NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3963 8.4045 120.3501 54.8429 33.1529 175.6452 2 E 3.9995 8.7275 124.8651 56.7140 30.7348 170.8502 3 L 5.1386 8.6931 123.2879 52.8619 45.5298 175.4362 4 T 4.8369 8.9642 115.7163 61.0969 71.1659 172.1288 5 T 5.3005 8.5134 109.4480 60.3071 72.1888 173.0826 6 R 4.7444 8.7834 121.3344 55.2107 34.3041 173.5463 7 T 4.9721 8.3618 120.5420 61.7097 70.5617 174.1210 8 L 4.3561 9.3777 128.5964 53.5018 42.6959 175.5941 9 P 4.5811 0.0000 0.0000 62.2332 32.1791 176.2985 10 A 4.0657 8.4834 121.8227 54.4094 18.4100 178.0807 11 R 4.1668 7.7090 116.5236 55.2960 30.3384 175.6384 12 K 4.4944 8.5672 124.9882 55.9381 34.6190 175.8897 13 H 5.2419 9.4745 120.9966 54.8723 30.2029 173.9801 14 I 5.0166 9.2655 125.5278 59.5191 39.4621 174.7625 15 A 5.1770 9.0499 129.4951 50.4607 21.1338 175.5647 16 L 4.9948 9.1304 122.9270 52.9303 44.4929 175.8820 17 V 4.6903 8.8247 123.6752 61.0558 35.0470 174.1327 18 A 5.3315 8.3380 126.7697 50.9459 22.3707 175.8457 19 H 4.7147 9.3561 119.3261 55.6330 30.1841 176.3378 20 D 4.4770 9.2465 121.1280 58.4436 40.5248 179.2719 21 H 4.4360 8.3764 113.0571 57.5079 29.1204 176.2133 22 C 4.7570 8.2316 118.2609 59.3736 28.5114 175.6162 23 K 4.1416 8.1289 124.7021 60.2951 31.6321 179.8052 24 Q 4.1087 8.1458 120.4707 60.3582 28.0410 180.1626 25 M 4.3462 8.1118 119.9827 58.4462 32.1003 178.4416 26 L 4.1463 8.1973 120.3260 58.3845 42.1420 178.6731 27 M 4.1039 8.5301 119.0055 58.7660 31.9901 178.8088 28 S 4.1799 8.3484 115.0259 61.5085 62.8359 176.6692 29 W 4.2104 8.3069 129.6902 60.4982 30.6326 177.8881 30 V 3.6108 8.5463 118.6047 66.0110 31.0671 177.8396 31 E 3.9485 8.4899 118.6332 59.6074 29.1274 179.6629 32 R 4.0014 8.0095 116.5496 58.3047 30.1732 177.2495 33 H 4.5885 7.2327 114.6558 55.2501 29.6274 175.3794 34 Q 3.8870 7.7731 122.7968 59.2279 28.4210 177.0077 35 P 4.2139 0.0000 0.0000 65.7239 31.5943 177.8900 36 L 4.2038 7.7398 118.2211 58.0034 42.1874 178.6926 37 L 4.1802 8.2508 119.2476 57.7754 41.3007 179.2131 38 E 3.9646 8.4507 118.0250 59.0527 29.4819 177.7549 39 Q 4.2384 7.8285 115.7871 56.5123 29.0022 174.2675 40 H 4.9860 8.0462 114.9276 53.8200 33.0267 172.7214 41 V 4.1900 8.5304 119.2296 61.8769 32.7497 174.6045 42 L 5.2721 8.3685 127.8112 53.6666 44.0118 175.1697 43 Y 5.2167 9.3045 119.7852 56.6596 42.4525 174.1680 44 A 5.3113 8.8193 121.9123 51.8737 23.5792 175.9059 45 T 4.0544 8.6055 109.7547 61.2088 70.5380 175.1007 46 G 3.8232 8.9235 106.0049 49.1076 0.0000 176.1279 47 T 3.8916 7.7305 116.1767 66.0252 68.9696 176.7469 48 T 4.0007 8.0738 117.2671 66.8320 68.5323 176.4004 49 G 3.7267 8.4525 107.6456 48.1618 0.0000 175.3835 50 N 4.4141 8.0659 118.4628 55.9111 38.6507 177.6110 51 L 4.0446 8.1126 120.4918 57.7114 41.6891 179.5271 52 I 3.7285 7.9520 120.0073 64.5014 37.0582 178.6170 53 S 4.4650 8.1902 118.8001 61.7446 62.5324 177.3484 54 R 3.9113 8.0609 122.9798 60.4968 29.1486 180.1011 55 A 4.6318 7.6951 118.2681 53.5397 19.6791 178.3938 56 T 4.4194 8.3382 106.2102 60.7327 70.1149 175.8270 57 G 3.9046 8.2187 109.5182 45.9354 0.0000 173.8443 58 M 4.2082 7.7229 119.7739 54.7518 32.6645 174.9958 59 N 4.6471 8.4612 119.9570 52.6958 39.4903 174.3715 60 V 4.4107 8.0648 125.4119 61.0478 34.3878 174.9893 61 N 4.5796 8.9031 125.9308 52.7368 38.4540 173.6580 62 A 4.6874 8.3594 125.7501 51.9634 19.5323 176.6423 63 M 4.7344 8.7094 122.9750 53.8047 35.6393 175.6536 64 L 4.2743 8.9753 119.3837 54.9927 43.2935 177.0389 65 S 4.3819 8.6553 115.3451 58.5412 63.4189 175.0877 66 G 3.7677 9.0586 112.2220 47.8898 0.0000 174.3137 67 P 4.2081 0.0000 0.0000 64.4916 31.3893 177.5617 68 M 4.4205 8.0012 114.9301 54.6650 32.7513 175.5940 69 G 3.7185 7.9745 108.2479 45.3072 0.0000 176.4669 70 G 3.6553 8.7094 108.7548 48.0164 0.0000 175.6574 71 D 4.2981 7.9996 120.5663 57.2667 40.8278 178.6380 72 Q 4.0202 7.9942 117.9307 58.4949 28.8192 178.5004 73 Q 3.9203 7.8511 119.3783 58.8600 28.6986 178.7261 74 V 3.5845 7.8355 119.3936 65.8778 31.5741 178.2030 75 G 3.5665 8.2221 105.3433 47.7482 0.0000 175.4474 76 A 3.9330 8.2479 123.5156 54.8556 18.3191 179.6818 77 L 3.7664 7.8281 117.4196 57.8623 41.6594 179.8268 78 I 3.5195 7.7891 120.0832 64.3782 36.8862 178.7068 79 S 2.7900 7.6574 113.1487 60.1128 62.8644 175.2186 80 E 4.0574 7.2994 120.0684 55.4311 29.4610 176.5708 81 G 3.6430 7.2017 107.0067 46.2107 0.0000 174.7360 82 K 4.1736 7.9480 117.9187 55.8006 32.8055 176.6354 83 I 4.3761 7.2771 119.5332 59.4786 39.7814 174.6890 84 D 4.8871 9.0886 124.1050 54.7219 42.8383 176.9627 85 V 4.7349 7.6094 117.5312 61.0644 35.5491 173.2878 86 L 5.0832 8.9933 128.9214 53.3921 45.0118 174.9597 87 I 4.5846 8.8283 127.8540 59.7999 39.2028 174.4440 88 F 5.3551 9.4156 131.5701 56.6441 41.0752 173.4952 89 F 5.4951 9.3655 126.9075 56.0838 37.9189 174.9446 90 W 4.5209 7.8771 119.3276 55.0721 29.9841 176.2591 91 D 4.3887 9.0831 121.8910 53.1617 40.2429 174.1512 92 P 4.4923 0.0000 0.0000 63.2144 31.6725 176.3699 93 L 4.7791 8.2380 118.2558 54.2593 42.4434 175.7840 94 N 4.8783 7.8853 114.3793 51.8205 42.5120 173.8955 95 A 4.3429 8.5647 125.7999 51.5984 19.5286 177.0478 96 V 4.5012 8.0647 116.3151 58.5284 34.0194 175.3564 97 P 4.2993 0.0000 0.0000 65.6771 31.5421 176.7852 98 H 4.9041 8.0940 114.7786 55.4251 29.9546 176.7384 99 D 4.2737 7.7435 123.3957 58.1871 41.0443 175.2368 100 P 4.2095 0.0000 0.0000 66.0101 31.1460 178.1314 101 D 4.3312 8.0547 118.1391 56.9853 40.8106 178.6073 102 V 3.7690 7.6390 118.5709 66.2206 31.6009 178.3209 103 K 3.8310 8.1707 118.0118 59.2456 31.7984 179.3047 104 A 3.9956 8.3188 121.5390 54.9097 18.2949 179.4680 105 L 3.8891 8.1336 118.9562 58.4233 42.3372 179.3082 106 L 4.1282 7.9833 118.8753 57.5854 41.4338 179.5164 107 R 3.9050 7.9775 118.9978 59.3560 29.9339 178.6196 108 L 4.0645 8.0688 118.7210 57.7167 41.4958 179.2905 109 A 4.0931 8.1953 120.7837 55.2976 18.2412 179.9740 110 T 3.8873 7.8488 114.0034 66.7235 68.3905 177.2245 111 V 3.3477 7.6176 119.3114 65.6929 31.5089 176.6824 112 W 4.3785 8.3116 116.6018 55.8831 29.2914 175.6197 113 N 4.1621 7.5618 116.1768 54.8516 37.1757 173.3201 114 I 4.6881 7.2370 109.7966 58.2237 41.0013 175.0984 115 P 4.4473 0.0000 0.0000 63.2311 32.2486 175.3921 116 V 5.1076 8.5178 123.2268 61.0093 34.6768 174.1893 117 A 4.9263 9.1831 129.1608 50.4155 21.4946 176.4480 118 T 5.3388 9.0670 110.7325 60.6966 70.0244 173.8170 119 N 4.2109 7.4460 119.2983 50.3331 41.5408 175.1479 120 V 3.3774 7.5893 119.7056 66.0243 31.5590 177.7073 121 A 4.1054 7.8582 119.8859 55.7758 18.2646 179.6629 122 T 3.8625 8.5444 114.2313 66.4371 68.4412 176.9589 123 A 3.9480 7.9420 122.8289 55.2604 18.4355 179.3709 124 D 4.5820 8.8157 117.7707 57.8220 40.7420 179.1301 125 F 3.9537 8.3828 116.9865 60.4290 39.1407 177.6768 126 I 3.9743 8.0528 119.4883 64.5052 36.8605 178.3490 127 I 2.5418 7.7050 117.4308 62.7996 37.8269 176.8202 128 Q 4.2739 7.4867 116.2420 55.2067 29.7577 175.8706 129 S 4.2800 7.4789 116.8468 57.1722 63.2542 172.6438 130 P 4.2911 0.0000 0.0000 66.6320 30.6377 176.9041 131 H 5.0024 8.1551 114.5514 55.6424 28.5334 177.0529 132 F 4.2387 8.2818 124.9935 60.7702 39.2838 175.8512 133 N 4.8182 8.2785 115.2027 52.9106 38.3747 173.5000 134 D 5.1064 7.5122 118.3150 52.0567 44.9968 174.8839 135 A 4.6899 8.4006 121.8717 51.6429 19.2090 177.1184 136 V 4.4299 8.5205 122.7714 61.2133 34.8511 173.9759 137 D 5.3816 8.7026 126.7817 53.1095 42.2209 175.7967 138 I 4.7259 8.6907 116.4891 58.8949 41.1154 174.5995 139 L 4.9196 8.5262 124.1069 54.6134 42.5902 176.2226 140 I 4.8988 8.9667 116.2530 58.1312 41.5095 172.7871 141 P 4.4112 0.0000 0.0000 63.1907 32.1402 176.6838 142 D 4.6794 8.9844 122.3372 53.2829 40.6891 176.3781 143 Y 4.2347 8.7431 130.1674 61.1854 39.0128 177.9256 144 Q 4.0684 8.5087 123.5512 61.2153 28.1205 181.4480 145 R 4.1297 8.1620 122.3535 61.1454 29.0166 179.9171 146 Y 4.1498 7.9840 120.1514 60.5228 38.8335 178.0331 147 L 3.5450 8.2919 121.3372 57.9498 41.9487 178.5920 148 A 3.9519 7.7882 119.6812 55.3908 18.2582 179.0485 149 D 4.3585 7.5393 116.2800 57.3164 40.9599 178.8180 150 R 3.9821 7.1817 117.2214 57.8786 30.1987 177.4539 151 L 4.6892 7.6734 120.6216 55.2106 43.2339 177.3228 152 K 4.1779 7.9372 125.5425 54.6822 32.0274 178.5897 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 M 8.40 4.40 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 E 8.73 4.00 0.00 1.78 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 2.32 1.98 0.00 3 L 8.69 5.14 0.00 1.49 1.58 0.91 0.80 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 4 T 8.96 4.84 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 1.34 0.00 0.00 5 T 8.51 5.30 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 1.24 0.00 0.00 6 R 8.78 4.74 0.00 1.92 1.80 0.00 3.03 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 7 T 8.36 4.97 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 1.25 0.00 0.00 8 L 9.38 4.36 0.00 1.56 1.57 0.95 0.50 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 9 P 0.00 4.58 0.00 2.27 2.05 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 10 A 8.48 4.07 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 11 R 7.71 4.17 0.00 1.72 1.79 0.00 3.18 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 12 K 8.57 4.49 0.00 1.48 1.57 0.00 1.56 0.00 0.00 1.81 0.00 0.00 2.58 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 0.60 7.81 13 H 9.47 5.24 0.00 3.19 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 9.27 5.02 2.02 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 1.07 0.00 0.00 15 A 9.05 5.18 1.18 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 16 L 9.13 4.99 0.00 1.55 1.56 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.82 4.69 1.71 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 0.83 0.00 0.00 0.69 0.00 0.00 18 A 8.34 5.33 1.32 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 0.00 0.00 0.00 19 H 9.36 4.71 0.00 3.27 3.34 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 9.25 4.48 0.00 2.75 2.77 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 21 H 8.38 4.44 0.00 3.32 3.39 0.00 5.86 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 22 C 8.23 4.76 0.00 3.26 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 23 K 8.13 4.14 0.00 2.04 1.92 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.71 7.81 24 Q 8.15 4.11 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 25 M 8.11 4.35 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 26 L 8.20 4.15 0.00 1.79 1.88 0.31 0.98 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 27 M 8.53 4.10 0.00 2.10 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.03 0.00 28 S 8.35 4.18 0.00 4.14 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 29 W 8.31 4.21 0.00 3.55 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 30 V 8.55 3.61 2.32 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 1.00 0.00 0.00 1.18 0.00 0.00 31 E 8.49 3.95 0.00 2.19 1.97 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 2.33 2.45 0.00 32 R 8.01 4.00 0.00 1.65 1.82 0.00 3.09 0.00 0.00 3.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.95 0.00 33 H 7.23 4.59 0.00 2.34 2.84 0.00 5.65 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.77 3.89 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 35 P 0.00 4.21 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 36 L 7.74 4.20 0.00 1.76 1.79 1.17 0.68 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 37 L 8.25 4.18 0.00 1.70 1.75 0.78 1.21 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 38 E 8.45 3.96 0.00 2.19 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 2.34 2.29 0.00 39 Q 7.83 4.24 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 40 H 8.05 4.99 0.00 3.04 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.53 4.19 2.24 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 0.70 0.00 0.00 0.91 0.00 0.00 42 L 8.37 5.27 0.00 1.61 1.59 0.96 0.92 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 43 Y 9.30 5.22 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 44 A 8.82 5.31 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 45 T 8.61 4.05 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 1.15 0.00 0.00 46 G 8.92 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 47 T 7.73 3.89 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 1.23 0.00 0.00 48 T 8.07 4.00 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 1.24 0.00 0.00 49 G 8.45 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 50 N 8.07 4.41 0.00 2.98 2.88 0.00 0.00 7.07 7.18 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 51 L 8.11 4.04 0.00 1.87 1.74 0.95 0.56 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 52 I 7.95 3.73 2.04 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 1.63 0.69 0.94 0.00 0.00 53 S 8.19 4.46 0.00 4.12 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 0.00 54 R 8.06 3.91 0.00 1.95 1.89 0.00 3.25 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 55 A 7.70 4.63 1.37 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 0.00 0.00 0.00 56 T 8.34 4.42 4.39 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 1.27 0.00 0.00 57 G 8.22 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 0.00 0.00 0.00 58 M 7.72 4.21 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.47 0.00 59 N 8.46 4.65 0.00 2.64 2.69 0.00 0.00 6.73 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 60 V 8.06 4.41 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 0.92 0.00 0.00 0.93 0.00 0.00 61 N 8.90 4.58 0.00 2.12 2.62 0.00 0.00 6.49 8.73 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 62 A 8.36 4.69 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 63 M 8.71 4.73 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00 64 L 8.98 4.27 0.00 1.72 1.58 0.92 0.91 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 65 S 8.66 4.38 0.00 3.91 3.72 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 66 G 9.06 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 0.00 0.00 0.00 67 P 0.00 4.21 0.00 1.96 2.00 0.00 3.56 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.87 0.00 68 M 8.00 4.42 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 69 G 7.97 3.72 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 0.00 0.00 0.00 70 G 8.71 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 71 D 8.00 4.30 0.00 2.74 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 72 Q 7.99 4.02 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 73 Q 7.85 3.92 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 74 V 7.84 3.58 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 0.96 0.00 0.00 0.92 0.00 0.00 75 G 8.22 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 76 A 8.25 3.93 1.32 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 0.00 0.00 0.00 77 L 7.83 3.77 0.00 1.71 1.46 0.71 0.43 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 78 I 7.79 3.52 1.96 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 1.50 0.96 0.93 0.00 0.00 79 S 7.66 2.79 0.00 3.82 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 80 E 7.30 4.06 0.00 1.90 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 2.11 2.16 0.00 81 G 7.20 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 82 K 7.95 4.17 0.00 1.59 1.60 0.00 1.51 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.21 7.81 83 I 7.28 4.38 1.71 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.62 0.82 0.00 0.00 84 D 9.09 4.89 0.00 2.48 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 85 V 7.61 4.73 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 1.22 0.00 0.00 1.03 0.00 0.00 86 L 8.99 5.08 0.00 1.79 1.52 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.83 4.58 1.65 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.05 0.00 0.00 88 F 9.42 5.36 0.00 3.01 2.97 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 89 F 9.37 5.50 0.00 2.96 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 90 W 7.88 4.52 0.00 2.99 1.74 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 91 D 9.08 4.39 0.00 2.79 2.77 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 92 P 0.00 4.49 0.00 1.89 1.11 0.00 3.48 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.42 0.00 93 L 8.24 4.78 0.00 1.63 1.60 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 94 N 7.89 4.88 0.00 2.81 2.65 0.00 0.00 7.05 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 95 A 8.56 4.34 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 96 V 8.06 4.50 1.99 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 0.73 0.00 0.00 0.87 0.00 0.00 97 P 0.00 4.30 0.00 2.22 2.22 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 98 H 8.09 4.90 0.00 3.55 3.54 0.00 5.47 0.00 0.00 0.00 0.00 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 7.74 4.27 0.00 2.91 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 0.00 100 P 0.00 4.21 0.00 2.30 2.29 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 101 D 8.05 4.33 0.00 3.04 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 0.00 102 V 7.64 3.77 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 0.65 0.00 0.00 1.11 0.00 0.00 103 K 8.17 3.83 0.00 1.90 1.77 0.00 1.29 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.34 1.33 7.81 104 A 8.32 4.00 1.38 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 0.00 0.00 0.00 105 L 8.13 3.89 0.00 1.83 1.92 0.85 0.01 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 0.00 106 L 7.98 4.13 0.00 1.68 1.68 0.37 0.97 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 0.00 107 R 7.98 3.91 0.00 2.02 2.08 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 108 L 8.07 4.06 0.00 1.95 1.84 0.99 1.13 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 0.00 109 A 8.20 4.09 1.44 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 0.00 110 T 7.85 3.89 4.39 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 1.19 0.00 0.00 111 V 7.62 3.35 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 -0.03 0.00 0.00 0.86 0.00 0.00 112 W 8.31 4.38 0.00 3.43 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 0.00 113 N 7.56 4.16 0.00 2.78 2.95 0.00 0.00 6.94 8.71 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 0.00 114 I 7.24 4.69 2.14 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 1.32 0.89 0.98 0.00 0.00 115 P 0.00 4.45 0.00 2.22 2.15 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 116 V 8.52 5.11 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 0.96 0.00 0.00 1.05 0.00 0.00 117 A 9.18 4.93 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 0.00 118 T 9.07 5.34 4.36 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 1.44 0.00 0.00 119 N 7.45 4.21 0.00 2.61 2.57 0.00 0.00 5.83 7.68 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 0.00 120 V 7.59 3.38 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 1.08 0.00 0.00 0.72 0.00 0.00 121 A 7.86 4.11 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 0.00 122 T 8.54 3.86 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 1.22 0.00 0.00 123 A 7.94 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 8.82 4.58 0.00 3.10 2.88 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 0.00 125 F 8.38 3.95 0.00 3.21 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 0.00 126 I 8.05 3.97 2.14 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 1.52 0.82 1.03 0.00 0.00 127 I 7.71 2.54 1.91 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 1.02 -0.36 0.88 0.00 0.00 128 Q 7.49 4.27 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 129 S 7.48 4.28 0.00 4.14 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 0.00 130 P 0.00 4.29 0.00 2.22 2.21 0.00 3.82 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 1.92 1.99 0.00 131 H 8.16 5.00 0.00 3.29 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 F 8.28 4.24 0.00 3.12 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 0.00 133 N 8.28 4.82 0.00 2.82 2.85 0.00 0.00 6.71 8.06 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 0.00 134 D 7.51 5.11 0.00 2.54 2.49 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 0.00 135 A 8.40 4.69 1.21 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 0.00 0.00 136 V 8.52 4.43 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 1.03 0.00 0.00 1.04 0.00 0.00 137 D 8.70 5.38 0.00 2.60 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 0.00 138 I 8.69 4.73 1.92 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 1.42 0.86 0.96 0.00 0.00 139 L 8.53 4.92 0.00 1.57 1.65 0.98 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 0.00 140 I 8.97 4.90 2.20 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 1.13 0.00 0.00 141 P 0.00 4.41 0.00 1.77 1.80 0.00 3.43 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.08 0.00 142 D 8.98 4.68 0.00 2.78 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 0.00 143 Y 8.74 4.23 0.00 3.38 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 0.00 144 Q 8.51 4.07 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 145 R 8.16 4.13 0.00 1.81 1.97 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 146 Y 7.98 4.15 0.00 3.03 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 0.00 147 L 8.29 3.55 0.00 1.10 1.33 0.89 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 148 A 7.79 3.95 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 0.00 149 D 7.54 4.36 0.00 2.72 2.59 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 0.00 150 R 7.18 3.98 0.00 1.68 1.81 0.00 3.04 0.00 0.00 2.59 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.00 151 L 7.67 4.69 0.00 1.58 1.63 0.89 0.81 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 0.00 152 K 7.94 4.18 0.00 1.76 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.28 0.98 7.81