.3556 8.3444 122.4615 60.3916 27.5749 179.5683 102 L 4.0888 8.2111 127.2411 60.2933 40.2982 181.7916 103 E 4.2864 8.2336 120.3657 61.2230 29.7545 181.5196 104 R 4.5334 7.9362 122.7640 61.8130 30.3257 180.5835 105 N 4.3877 9.0126 123.1462 56.3579 37.3366 180.1676 106 R 4.4404 7.9650 120.0532 57.0372 28.6376 179.9042 107 K 4.3666 7.9338 118.3264 57.2869 33.5181 183.6758 108 D 4.8082 7.9481 120.4833 53.3257 37.7787 181.0062 109 K 3.6532 8.1738 128.6633 58.8558 32.2233 181.2669 110 D 4.8975 8.1405 113.2757 53.5311 39.2995 178.9897 111 A 4.6151 9.1402 128.5710 54.5157 21.5017 180.4352 112 K 4.0270 8.2634 122.6065 60.6745 31.6417 182.0553 *113 F 4.3997 8.1700 122.9304 61.4406 38.0751 178.9178 114 R 4.7651 7.8441 119.7032 60.9768 31.2501 183.8490 115 L 4.2674 8.1852 124.9257 59.6030 40.6455 182.2915 116 I 4.0692 7.9404 121.0200 65.8498 35.4706 184.2118 117 L 4.4247 7.7165 125.8538 60.0596 41.1249 181.8865 118 I 3.9744 8.5701 124.2326 65.7793 35.1509 179.8567 119 E 4.3795 7.9735 120.8515 61.4360 29.6352 183.7949 120 S 4.4015 9.4015 122.8186 64.4479 62.3288 179.5954 121 R 4.2133 8.5278 125.5378 62.0349 28.9622 182.7389 122 I 3.9700 8.0353 123.9747 65.8791 35.8250 180.4763 *123 H 4.6876 8.5763 120.9267 60.6292 27.9172 182.6410 124 R 4.2871 8.3229 125.4662 62.8555 29.4397 180.3284 125 L 4.1315 9.0044 122.2664 57.8435 40.5675 184.4994 126 A 3.3578 8.9411 117.3793 52.6473 21.2652 181.2916 127 R 3.6930 7.5182 112.9423 59.5493 30.7463 182.1575 *128 Y 4.3870 7.9643 115.8980 57.6867 35.9444 179.0307 *129 Y 4.8316 9.2576 122.4365 59.9199 42.4942 181.4259 130 R 4.2361 8.2000 120.6860 59.1585 29.4754 179.7904 131 T 4.6657 7.7989 108.1214 61.3484 69.5885 179.9383 132 V 4.4342 8.5339 122.0716 62.4087 40.3000 178.4402 133 A 4.1235 8.6398 127.1031 54.6749 19.5779 179.1736 134 V 4.1544 7.5361 115.4274 60.9419 33.8566 179.8508 135 L 3.7164 8.2779 128.1795 53.3797 41.4563 172.0623 136 P 5.0872 0.0000 0.0000 62.3581 33.3110 171.4472 137 P 4.6292 0.0000 0.0000 63.6089 35.5783 178.1748 138 N 4.5201 9.6646 113.2261 54.2464 38.4229 175.7202 *139 W 3.6281 8.5199 121.1330 58.8779 26.7995 177.3128 140 K 4.1844 8.0542 123.1284 57.2459 31.6793 179.7735 *141 Y 4.3300 8.0593 115.5234 59.0609 39.7974 182.4418 142 E 3.7841 8.2360 120.2840 55.4531 29.2288 177.5444 143 S 4.2064 8.4137 107.1217 59.9825 61.8856 172.0269 144 A 4.0132 7.8004 125.8832 55.8513 18.6886 179.3919 145 T 3.4024 8.4666 115.3667 60.3561 65.4227 167.8066 146 A 4.6089 7.1049 124.4435 53.4211 22.2209 177.6306 147 S 4.1978 8.4603 111.9959 57.1181 64.7307 175.9376 148 A 3.9804 8.9864 133.1437 52.5033 17.7626 176.9597 149 L 4.8431 8.1808 123.4566 54.4869 43.5953 174.1749 150 V 4.5865 8.1752 116.2598 62.4321 38.6906 175.0708 151 N 4.5723 8.3455 119.5188 53.0968 37.3058 178.7597 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 35 E 8.40 4.34 0.00 1.91 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 2.21 1.88 0.00 36 Q 8.39 4.24 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.26 1.99 0.00 37 I 8.33 3.72 1.87 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 1.27 1.10 0.91 0.00 0.00 38 V 7.73 4.37 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 0.69 0.00 0.00 0.93 0.00 0.00 39 K 8.37 4.54 0.00 1.66 1.85 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.37 1.22 7.81 *40 Y 7.05 4.76 0.00 2.48 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 0.00 0.00 0.00 41 A 7.74 4.49 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 42 R 7.94 3.92 0.00 1.94 1.95 0.00 3.31 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 43 K 8.13 4.05 0.00 1.77 1.78 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.06 7.81 44 G 7.41 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 0.00 0.00 0.00 45 L 7.93 4.82 0.00 1.62 1.44 0.92 0.78 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 46 T 7.91 4.03 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 47 P 0.00 4.59 0.00 2.13 2.33 0.00 3.67 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 1.78 1.50 0.00 48 S 7.98 4.57 0.00 3.56 3.67 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 49 Q 8.33 3.52 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.61 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 50 I 6.82 4.85 1.87 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 1.35 0.31 0.91 0.00 0.00 51 G 7.52 4.01 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 0.00 0.00 0.00 52 V 8.15 3.52 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 0.69 0.00 0.00 0.93 0.00 0.00 53 L 7.15 4.47 0.00 1.62 1.58 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.80 4.29 0.00 1.61 1.52 0.92 1.33 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 55 R 8.53 4.80 0.00 1.95 2.11 0.00 3.07 0.00 0.00 3.92 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.00 56 D 8.66 4.64 0.00 2.64 2.25 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 57 A 9.11 4.42 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 *58 H 7.69 4.54 0.00 2.94 2.93 0.00 7.15 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.33 4.06 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 0.00 0.00 0.00 60 V 7.99 4.22 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 0.75 0.00 0.00 0.93 0.00 0.00 61 T 8.42 4.30 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 62 Q 9.07 3.18 0.00 2.07 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.94 0.00 0.00 0.00 0.00 0.00 2.29 1.99 0.00 63 A 9.46 3.83 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 64 R 8.42 4.58 0.00 1.81 1.77 0.00 3.39 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 65 V 7.86 3.41 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 0.63 0.00 0.00 0.93 0.00 0.00 66 I 8.53 3.51 1.87 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 1.50 0.53 0.91 0.00 0.00 67 T 7.89 4.57 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 68 G 8.70 3.82 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 0.00 0.00 0.00 69 N 9.05 4.30 0.00 2.74 2.61 0.00 0.00 6.94 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 70 K 6.55 4.64 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.39 7.81 71 I 7.30 3.35 1.87 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 1.16 1.08 0.91 0.00 0.00 72 M 7.92 4.65 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.14 0.00 73 R 8.13 4.30 0.00 1.90 1.88 0.00 3.23 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 74 I 7.95 4.27 1.87 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 1.38 1.10 0.91 0.00 0.00 75 L 8.34 4.05 0.00 1.64 1.62 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.36 3.90 0.00 1.78 1.23 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.23 7.81 77 S 9.34 4.59 0.00 3.62 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 78 N 8.86 4.34 0.00 2.80 2.74 0.00 0.00 6.70 6.76 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 79 G 6.62 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 0.00 0.00 0.00 0.00 80 L 8.86 4.67 0.00 1.62 1.29 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.57 4.32 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 82 P 0.00 5.31 0.00 2.20 2.11 0.00 3.79 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 1.72 1.31 0.00 83 E 7.48 3.92 0.00 1.99 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 2.23 1.94 0.00 84 I 7.17 3.61 1.87 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 1.27 0.91 0.91 0.00 0.00 85 P 0.00 4.96 0.00 1.95 1.93 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.57 0.00 86 E 7.85 3.59 0.00 1.96 1.85 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 2.24 1.85 0.00 87 D 8.40 4.65 0.00 2.70 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 88 L 7.88 4.63 0.00 1.51 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 *89 Y 8.22 4.29 0.00 2.40 2.25 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 *90 Y 7.72 4.75 0.00 2.30 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 0.00 0.00 0.00 0.00 91 L 7.86 4.27 0.00 1.64 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.35 4.14 1.87 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 1.38 1.10 0.91 0.00 0.00 93 K 8.14 4.47 0.00 1.78 1.75 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.32 7.81 94 K 8.03 4.53 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.12 7.81 95 A 8.03 4.44 1.36 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 96 V 9.22 3.92 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 0.77 0.00 0.00 0.93 0.00 0.00 97 S 8.17 4.45 0.00 3.72 3.92 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 98 V 7.62 4.20 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 0.90 0.00 0.00 0.93 0.00 0.00 99 R 7.92 4.80 0.00 1.70 1.87 0.00 3.24 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 100 K 8.93 4.09 0.00 1.70 1.85 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *101 H 8.34 4.36 0.00 2.91 3.12 0.00 7.18 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.21 4.09 0.00 1.64 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.23 4.29 0.00 2.07 1.89 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 2.26 2.19 0.00 104 R 7.94 4.53 0.00 1.91 1.85 0.00 3.26 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 105 N 9.01 4.39 0.00 2.65 2.81 0.00 0.00 7.34 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 0.00 106 R 7.97 4.44 0.00 2.00 1.99 0.00 3.11 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 107 K 7.93 4.37 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.31 1.23 7.81 108 D 7.95 4.81 0.00 2.60 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 0.00 109 K 8.17 3.65 0.00 1.67 1.88 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.04 7.81 110 D 8.14 4.90 0.00 2.69 2.57 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 0.00 111 A 9.14 4.62 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 0.00 112 K 8.26 4.03 0.00 1.77 1.83 0.00 1.82 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.08 7.81 *113 F 8.17 4.40 0.00 2.36 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 0.00 114 R 7.84 4.77 0.00 1.77 1.91 0.00 3.23 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 1.52 1.21 0.00 115 L 8.19 4.27 0.00 1.64 1.72 0.92 0.83 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 0.00 116 I 7.94 4.07 1.87 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 1.38 0.54 0.91 0.00 0.00 117 L 7.72 4.42 0.00 1.65 1.69 0.92 0.87 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 0.00 118 I 8.57 3.97 1.87 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 1.38 0.53 0.91 0.00 0.00 119 E 7.97 4.38 0.00 1.80 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 2.24 2.19 0.00 120 S 9.40 4.40 0.00 3.64 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 0.00 121 R 8.53 4.21 0.00 1.80 1.92 0.00 3.27 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 122 I 8.04 3.97 1.87 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 1.38 1.09 0.91 0.00 0.00 *123 H 8.58 4.69 0.00 2.91 3.08 0.00 7.22 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.32 4.29 0.00 1.86 1.93 0.00 3.24 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 125 L 9.00 4.13 0.00 1.65 1.56 0.92 0.68 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 0.00 126 A 8.94 3.36 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 7.52 3.69 0.00 1.76 1.90 0.00 3.26 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 *128 Y 7.96 4.39 0.00 2.34 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 0.00 0.00 0.00 0.00 *129 Y 9.26 4.83 0.00 2.05 2.23 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 0.00 130 R 8.20 4.24 0.00 1.81 1.90 0.00 3.18 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 131 T 7.80 4.67 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 0.00 132 V 8.53 4.43 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 0.76 0.00 0.00 0.93 0.00 0.00 133 A 8.64 4.12 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 0.00 134 V 7.54 4.15 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 0.77 0.00 0.00 0.93 0.00 0.00 135 L 8.28 3.72 0.00 1.74 1.24 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 5.09 0.00 2.03 1.87 0.00 3.76 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 1.82 1.55 0.00 137 P 0.00 4.63 0.00 1.93 1.70 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.43 0.00 138 N 9.66 4.52 0.00 2.73 2.69 0.00 0.00 6.48 7.96 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 *139 W 8.52 3.63 0.00 2.68 2.25 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 0.00 140 K 8.05 4.18 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *141 Y 8.06 4.33 0.00 2.24 2.15 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 0.00 142 E 8.24 3.78 0.00 2.03 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 2.22 1.85 0.00 143 S 8.41 4.21 0.00 3.65 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 0.00 144 A 7.80 4.01 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 0.00 145 T 8.47 3.40 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 0.00 146 A 7.10 4.61 1.19 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 0.00 147 S 8.46 4.20 0.00 3.58 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 0.00 148 A 8.99 3.98 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.18 4.84 0.00 1.65 1.43 0.92 0.79 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 0.00 150 V 8.18 4.59 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 0.79 0.00 0.00 0.93 0.00 0.00 151 N 8.35 4.57 0.00 2.73 2.64 0.00 0.00 6.52 7.56 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 * Residues marked with a * may have inaccurate shift predictions.