NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4918 8.1776 117.1047 58.1877 65.1084 175.7536 -1 S 4.3911 8.0935 116.1105 60.8600 62.6190 175.0571 0 G 3.5997 8.3399 110.4852 48.2829 0.0000 177.1801 1 N 4.2227 7.8290 121.3409 56.9929 37.7120 179.0669 2 W 4.6615 8.1139 120.8655 59.0091 29.0996 178.8984 3 I 3.6608 7.6817 120.5459 64.3677 36.5752 178.0274 4 D 4.1623 7.7130 119.3281 57.0803 40.5657 179.0373 5 V 3.5120 7.5717 118.3785 66.0860 31.5999 178.1876 6 R 3.8838 8.1003 118.4142 59.5344 29.9040 178.0735 7 Y 4.4230 8.3009 116.8149 61.0520 37.7031 178.1685 8 D 4.3762 8.1724 119.9229 57.3380 40.9558 178.6951 9 L 3.8404 7.8316 119.4988 57.8146 41.6433 179.4837 10 E 4.4488 8.2041 119.8458 58.7809 29.3411 179.5375 11 K 3.9517 8.0115 118.5399 59.5719 32.0454 179.3868 12 I 3.7832 8.0443 120.3346 64.3258 36.9767 178.2295 13 E 3.8701 7.9687 119.3781 59.5615 29.3361 179.6870 14 S 4.0857 7.8644 114.4555 61.4896 63.0381 176.5104 15 L 4.0212 8.2806 122.3602 57.8626 41.2744 179.1704 16 I 4.0662 7.7222 109.0669 62.0438 37.6533 177.4134 17 Q 4.2354 8.0197 120.6245 57.8119 28.5507 176.5471 18 S 4.8159 7.7766 114.0197 57.5689 63.4892 173.8372 19 I 4.5324 7.4686 120.4931 60.4432 40.3952 174.5875 20 H 4.3250 9.0102 125.5929 56.0700 30.0853 174.2365 21 I 4.4796 8.2914 127.6871 59.8425 38.9151 174.8462 22 D 4.9572 8.8330 126.0305 53.1902 39.9822 175.7309 23 T 4.5037 7.8172 116.1757 63.2219 70.5410 173.4758 24 T 4.8605 8.3392 119.9278 60.3212 69.8409 173.0013 25 L 4.7153 8.8246 127.0849 52.5453 46.5028 175.4041 26 Y 4.7260 8.9139 119.9432 59.1510 38.3153 176.0599 27 T 4.3602 9.0677 121.8399 61.8561 71.2870 174.0674 28 D 4.7271 8.3178 126.9214 52.9684 40.3296 175.6569 29 S 4.6896 8.6480 123.0436 60.0738 63.6021 175.3223 30 D 4.8172 7.5417 119.5160 52.3252 40.2793 182.3598 31 F 4.5480 7.7886 117.6409 58.4629 38.9815 174.7324 *32 H 5.0508 8.4743 117.8466 51.9242 31.9466 172.3797 33 P 4.2898 0.0000 0.0000 66.1399 31.4402 178.0228 34 S 4.3253 8.2946 112.7636 61.3311 63.1149 176.1551 35 C 5.3800 8.2335 117.6158 56.0746 41.4328 176.5653 36 K 4.0616 8.2693 121.6497 60.1291 32.5059 178.1200 37 V 3.8733 8.1785 119.0355 65.9356 31.6501 178.0475 38 T 3.8726 8.4473 115.4098 66.6077 68.4407 176.5207 39 A 4.0263 8.0408 122.6489 55.2738 18.3201 179.3525 40 M 3.9073 8.2048 116.7042 58.9704 32.2793 178.2375 41 N 4.3702 8.4241 116.5913 56.5061 38.6434 176.8189 42 C 4.3093 8.0119 117.6663 59.7517 40.0243 176.0565 43 F 3.9115 7.6627 118.2677 60.4452 38.4698 177.3177 44 L 4.3621 8.2035 118.8768 57.8266 41.3178 179.3975 45 L 4.0341 8.2206 120.2989 58.3296 42.1148 178.9378 46 E 4.0210 8.5007 118.2005 59.0430 29.2964 179.2358 47 L 4.2305 8.1008 122.0028 58.4871 41.7186 179.8612 48 Q 4.0853 7.9796 120.7465 60.1638 27.8463 181.8036 49 V 3.7470 7.7401 118.3077 66.3201 31.6566 178.1842 50 I 3.7056 7.6950 119.5554 64.4493 36.7177 178.3800 51 L 4.0477 7.9028 118.1204 57.9955 41.4822 178.4979 52 H 4.3330 7.8330 116.9092 58.4311 29.9940 176.3459 53 E 4.0661 7.9343 118.2715 56.0593 30.0582 175.8498 54 Y 4.7342 7.2913 115.9519 56.1544 41.2748 175.4867 55 S 4.5224 8.6480 116.6710 58.1987 64.2472 174.1637 56 N 4.2467 8.1947 119.8709 54.0283 39.0638 174.2891 57 M 3.9622 8.8529 125.2527 59.5081 32.2547 178.2913 58 T 3.8998 7.8421 114.8879 66.3013 68.6121 176.3482 59 L 3.9488 7.8731 121.8016 58.2199 42.1958 178.5354 60 N 4.3163 8.3093 116.3692 56.5945 38.5407 177.2274 61 E 3.9931 8.2922 119.7752 59.7315 29.5564 179.7505 62 T 3.9067 8.1203 115.7936 66.7498 68.5730 177.4150 63 V 3.6951 8.0716 114.5989 64.3091 31.4560 178.6585 64 R 3.6098 8.0998 118.6741 59.1833 29.7392 178.0600 65 N 4.3104 8.1285 117.0213 56.5010 38.8416 177.1235 66 V 3.5445 7.5911 119.6335 65.7999 31.5953 177.9685 67 L 4.0009 7.7759 118.6730 58.0681 41.5292 178.8103 68 Y 4.4635 7.7123 116.7024 61.3489 37.8338 178.9310 69 L 3.8360 7.8465 120.3183 57.9936 42.1706 178.6707 70 A 3.5958 8.2696 121.0888 55.2799 18.3084 179.3217 71 N 4.3086 8.5377 115.3265 56.5131 38.5335 177.5061 72 S 4.0615 8.0101 114.4113 61.7466 62.2561 176.4948 73 T 3.7305 7.8845 118.3641 66.6543 67.9334 176.9037 74 L 4.2063 7.9844 119.7890 57.5110 41.6243 179.4467 75 S 4.3495 8.1780 115.2919 62.4636 62.6277 176.2472 76 S 4.2580 8.9767 123.5296 63.0227 63.0010 177.7779 77 N 4.9258 7.2937 123.6451 52.1553 36.1543 177.4090 78 K 4.7938 7.9062 126.3271 53.5106 34.7717 178.0186 79 N 5.1645 8.3599 121.1579 51.7970 39.6188 174.3112 80 V 3.9560 8.4275 113.5323 62.5506 31.9686 171.5370 81 A 4.8304 8.3011 117.8707 52.2125 21.3272 175.8735 82 E 4.6534 8.6062 121.4623 54.9801 30.4002 175.3516 83 S 4.6326 7.7400 113.8938 57.5497 66.2467 174.0661 84 G 3.8213 8.6958 106.7274 46.7358 0.0000 173.9725 85 C 4.8125 7.4366 116.2464 55.0657 41.9495 175.0294 86 K 4.4106 8.2962 124.5760 54.3781 32.3212 175.7041 87 E 4.3335 9.6345 120.0915 56.2587 30.5208 177.7473 88 C 4.0644 8.6447 118.6879 60.3393 40.3112 175.8508 89 E 2.6732 7.7318 115.9909 57.2969 28.9397 176.8872 90 E 4.4863 7.6358 116.2829 55.7955 29.8418 175.9007 91 L 4.4886 7.1586 119.1618 53.8193 43.2945 175.9508 92 E 4.4011 8.4124 121.0885 56.2382 31.1673 174.9995 93 E 4.8957 8.6865 123.9566 55.4526 30.9618 175.6008 94 K 4.9287 9.0427 122.8304 54.1870 36.8982 175.9587 95 T 4.3640 8.4187 111.0242 61.3863 69.5830 175.1061 96 F 4.5055 8.5259 123.2904 62.0068 39.2681 177.6479 97 T 3.7564 7.9994 114.8458 66.7875 68.4396 176.3012 98 E 4.2843 8.1802 120.2566 59.0247 29.4824 179.1159 99 F 4.3606 8.5781 121.1810 61.4639 39.4991 177.2213 100 L 4.0159 8.4593 119.0267 57.8053 41.3276 179.5191 101 Q 3.9817 8.0475 117.9440 59.2165 28.6226 179.1382 102 S 4.3119 8.1346 115.8954 61.2536 62.8757 176.5157 103 F 2.6796 7.9127 123.5213 60.9545 39.0423 177.2941 104 I 3.6453 8.1773 122.3315 64.8856 36.8239 179.3479 105 R 3.9799 7.8439 121.6247 61.4504 29.3063 181.0707 106 I 3.2801 7.4627 119.7443 63.5052 37.7783 178.2184 107 V 3.1273 7.5249 119.2078 65.6036 31.1723 177.8595 108 Q 3.9705 7.9150 119.6914 59.0971 29.0024 177.6635 109 M 4.0262 7.9997 119.3373 58.8429 32.0772 178.2537 110 F 3.7167 8.0664 116.5664 60.4048 39.0461 177.4747 111 I 4.0029 7.8035 119.5046 64.5359 36.7271 178.2964 112 N 4.5227 8.5092 116.7675 55.2662 38.2842 176.0092 113 T 4.4809 7.4647 110.9165 61.8924 69.2078 175.0518 114 S 4.4193 7.7981 124.1388 58.9932 62.3507 177.2150 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 S 8.18 4.49 0.00 3.67 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 -1 S 8.09 4.39 0.00 4.20 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 0 G 8.34 3.60 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 0.00 0.00 0.00 1 N 7.83 4.22 0.00 2.74 2.84 0.00 0.00 6.90 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 2 W 8.11 4.66 0.00 3.44 3.22 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 0.00 0.00 0.00 0.00 3 I 7.68 3.66 1.85 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 1.79 0.99 0.23 0.00 0.00 4 D 7.71 4.16 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.51 2.40 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 1.04 0.00 0.00 0.80 0.00 0.00 6 R 8.10 3.88 0.00 2.08 2.01 0.00 3.61 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 7 Y 8.30 4.42 0.00 3.13 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 8 D 8.17 4.38 0.00 2.88 2.68 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 9 L 7.83 3.84 0.00 1.67 1.45 -0.02 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.20 4.45 0.00 2.12 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 2.28 2.43 0.00 11 K 8.01 3.95 0.00 2.12 1.85 0.00 1.53 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.50 7.81 12 I 8.04 3.78 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 1.01 0.00 0.00 13 E 7.97 3.87 0.00 2.20 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 2.22 2.48 0.00 14 S 7.86 4.09 0.00 4.01 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 15 L 8.28 4.02 0.00 1.83 1.73 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.72 4.07 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.53 1.02 0.00 0.00 17 Q 8.02 4.24 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.43 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 18 S 7.78 4.82 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 19 I 7.47 4.53 1.80 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 1.29 0.82 0.80 0.00 0.00 20 H 9.01 4.33 0.00 3.10 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.29 4.48 1.91 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.13 0.94 0.00 0.00 22 D 8.83 4.96 0.00 2.75 2.68 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 23 T 7.82 4.50 4.11 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 1.09 0.00 0.00 24 T 8.34 4.86 4.21 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 1.18 0.00 0.00 25 L 8.82 4.72 0.00 1.08 1.13 -0.08 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.91 4.73 0.00 2.81 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 27 T 9.07 4.36 4.38 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 1.41 0.00 0.00 28 D 8.32 4.73 0.00 2.54 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 29 S 8.65 4.69 0.00 3.95 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 30 D 7.54 4.82 0.00 2.68 2.51 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 31 F 7.79 4.55 0.00 3.20 3.22 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 0.00 0.00 0.00 0.00 *32 H 8.47 5.05 0.00 2.79 2.89 0.00 7.22 0.00 0.00 0.00 0.00 6.81 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 4.29 0.00 2.01 2.12 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 2.02 2.13 0.00 34 S 8.29 4.33 0.00 3.87 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 35 C 8.23 5.38 0.00 3.00 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 36 K 8.27 4.06 0.00 2.07 2.21 0.00 0.61 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.60 1.41 7.81 37 V 8.18 3.87 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 1.21 0.00 0.00 1.08 0.00 0.00 38 T 8.45 3.87 4.41 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 1.22 0.00 0.00 39 A 8.04 4.03 1.57 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 40 M 8.20 3.91 0.00 2.20 1.74 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.21 0.00 41 N 8.42 4.37 0.00 3.10 2.89 0.00 0.00 7.09 7.20 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 42 C 8.01 4.31 0.00 2.97 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 43 F 7.66 3.91 0.00 2.46 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.20 4.36 0.00 1.91 1.84 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.22 4.03 0.00 1.91 1.91 0.95 0.91 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 46 E 8.50 4.02 0.00 2.43 1.79 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 2.55 2.62 0.00 47 L 8.10 4.23 0.00 2.06 1.88 1.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.98 4.09 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 49 V 7.74 3.75 2.11 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 0.82 0.00 0.00 0.87 0.00 0.00 50 I 7.69 3.71 1.96 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.80 0.00 0.00 51 L 7.90 4.05 0.00 1.83 1.75 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.83 4.33 0.00 3.11 3.40 0.00 5.94 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.93 4.07 0.00 1.39 1.35 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 2.16 2.49 0.00 54 Y 7.29 4.73 0.00 2.94 2.99 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 55 S 8.65 4.52 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 56 N 8.19 4.25 0.00 2.85 2.86 0.00 0.00 6.71 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 57 M 8.85 3.96 0.00 2.13 2.10 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 2.69 2.73 0.00 58 T 7.84 3.90 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 59 L 7.87 3.95 0.00 1.75 1.85 0.98 0.52 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 60 N 8.31 4.32 0.00 3.09 2.86 0.00 0.00 7.10 7.39 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 61 E 8.29 3.99 0.00 2.03 2.02 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 2.36 2.50 0.00 62 T 8.12 3.91 4.37 0.00 0.00 0.00 0.00 0.00 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 63 V 8.07 3.70 2.16 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 0.88 0.00 0.00 1.01 0.00 0.00 64 R 8.10 3.61 0.00 1.97 1.81 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.35 0.00 65 N 8.13 4.31 0.00 3.00 2.93 0.00 0.00 6.82 7.29 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 66 V 7.59 3.54 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 1.01 0.00 0.00 0.91 0.00 0.00 67 L 7.78 4.00 0.00 1.69 1.68 0.90 1.06 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 68 Y 7.71 4.46 0.00 3.12 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 69 L 7.85 3.84 0.00 1.80 1.55 0.86 1.22 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 70 A 8.27 3.60 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.54 4.31 0.00 2.84 2.94 0.00 0.00 6.72 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 72 S 8.01 4.06 0.00 3.91 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 73 T 7.88 3.73 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 74 L 7.98 4.21 0.00 1.85 1.87 1.07 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.18 4.35 0.00 3.94 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 76 S 8.98 4.26 0.00 3.70 3.58 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 77 N 7.29 4.93 0.00 2.72 2.67 0.00 0.00 6.99 7.29 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 78 K 7.91 4.79 0.00 1.76 1.61 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 0.98 7.81 79 N 8.36 5.16 0.00 2.68 2.48 0.00 0.00 6.60 7.67 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 80 V 8.43 3.96 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 0.88 0.00 0.00 0.93 0.00 0.00 81 A 8.30 4.83 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.61 4.65 0.00 1.99 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 2.26 2.31 0.00 83 S 7.74 4.63 0.00 3.93 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 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 85 C 7.44 4.81 0.00 2.94 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 86 K 8.30 4.41 0.00 1.77 1.60 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.03 7.81 87 E 9.63 4.33 0.00 1.86 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 2.28 2.37 0.00 88 C 8.64 4.06 0.00 2.77 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 89 E 7.73 2.67 0.00 1.74 1.82 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 2.26 2.19 0.00 90 E 7.64 4.49 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 2.41 2.18 0.00 91 L 7.16 4.49 0.00 1.77 1.66 0.83 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 92 E 8.41 4.40 0.00 2.10 1.87 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 2.42 2.39 0.00 93 E 8.69 4.90 0.00 1.85 1.76 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 1.87 2.27 0.00 94 K 9.04 4.93 0.00 1.77 1.78 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.60 7.81 95 T 8.42 4.36 4.33 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 1.26 0.00 0.00 96 F 8.53 4.51 0.00 3.23 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 97 T 8.00 3.76 4.28 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 1.21 0.00 0.00 98 E 8.18 4.28 0.00 2.08 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 2.38 2.37 0.00 99 F 8.58 4.36 0.00 3.32 3.39 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 0.00 100 L 8.46 4.02 0.00 1.69 1.54 0.34 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 8.05 3.98 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 102 S 8.13 4.31 0.00 4.27 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 0.00 103 F 7.91 2.68 0.00 2.69 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 0.00 104 I 8.18 3.65 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.87 0.00 0.00 105 R 7.84 3.98 0.00 1.84 1.94 0.00 3.27 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 1.56 1.51 0.00 106 I 7.46 3.28 0.56 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.57 0.12 0.00 0.00 107 V 7.52 3.13 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 1.02 0.00 0.00 0.83 0.00 0.00 108 Q 7.92 3.97 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 109 M 8.00 4.03 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 110 F 8.07 3.72 0.00 2.34 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 0.00 0.00 0.00 111 I 7.80 4.00 2.07 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 1.69 1.72 0.96 0.00 0.00 112 N 8.51 4.52 0.00 2.80 2.88 0.00 0.00 6.91 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 0.00 113 T 7.46 4.48 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 1.14 0.00 0.00 114 S 7.80 4.42 0.00 3.61 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 * Residues marked with a * may have inaccurate shift predictions.