NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7934 8.4093 117.7940 51.7918 40.0801 174.3047 4 T 4.7379 7.6313 107.0176 57.6824 71.6331 172.5273 5 T 4.4474 8.8852 114.7141 60.8071 72.5594 176.5548 6 Y 3.9291 8.5346 122.0301 61.0034 38.7594 178.4960 7 V 3.6675 7.9931 118.4513 66.1913 31.7829 177.7898 8 Q 4.0788 8.0805 117.6152 59.1768 28.5397 178.7733 9 E 4.1001 8.1450 119.4363 59.1781 29.3731 178.4421 10 Y 3.6225 7.9638 120.1211 61.2684 38.8185 178.3636 11 H 4.2553 8.4089 116.2956 58.3406 28.6043 177.7741 12 A 4.0039 7.8329 122.6356 55.2388 18.2452 179.7742 13 I 3.3716 7.4902 118.4124 64.2269 37.0392 178.8217 14 V 3.3905 7.5916 119.4973 65.6719 31.0119 177.6237 15 E 3.8703 7.7764 118.3565 59.1453 29.6083 178.7670 16 V 3.6507 7.4100 118.0914 66.1781 31.6783 178.1609 17 L 3.7851 8.1408 118.8865 57.4566 41.2217 179.3377 18 S 4.0846 8.4209 113.8725 61.3144 62.1296 176.4129 19 K 3.9615 7.8504 121.2152 59.4266 31.7753 178.6807 20 Y 4.1618 7.9112 119.2845 60.8131 38.8593 177.6591 21 N 4.1383 8.3272 117.3892 56.2440 38.6353 177.0439 22 E 4.0046 8.5319 121.1348 59.2742 29.6746 179.0307 23 G 3.6942 8.4476 106.2765 47.6773 0.0000 175.9718 24 G 3.4694 7.8433 107.9438 47.4978 0.0000 175.8750 25 K 4.0460 8.1826 122.4309 58.7101 32.0525 178.1973 26 K 4.2541 8.2179 115.7042 55.2957 33.1259 176.1466 27 A 3.7291 7.6696 121.4651 53.2117 16.7419 178.1337 28 D 4.7305 8.3479 120.6062 52.6801 43.0718 175.9220 29 S 4.1556 9.0864 123.0660 60.7678 63.3072 176.0988 30 T 3.8037 7.8033 111.1777 64.5258 68.5011 175.4095 31 I 3.8971 7.2837 119.8306 62.1273 36.9555 176.5329 *33 R 4.1383 8.0505 122.5632 55.8918 31.2445 175.8249 34 P 4.3400 0.0000 0.0000 65.2489 31.5486 177.1732 35 A 4.1238 8.1445 119.2153 53.4462 19.3761 176.8892 36 F 5.3666 8.0679 114.2089 55.3414 41.4777 176.0314 37 S 4.4811 9.0151 118.1981 58.2330 62.9716 175.4203 38 S 4.2698 8.9424 119.3956 60.9739 62.8436 174.9605 39 Q 4.3448 7.8530 118.0241 55.6675 29.0978 175.6333 40 A 5.0524 8.1602 121.3431 51.7033 19.8358 176.8826 41 T 4.9201 8.4142 108.6314 59.7412 72.8968 172.4049 42 I 5.3363 8.0842 122.3969 58.3059 41.3152 174.1803 43 F 5.3232 8.6141 126.0153 56.2948 43.7745 173.9432 44 G 3.5190 9.1026 108.0590 45.0926 0.0000 170.6203 45 V 4.9468 7.9948 119.1796 61.1248 33.7955 176.2400 46 D 4.8519 8.9666 128.1268 52.0523 41.4220 177.1956 47 V 3.6981 8.3523 117.5579 64.8106 31.3877 176.3041 48 D 4.6951 8.2370 118.4916 53.9703 40.6410 176.0297 49 N 4.2937 8.1008 114.1530 54.0963 36.7661 174.0959 50 K 4.5722 8.1059 117.7420 54.5087 34.4767 175.9386 51 L 4.4588 8.4897 125.4302 55.9879 42.6523 176.0733 52 T 4.5841 10.0867 120.7448 60.0859 70.5990 173.4555 53 G 3.5928 9.3433 115.0485 45.8399 0.0000 171.9877 54 G 3.6630 6.6686 110.5961 44.1159 0.0000 170.8565 55 P 4.5179 0.0000 0.0000 62.5726 32.1101 177.1505 56 I 3.1808 8.0472 120.9865 63.6412 37.5457 178.0349 57 Q 3.7701 7.8236 120.1435 59.0359 28.7762 178.3646 58 G 3.4412 7.8540 106.8341 47.3477 0.0000 175.5137 59 L 3.6174 7.3176 122.4036 58.0008 42.0520 178.9650 60 F 4.3706 7.3626 117.1844 60.7712 38.7337 177.2342 61 D 4.3106 8.3850 118.7521 57.3500 40.6479 178.9368 62 V 3.4743 7.4690 118.3925 66.0046 30.1692 178.1508 63 I 3.1661 7.5267 119.3703 64.4524 36.7380 178.2064 64 D 4.5807 8.1241 118.3668 56.4763 40.8085 177.6637 65 N 4.7691 8.3378 115.4305 53.3050 39.7928 175.7314 66 V 4.2126 7.6218 118.0713 64.2944 33.1031 176.3257 67 F 4.5076 7.6016 114.0062 57.8347 39.3438 174.1427 68 H 5.1611 8.6443 119.9101 53.0841 31.5761 172.5511 69 P 4.3826 0.0000 0.0000 63.6878 31.9009 177.0090 70 S 4.7386 9.3114 120.2390 55.3671 62.5115 172.7329 71 P 4.2346 0.0000 0.0000 65.5586 31.3174 178.1547 72 E 4.2163 8.0607 115.1058 56.3955 29.9135 176.3040 73 A 4.5343 7.6848 121.5255 51.8202 19.2293 177.4294 74 K 4.6612 9.1115 119.8095 54.6299 36.0277 175.4704 75 A 5.3990 8.8503 125.6633 50.1310 22.3295 175.2991 76 A 4.5242 9.1576 120.9555 50.4695 22.4063 175.9255 77 I 4.5653 8.6182 124.2459 60.2395 35.8099 175.4978 78 A 4.2528 8.7728 129.4662 54.7047 19.2085 177.9061 79 R 4.6890 7.7171 113.7621 55.4322 33.8617 174.0952 80 I 4.9953 8.5517 125.9426 59.8472 40.5489 174.1776 81 D 5.0609 9.3352 128.2119 52.8633 42.7791 175.7490 82 I 4.9419 8.6150 123.5939 59.4873 40.5443 175.3349 83 V 4.3239 8.8280 126.5218 61.5948 34.6132 176.9108 84 G 3.9346 8.8078 119.3360 47.2475 0.0000 173.6780 85 T 3.9500 8.8686 116.1420 61.6386 69.5002 173.4866 86 A 5.5757 8.3729 124.3583 50.7011 22.5153 175.0944 87 A 5.0642 8.9571 120.4768 50.8525 23.4424 175.2913 88 S 5.2636 9.1147 113.7113 56.5625 66.1027 172.8297 89 A 5.3033 9.4658 127.4655 50.2191 23.0759 174.4854 90 R 5.1226 9.1694 120.6637 54.6006 33.0769 174.6469 91 I 5.1341 8.8574 126.5613 59.7264 40.8726 173.9612 92 D 5.4848 9.0640 126.8755 53.0419 43.4928 175.6934 93 T 5.1845 8.9671 118.6715 62.1456 72.7122 172.6890 94 D 4.9410 9.3003 126.4996 53.0355 43.0660 176.1687 95 D 4.4735 8.2658 119.2815 55.7518 38.4213 174.5458 96 I 4.2776 7.8835 119.3142 59.8958 38.7802 175.0500 97 S 3.6753 9.9724 126.7638 59.4271 60.7458 174.1055 98 G 3.6358 8.3888 106.5991 45.0565 0.0000 173.5957 99 F 4.8063 7.9412 118.3607 55.4395 42.6916 174.2536 100 R 5.0714 8.1460 119.9843 54.6851 32.7755 174.3665 101 F 5.6798 9.2815 123.9066 56.1036 43.5912 173.8230 102 T 5.0902 9.0211 117.8308 62.0130 71.1372 172.9670 103 D 5.3756 9.4070 126.2195 52.4295 44.2203 175.1541 104 F 5.4839 8.8962 120.7424 55.7573 42.4372 174.2004 105 F 5.3483 9.6983 121.9141 55.7777 42.4528 173.7493 106 N 5.4440 9.1172 120.5522 51.7725 40.6336 174.0612 107 L 5.4442 9.2550 123.3779 53.0032 46.0323 175.5707 108 L 5.3611 8.9934 120.5809 53.0404 46.1866 176.0980 109 K 3.7406 8.2343 124.3317 54.9237 31.8357 175.2110 110 V 3.9970 8.4607 127.5028 61.7981 32.9669 175.8877 111 E 3.7154 9.6975 128.4373 57.5742 26.7372 175.7262 112 G 3.8692 8.1082 103.4203 45.3804 0.0000 173.0902 113 K 4.5884 7.6059 119.2296 53.9503 35.9270 175.8190 114 W 4.7508 8.8732 125.2232 57.0810 29.8838 175.5930 115 T 4.8064 9.2310 118.6304 60.3123 71.0649 172.6544 116 V 4.3513 8.7882 128.8151 62.9537 32.4778 176.5736 117 V 4.4236 9.0244 120.4638 61.8239 34.1818 175.6489 118 S 5.0691 7.9966 115.3105 56.9034 65.9900 172.4133 119 K 4.8959 9.1648 128.8864 54.4626 34.6467 174.7447 120 I 5.7679 8.7985 119.8233 58.6070 41.2686 173.5408 121 Y 5.3524 7.8178 119.0187 56.0702 41.1181 173.2939 122 H 4.9941 9.5178 120.9362 54.8137 32.8890 172.6213 123 T 4.9669 8.4366 122.1759 62.6307 69.3041 174.4554 124 H 4.5991 8.8428 124.7451 54.4909 29.6184 174.0872 125 P 4.4489 0.0000 0.0000 62.7402 32.0138 176.6321 126 S 4.2534 8.4452 114.4846 59.0202 62.8026 174.3455 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 3 N 8.41 4.79 0.00 2.76 2.80 0.00 0.00 6.49 6.83 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 4 T 7.63 4.74 4.30 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 1.24 0.00 0.00 5 T 8.89 4.45 4.31 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 1.30 0.00 0.00 6 Y 8.53 3.93 0.00 3.11 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 7 V 7.99 3.67 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 1.09 0.00 0.00 1.00 0.00 0.00 8 Q 8.08 4.08 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 9 E 8.14 4.10 0.00 1.82 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 2.59 2.59 0.00 10 Y 7.96 3.62 0.00 2.54 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 11 H 8.41 4.26 0.00 3.28 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.83 4.00 1.53 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 0.00 0.00 13 I 7.49 3.37 1.34 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 0.12 -0.36 0.45 0.00 0.00 14 V 7.59 3.39 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 0.93 0.00 0.00 0.15 0.00 0.00 15 E 7.78 3.87 0.00 2.16 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 0.00 2.31 2.30 0.00 16 V 7.41 3.65 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 0.82 0.00 0.00 1.04 0.00 0.00 17 L 8.14 3.79 0.00 1.43 1.44 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.42 4.08 0.00 3.92 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 19 K 7.85 3.96 0.00 1.95 2.06 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.63 7.81 20 Y 7.91 4.16 0.00 3.07 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 21 N 8.33 4.14 0.00 2.92 2.85 0.00 0.00 6.72 7.26 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 22 E 8.53 4.00 0.00 2.06 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 2.29 2.32 0.00 23 G 8.45 3.69 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 0.00 0.00 0.00 24 G 7.84 3.47 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 0.00 25 K 8.18 4.05 0.00 1.86 1.92 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.74 7.81 26 K 8.22 4.25 0.00 1.85 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.51 7.81 27 A 7.67 3.73 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 28 D 8.35 4.73 0.00 2.60 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.16 0.00 3.70 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 30 T 7.80 3.80 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 31 I 7.28 3.90 1.95 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 1.16 0.50 0.95 0.00 0.00 *33 R 8.05 4.14 0.00 1.25 1.72 0.00 3.09 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 34 P 0.00 4.34 0.00 2.08 2.12 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 35 A 8.14 4.12 1.02 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 0.00 0.00 36 F 8.07 5.37 0.00 3.20 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 37 S 9.02 4.48 0.00 3.99 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 38 S 8.94 4.27 0.00 4.05 4.04 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 39 Q 7.85 4.34 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 40 A 8.16 5.05 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.41 4.92 4.05 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 0.00 0.00 1.25 0.00 0.00 42 I 8.08 5.34 1.57 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.19 0.60 0.00 0.00 43 F 8.61 5.32 0.00 2.92 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 44 G 9.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 4.95 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 0.89 0.00 0.00 0.89 0.00 0.00 46 D 8.97 4.85 0.00 2.96 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 47 V 8.35 3.70 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 0.78 0.00 0.00 0.97 0.00 0.00 48 D 8.24 4.70 0.00 2.79 2.72 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 49 N 8.10 4.29 0.00 2.90 2.92 0.00 0.00 6.81 7.35 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 50 K 8.11 4.57 0.00 2.06 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.57 7.81 51 L 8.49 4.46 0.00 1.58 1.57 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 T 10.09 4.58 4.30 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 1.32 0.00 0.00 53 G 9.34 3.59 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 0.00 0.00 0.00 54 G 6.67 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.52 0.00 2.05 1.90 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 56 I 8.05 3.18 1.55 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.13 -0.36 0.57 0.00 0.00 57 Q 7.82 3.77 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 58 G 7.85 3.44 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 0.00 0.00 0.00 59 L 7.32 3.62 0.00 1.37 1.20 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.36 4.37 0.00 3.12 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 61 D 8.39 4.31 0.00 2.75 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 62 V 7.47 3.47 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 0.58 0.00 0.00 0.80 0.00 0.00 63 I 7.53 3.17 1.91 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.87 0.00 0.00 64 D 8.12 4.58 0.00 2.70 2.71 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 0.00 65 N 8.34 4.77 0.00 2.75 2.86 0.00 0.00 6.81 8.54 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 66 V 7.62 4.21 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 67 F 7.60 4.51 0.00 3.11 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 68 H 8.64 5.16 0.00 2.97 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.38 0.00 1.96 2.04 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 70 S 9.31 4.74 0.00 3.70 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 71 P 0.00 4.23 0.00 2.17 2.21 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 72 E 8.06 4.22 0.00 1.97 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 2.28 2.23 0.00 73 A 7.68 4.53 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 74 K 9.11 4.66 0.00 1.70 1.68 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.38 7.81 75 A 8.85 5.40 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 76 A 9.16 4.52 1.23 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 77 I 8.62 4.57 1.89 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.85 0.00 0.00 78 A 8.77 4.25 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 79 R 7.72 4.69 0.00 1.96 1.85 0.00 3.45 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 80 I 8.55 5.00 2.01 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.66 0.00 0.00 81 D 9.34 5.06 0.00 2.82 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 82 I 8.61 4.94 1.81 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.46 0.87 0.00 0.00 83 V 8.83 4.32 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 1.04 0.00 0.00 1.00 0.00 0.00 84 G 8.81 3.93 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 0.00 0.00 0.00 85 T 8.87 3.95 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 1.11 0.00 0.00 86 A 8.37 5.58 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 87 A 8.96 5.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 9.11 5.26 0.00 3.92 3.70 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 89 A 9.47 5.30 1.13 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 0.00 0.00 90 R 9.17 5.12 0.00 2.14 1.89 0.00 3.24 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 1.56 1.19 0.00 91 I 8.86 5.13 2.19 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 1.17 0.00 0.00 92 D 9.06 5.48 0.00 2.71 2.60 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 93 T 8.97 5.18 4.50 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 1.38 0.00 0.00 94 D 9.30 4.94 0.00 2.59 2.56 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 0.00 0.00 0.00 0.00 95 D 8.27 4.47 0.00 2.83 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 96 I 7.88 4.28 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 1.33 0.00 0.00 97 S 9.97 3.68 0.00 2.97 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 98 G 8.39 3.64 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 0.00 0.00 0.00 99 F 7.94 4.81 0.00 2.69 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 0.00 0.00 0.00 100 R 8.15 5.07 0.00 1.79 1.68 0.00 3.04 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.78 0.00 101 F 9.28 5.68 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 0.00 102 T 9.02 5.09 4.29 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 0.96 0.00 0.00 103 D 9.41 5.38 0.00 2.73 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 0.00 0.00 0.00 104 F 8.90 5.48 0.00 2.90 2.85 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 0.00 0.00 0.00 105 F 9.70 5.35 0.00 2.86 2.85 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 0.00 0.00 0.00 106 N 9.12 5.44 0.00 2.72 2.80 0.00 0.00 6.54 6.36 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 0.00 107 L 9.26 5.44 0.00 1.70 1.86 0.82 0.12 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 0.00 108 L 8.99 5.36 0.00 1.57 1.46 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.23 3.74 0.00 0.79 0.97 0.00 1.09 0.00 0.00 1.20 0.00 0.00 2.62 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.76 0.21 7.81 110 V 8.46 4.00 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 0.89 0.00 0.00 0.88 0.00 0.00 111 E 9.70 3.72 0.00 2.06 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 2.18 2.24 0.00 112 G 8.11 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 0.00 0.00 0.00 113 K 7.61 4.59 0.00 1.80 1.65 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.42 7.81 114 W 8.87 4.75 0.00 3.11 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 0.00 115 T 9.23 4.81 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 1.29 0.00 0.00 116 V 8.79 4.35 1.73 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 1.21 0.00 0.00 0.59 0.00 0.00 117 V 9.02 4.42 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 0.83 0.00 0.00 1.06 0.00 0.00 118 S 8.00 5.07 0.00 3.94 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 0.00 119 K 9.16 4.90 0.00 1.76 1.52 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.00 0.21 7.81 120 I 8.80 5.77 1.90 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 1.02 1.00 1.01 0.00 0.00 121 Y 7.82 5.35 0.00 3.01 2.93 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 0.00 122 H 9.52 4.99 0.00 3.27 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.44 4.97 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 1.17 0.00 0.00 124 H 8.84 4.60 0.00 3.02 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.45 0.00 2.19 2.08 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 126 S 8.45 4.25 0.00 3.84 3.74 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 * Residues marked with a * may have inaccurate shift predictions.