NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7068 8.2876 120.3921 56.0804 31.8806 175.1847 2 K 3.9145 8.3340 117.6075 59.0182 32.3379 176.7653 3 C 4.9241 8.0039 115.3043 56.1211 41.9802 174.7321 4 D 4.5804 7.7759 119.0246 53.9432 41.4556 177.1617 5 I 3.8919 8.2323 117.1791 63.4099 37.3186 177.9834 6 T 3.8713 8.4509 118.6060 66.8187 68.1747 175.8773 7 L 3.9685 7.9766 120.8662 57.9963 41.6082 179.3893 8 Q 4.0223 8.0526 118.7965 59.2143 28.9746 177.7920 9 E 3.9504 8.2005 119.6709 59.4338 29.4055 179.5074 10 I 3.6874 8.0758 120.0634 64.4838 37.1998 178.5406 11 I 3.6141 7.8284 120.6566 64.0753 36.8871 178.2105 12 K 3.7403 8.2645 120.8255 59.8940 31.9049 178.5855 13 D 4.0372 7.7753 118.9364 57.0083 40.8263 178.7514 14 L 3.9423 8.0910 119.8628 57.6776 41.3239 179.2375 15 N 4.2677 8.2495 116.1065 56.4346 38.9084 177.2690 16 S 4.1227 7.8715 116.4329 61.5918 62.5911 176.8575 17 L 4.2646 8.2180 122.1064 57.1766 41.1221 178.5076 18 T 4.4425 7.3591 106.8318 61.8480 69.2267 175.5686 19 E 4.0953 7.6689 120.5928 58.8379 29.8794 177.1256 20 Q 4.2293 7.5726 118.7293 55.2152 29.1629 175.9398 21 K 4.4321 8.4553 123.4648 53.9868 32.4082 175.1063 22 T 4.7892 9.1620 121.6157 60.1829 73.6341 173.9600 23 L 3.9978 8.4723 122.6035 58.7993 41.8894 179.4775 24 C 4.3997 8.2039 118.1488 59.7598 44.8816 175.1180 25 T 3.8906 7.7455 109.5417 63.5568 68.3407 175.4552 26 E 4.4173 7.7215 120.2222 56.2145 30.2902 176.2414 27 L 4.4911 7.5181 120.2208 54.9560 43.1550 176.2667 28 T 5.2198 8.4369 110.8084 60.6965 71.4263 173.8224 29 V 4.6527 8.6946 114.3422 59.5585 36.5013 175.2643 30 T 4.2391 8.3226 119.5530 63.9091 69.1431 175.0021 31 D 4.7976 9.2250 127.5620 52.6445 40.0636 176.2620 32 I 3.5881 8.1344 119.1063 63.1577 37.5868 178.0369 33 F 4.6647 7.6189 117.1010 57.7372 38.7016 175.8927 34 A 4.3876 7.9076 123.0088 52.1679 19.1271 178.1425 35 A 4.2826 7.4144 118.8446 52.1807 18.9198 178.9512 36 S 4.3160 8.6218 114.6193 58.3390 62.8031 175.1456 37 K 3.7990 7.3940 117.7850 58.0960 31.0753 176.7349 38 N 4.8384 7.4607 117.1848 51.2765 36.8011 174.1994 39 T 4.5104 7.3968 119.0947 61.9108 73.2478 174.5607 40 T 4.0448 8.3143 116.5144 61.4891 70.8239 174.9860 41 E 3.5756 8.4667 121.3542 59.2412 29.5726 178.9862 42 K 4.1148 7.8032 118.1370 59.3707 32.1889 178.8393 43 E 3.9813 8.0067 119.2801 59.4391 29.5303 179.0289 44 T 3.7685 7.7133 115.9470 66.4686 68.4132 176.5517 45 F 4.5037 7.6971 119.7396 60.8253 38.8540 176.9113 46 C 3.9949 8.2509 117.9825 59.5755 40.1106 175.7439 47 R 3.8022 8.1202 119.4946 59.2819 29.6794 178.9407 48 A 4.1673 8.0232 120.1860 55.2159 18.3964 179.5815 49 A 4.0193 7.7421 120.6738 54.6768 18.1086 180.0098 50 T 3.9671 7.6615 114.4180 67.1325 68.5950 177.3901 51 V 3.7698 7.6402 114.1610 64.2934 31.4079 178.7304 52 L 4.0152 7.8957 118.9620 57.5513 41.4593 179.4084 53 R 3.0708 8.0344 118.8952 59.0439 29.9775 178.6149 54 Q 3.6950 7.9451 118.0105 58.6536 28.7590 178.4841 55 F 3.8925 8.1502 121.8476 61.5345 39.5905 176.8835 56 Y 4.4494 8.2476 117.4164 60.1313 37.5730 178.2219 57 S 4.1912 7.3714 116.5680 61.7371 62.9896 175.8262 58 H 4.5132 7.8827 117.3929 57.3990 29.0400 175.7469 59 H 4.8315 7.7768 115.2918 54.9631 30.1399 175.0929 60 E 4.1043 8.2783 121.0167 58.6008 29.4735 177.6329 61 K 4.5972 7.8680 115.1843 55.8457 32.9750 175.0492 62 D 4.5064 7.9994 120.5592 53.9652 41.4077 177.4720 63 T 3.8996 8.4859 117.4780 64.4842 68.8303 176.3259 64 R 4.0664 8.4737 120.5582 58.4562 30.0938 177.0320 65 C 4.7418 7.9289 115.1849 58.2588 35.9261 175.7378 66 L 3.7934 7.6710 120.2683 55.0678 41.2688 178.1871 67 G 4.1783 7.8691 103.0397 45.8090 0.0000 172.9599 68 A 4.1970 9.0189 124.4889 54.0739 19.6351 178.9789 69 T 4.4681 7.7533 105.3910 60.1522 71.9683 175.5215 70 A 4.1138 8.4365 122.7735 55.5858 18.2733 179.6417 71 Q 3.9772 8.1225 117.4027 59.4669 29.0769 178.3930 72 Q 4.0401 8.3026 119.0640 58.9786 28.6986 178.5598 73 F 4.9867 8.3771 123.0505 61.1074 39.3515 176.5860 74 H 3.9076 8.6959 118.3273 59.4431 29.5934 177.5228 75 R 3.8289 8.3106 119.9968 59.1922 29.7690 178.5006 76 H 4.1580 8.5779 118.4308 59.3647 29.8636 177.4384 77 K 3.7180 8.0257 120.3713 59.4373 31.7740 179.3744 78 Q 3.3469 7.9527 118.4154 58.4766 28.4974 178.3625 79 L 3.9772 7.9928 121.6381 58.4517 42.0586 179.2261 80 I 3.7110 7.7357 119.6358 64.2631 37.0337 178.3913 81 R 3.6963 7.9377 119.8294 59.4974 29.7727 178.6632 82 F 4.5612 8.2016 117.9424 60.5271 38.7963 177.7420 83 L 4.1047 8.4167 119.1641 57.7561 41.3505 179.7214 84 K 3.6820 8.0926 118.6324 59.2786 31.9299 179.4701 85 R 3.8999 8.1240 119.0721 59.2117 29.9916 178.2189 86 L 3.9712 8.3162 120.5912 58.2159 41.9976 178.5467 87 D 4.3126 8.3767 118.1360 57.3227 41.3840 178.0160 88 R 4.1583 8.3912 119.4690 59.7476 29.9273 178.2850 89 N 4.3898 8.3455 116.1594 56.1844 38.5583 177.3960 90 L 3.7433 8.2581 120.8102 57.6505 41.5892 179.6245 91 W 4.4999 8.4100 119.1483 59.8350 28.7349 178.8583 92 G 3.7099 7.9714 104.4715 47.4214 0.0000 175.1950 93 L 4.3054 7.4732 119.5878 56.5868 41.8937 178.7565 94 A 4.5338 8.1214 120.7215 53.6395 18.4976 178.2713 95 G 4.0600 7.8469 103.7466 45.6996 0.0000 173.1393 96 L 4.4035 7.9923 117.4495 54.0707 44.9827 173.4724 97 N 5.1109 9.0740 124.0007 54.1140 40.8150 175.0457 98 S 4.6456 7.9055 114.0357 56.6376 61.6760 171.7096 99 C 4.8387 7.8352 119.0933 53.0010 42.1746 171.9885 100 P 4.2733 0.0000 0.0000 63.3186 31.5680 176.1366 101 V 4.1989 8.3264 122.5577 61.5160 32.1562 175.0051 102 K 4.5484 8.4402 125.3105 56.0266 32.7581 176.3964 103 E 4.1347 8.0056 118.5717 56.3347 30.1202 176.7673 104 A 4.2283 8.5077 125.1277 54.5945 19.5794 178.0011 105 N 4.4575 8.0723 114.2542 54.3207 40.1509 173.6625 106 Q 5.1020 8.6698 123.9332 54.4625 30.9650 175.1210 107 S 5.0356 8.7720 119.8565 56.6214 65.8886 174.3115 108 T 4.4257 8.4452 112.3012 61.5635 69.4587 174.9983 109 L 3.8602 8.7793 124.7477 58.1776 41.9560 178.9622 110 E 3.9241 8.3093 119.2906 59.6143 29.6169 178.7358 111 N 4.4035 8.3066 116.3974 56.0311 38.4996 177.2839 112 F 4.2248 8.4848 122.2130 61.4476 39.4863 177.2746 113 L 4.0517 8.6521 119.0442 57.7463 41.3883 179.3794 114 E 3.8792 8.3047 118.6625 59.3596 29.4222 179.3732 115 R 3.5641 7.8516 118.7267 59.1213 29.9405 178.3524 116 L 3.6370 7.6581 120.3119 57.6956 41.9565 178.7948 117 K 3.8393 8.1279 120.0673 59.7134 32.1103 178.8422 118 T 3.7651 7.7889 115.9146 66.6735 68.3715 176.5338 119 I 3.6372 7.5257 121.5247 64.7724 37.0661 178.4951 120 M 4.1985 8.3431 119.7467 58.4662 31.7261 179.0959 121 R 3.8981 8.3653 118.7005 59.0597 30.1008 178.7296 122 E 3.9694 8.3750 119.3399 59.1402 29.3998 179.0468 123 K 4.0064 8.0401 117.7182 59.4789 32.4227 178.3407 124 Y 4.1337 8.3073 119.9622 60.8143 38.6050 177.9604 125 S 4.2274 8.6173 114.4164 61.6198 62.2853 176.1592 126 K 4.1644 8.1861 118.9238 58.5759 31.8673 177.9215 127 C 4.5057 7.9677 116.5227 57.0257 40.6436 173.4439 128 S 4.7809 6.8032 113.8864 55.6649 65.2439 174.2444 129 S 4.2750 8.4241 114.1235 58.6891 62.8160 174.0832 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 1 H 8.29 4.71 0.00 3.23 3.37 0.00 5.67 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 2 K 8.33 3.91 0.00 2.02 1.99 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 3 C 8.00 4.92 0.00 2.91 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 4 D 7.78 4.58 0.00 2.88 2.52 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 5 I 8.23 3.89 1.88 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 1.62 0.46 0.91 0.00 0.00 6 T 8.45 3.87 4.19 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 1.14 0.00 0.00 7 L 7.98 3.97 0.00 1.80 1.88 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.05 4.02 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 9 E 8.20 3.95 0.00 2.19 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 2.47 2.50 0.00 10 I 8.08 3.69 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.88 0.00 0.00 11 I 7.83 3.61 1.79 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.78 0.00 0.00 12 K 8.26 3.74 0.00 1.79 1.91 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.38 7.81 13 D 7.78 4.04 0.00 2.61 2.62 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 14 L 8.09 3.94 0.00 1.76 1.66 0.91 0.73 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 15 N 8.25 4.27 0.00 2.70 2.79 0.00 0.00 7.07 7.36 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 16 S 7.87 4.12 0.00 3.13 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 17 L 8.22 4.26 0.00 1.84 1.74 1.01 1.02 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 18 T 7.36 4.44 4.40 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 1.19 0.00 0.00 19 E 7.67 4.10 0.00 2.06 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 0.00 2.33 2.42 0.00 20 Q 7.57 4.23 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 21 K 8.46 4.43 0.00 1.82 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.44 7.81 22 T 9.16 4.79 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 1.27 0.00 0.00 23 L 8.47 4.00 0.00 1.78 1.85 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.20 4.40 0.00 3.14 3.21 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 0.00 25 T 7.75 3.89 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 1.25 0.00 0.00 26 E 7.72 4.42 0.00 2.11 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 2.48 2.51 0.00 27 L 7.52 4.49 0.00 1.90 1.61 0.68 0.35 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 28 T 8.44 5.22 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 1.26 0.00 0.00 29 V 8.69 4.65 1.66 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 0.66 0.00 0.00 0.54 0.00 0.00 30 T 8.32 4.24 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 1.25 0.00 0.00 31 D 9.22 4.80 0.00 2.84 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 32 I 8.13 3.59 1.58 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 -0.36 0.87 0.00 0.00 33 F 7.62 4.66 0.00 3.21 3.05 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 0.00 34 A 7.91 4.39 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.41 4.28 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 36 S 8.62 4.32 0.00 3.88 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 37 K 7.39 3.80 0.00 1.96 1.93 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.36 7.81 38 N 7.46 4.84 0.00 2.80 2.87 0.00 0.00 6.16 7.71 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 39 T 7.40 4.51 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 1.13 0.00 0.00 40 T 8.31 4.04 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 1.19 0.00 0.00 41 E 8.47 3.58 0.00 1.94 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 1.88 2.26 0.00 42 K 7.80 4.11 0.00 1.85 1.98 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.90 1.56 7.81 43 E 8.01 3.98 0.00 2.01 1.90 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 2.27 2.34 0.00 44 T 7.71 3.77 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 1.18 0.00 0.00 45 F 7.70 4.50 0.00 3.20 3.09 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 46 C 8.25 3.99 0.00 3.10 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 47 R 8.12 3.80 0.00 2.00 1.88 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 48 A 8.02 4.17 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 49 A 7.74 4.02 -0.31 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 50 T 7.66 3.97 4.40 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 1.29 0.00 0.00 51 V 7.64 3.77 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 0.70 0.00 0.00 0.56 0.00 0.00 52 L 7.90 4.02 0.00 1.93 1.84 1.07 0.79 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 53 R 8.03 3.07 0.00 2.40 2.13 0.00 3.60 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.37 0.00 54 Q 7.95 3.70 0.00 2.28 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 55 F 8.15 3.89 0.00 3.13 3.17 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 0.00 56 Y 8.25 4.45 0.00 3.31 3.40 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 57 S 7.37 4.19 0.00 3.79 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 58 H 7.88 4.51 0.00 2.79 2.95 0.00 5.61 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.78 4.83 0.00 2.92 3.11 0.00 5.63 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 60 E 8.28 4.10 0.00 2.24 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 0.00 2.42 2.38 0.00 61 K 7.87 4.60 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.43 7.81 62 D 8.00 4.51 0.00 2.76 2.66 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 63 T 8.49 3.90 4.22 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 1.19 0.00 0.00 64 R 8.47 4.07 0.00 1.93 2.04 0.00 3.14 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 65 C 7.93 4.74 0.00 3.03 3.18 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 66 L 7.67 3.79 0.00 1.61 1.60 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.87 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 68 A 9.02 4.20 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 69 T 7.75 4.47 4.27 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 1.23 0.00 0.00 70 A 8.44 4.11 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 71 Q 8.12 3.98 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 72 Q 8.30 4.04 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 73 F 8.38 4.99 0.00 3.02 3.23 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 74 H 8.70 3.91 0.00 3.25 3.50 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.31 3.83 0.00 2.05 1.99 0.00 3.23 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 76 H 8.58 4.16 0.00 3.47 3.62 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.03 3.72 0.00 1.44 1.55 0.00 1.33 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.20 0.99 7.81 78 Q 7.95 3.35 0.00 2.04 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 79 L 7.99 3.98 0.00 1.84 1.86 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.74 3.71 1.73 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 0.84 0.00 0.00 81 R 7.94 3.70 0.00 1.68 1.69 0.00 2.74 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 82 F 8.20 4.56 0.00 3.01 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 83 L 8.42 4.10 0.00 1.92 1.97 1.11 0.99 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 84 K 8.09 3.68 0.00 1.70 1.62 0.00 1.38 0.00 0.00 1.30 0.00 0.00 2.62 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.61 7.81 85 R 8.12 3.90 0.00 1.95 2.14 0.00 3.13 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 86 L 8.32 3.97 0.00 1.85 1.97 0.92 1.33 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 87 D 8.38 4.31 0.00 3.29 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 88 R 8.39 4.16 0.00 2.02 2.28 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 89 N 8.35 4.39 0.00 3.00 2.80 0.00 0.00 7.05 6.02 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 90 L 8.26 3.74 0.00 1.58 1.50 0.91 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 91 W 8.41 4.50 0.00 3.56 3.19 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 92 G 7.97 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 0.00 0.00 0.00 0.00 93 L 7.47 4.31 0.00 1.24 1.33 0.45 1.21 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 94 A 8.12 4.53 1.63 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 95 G 7.85 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 96 L 7.99 4.40 0.00 1.85 1.67 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 N 9.07 5.11 0.00 2.67 2.80 0.00 0.00 7.13 7.63 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 98 S 7.91 4.65 0.00 4.04 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 99 C 7.84 4.84 0.00 3.05 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 0.00 100 P 0.00 4.27 0.00 2.07 2.05 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 101 V 8.33 4.20 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 0.79 0.00 0.00 0.95 0.00 0.00 102 K 8.44 4.55 0.00 1.75 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.41 7.81 103 E 8.01 4.13 0.00 1.93 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 2.53 2.37 0.00 104 A 8.51 4.23 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 0.00 105 N 8.07 4.46 0.00 2.85 2.74 0.00 0.00 7.05 7.63 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 0.00 106 Q 8.67 5.10 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 107 S 8.77 5.04 0.00 3.97 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 0.00 108 T 8.45 4.43 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 1.31 0.00 0.00 109 L 8.78 3.86 0.00 1.27 1.67 0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.31 3.92 0.00 2.10 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 2.32 2.37 0.00 111 N 8.31 4.40 0.00 3.00 2.90 0.00 0.00 6.72 7.82 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 0.00 112 F 8.48 4.22 0.00 3.21 3.25 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 0.00 113 L 8.65 4.05 0.00 1.84 1.72 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.30 3.88 0.00 2.07 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 2.46 2.44 0.00 115 R 7.85 3.56 0.00 1.63 1.26 0.00 2.79 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 116 L 7.66 3.64 0.00 1.62 1.68 1.08 0.59 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 0.00 117 K 8.13 3.84 0.00 1.87 1.85 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.41 7.81 118 T 7.79 3.77 4.22 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 1.11 0.00 0.00 119 I 7.53 3.64 1.89 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.62 0.94 0.00 0.00 120 M 8.34 4.20 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.98 0.00 121 R 8.37 3.90 0.00 1.91 1.92 0.00 3.05 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 122 E 8.37 3.97 0.00 2.07 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 0.00 2.29 2.40 0.00 123 K 8.04 4.01 0.00 2.06 1.97 0.00 2.05 0.00 0.00 2.19 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.53 1.72 7.81 124 Y 8.31 4.13 0.00 3.11 3.05 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 0.00 125 S 8.62 4.23 0.00 4.02 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 0.00 126 K 8.19 4.16 0.00 1.89 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.63 7.81 127 C 7.97 4.51 0.00 2.95 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 0.00 128 S 6.80 4.78 0.00 3.86 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 0.00 129 S 8.42 4.28 0.00 4.00 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