NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4425 8.3349 115.4129 57.6705 63.3094 173.4196 2 K 4.0314 8.4333 125.2749 55.8519 32.5925 175.5399 3 T 4.2804 8.3745 114.6485 62.8106 70.1198 174.4091 4 N 4.4924 7.9710 120.2697 52.6534 39.7559 173.5653 5 P 4.3123 0.0000 0.0000 65.5519 31.3986 178.9586 6 R 3.9227 8.4183 117.2936 58.9941 29.9374 178.7583 7 L 3.9183 7.9742 119.6590 58.1587 42.2152 178.8174 8 S 4.1103 8.0217 115.0825 61.8369 62.7736 176.8963 9 S 4.0860 8.0961 117.5023 61.4778 62.5640 176.3647 10 L 3.8692 8.0815 123.1164 58.4710 41.7987 178.9942 11 I 3.6861 8.1226 119.6735 64.5073 36.9448 178.3235 12 A 4.0246 8.1005 121.4682 55.0078 18.1660 179.4895 13 D 4.2077 8.1900 117.5348 57.5358 40.9582 178.6205 14 L 3.8636 8.1209 119.8546 58.0174 41.6380 179.7714 15 K 3.9636 8.0437 117.9275 59.6578 32.0990 178.9978 16 S 4.0652 8.3553 113.1579 61.7187 62.2734 176.4961 17 A 4.0132 8.2477 122.8235 55.1642 18.0479 179.2805 18 A 4.6640 7.9613 119.3544 54.7648 18.4136 179.9139 19 R 4.1016 7.9901 115.4846 60.1152 30.5278 178.6931 20 S 4.1878 8.0428 113.8452 61.2301 62.9640 176.5925 21 S 4.4656 8.1391 119.1214 58.3267 63.8116 174.5827 22 G 3.9524 8.5320 108.0904 45.6995 0.0000 174.3215 23 G 3.5962 8.0006 109.6192 44.7910 0.0000 174.2754 24 A 4.6703 8.1300 123.3359 51.4261 21.1948 178.5662 25 V 3.6398 7.2320 109.2818 63.5381 31.6171 178.4657 26 W 4.8083 7.5860 118.5513 60.0124 28.9346 178.7112 27 G 3.8595 8.2189 104.9611 47.4030 0.0000 175.2080 28 D 4.3143 7.7114 119.5392 57.3546 41.3373 178.4745 29 V 3.6610 8.4373 118.9977 65.9011 31.6590 177.7342 30 A 4.0382 8.5896 121.0311 55.3646 17.9903 179.5001 31 E 4.0099 7.8521 116.0574 59.1218 29.7273 179.0956 32 R 4.1140 7.5922 117.9626 59.0921 30.0018 178.4074 33 L 3.8623 7.8550 117.8838 57.4580 41.6109 178.9167 34 E 4.1850 7.9455 117.6971 57.9222 29.6432 177.6265 35 K 4.2632 7.0405 117.0190 54.9984 33.0123 174.8934 36 P 4.2342 0.0000 0.0000 63.1179 31.9823 177.7147 37 R 3.4256 8.7779 121.3611 59.3138 30.1443 179.1068 38 R 3.9723 7.8924 112.9386 58.8603 29.4494 177.5554 39 T 4.1609 7.9460 107.9134 63.0952 69.3939 174.7952 40 H 4.3461 7.7331 119.1634 55.7591 29.4660 174.5025 41 A 4.3426 7.9641 121.9498 52.0183 19.9168 176.8249 42 E 4.7395 8.6110 119.4531 54.3457 31.1415 173.5788 43 V 4.3824 8.6319 123.2948 61.0307 34.1073 174.2553 44 N 5.7404 8.5099 124.2311 51.3399 40.5264 175.8815 45 L 4.0653 8.8828 121.2108 58.4161 41.3249 180.1076 46 G 3.7472 7.9223 105.5112 47.7858 0.0000 175.6498 47 R 4.0223 8.2277 120.6876 59.2891 30.2855 178.5065 48 I 3.8158 7.8126 119.1344 64.3270 36.8256 177.9055 49 E 3.9288 8.0108 119.6482 59.2442 29.5899 178.5740 50 R 3.8219 7.4422 117.4303 58.4026 30.1523 176.3624 51 Y 4.6837 7.6639 112.5045 57.3298 39.6161 175.4017 52 A 4.5531 7.8000 123.4472 51.4879 20.3086 176.2249 53 Q 4.6557 7.9799 114.8118 54.8293 31.1063 174.1509 54 E 4.1379 8.6131 119.2994 57.9232 30.0138 176.3755 55 D 4.3903 8.8482 119.0616 55.0472 38.4035 173.4732 56 E 4.6940 7.7848 118.3217 54.5856 32.1769 175.2141 57 T 4.1847 8.6107 125.3989 63.7732 69.8793 173.9845 58 V 4.3187 8.9654 127.9093 62.4961 32.8346 174.8285 59 V 4.7590 9.1304 129.6190 61.4440 33.2879 174.5230 60 V 4.8020 9.1470 129.7882 59.2223 33.2684 174.4130 61 P 4.8162 0.0000 0.0000 60.8868 30.9528 175.3981 62 G 4.1324 7.2820 118.7456 47.3025 0.0000 176.3270 63 K 5.0629 9.2667 126.9807 54.1900 35.9212 173.4062 64 V 4.8482 8.1256 125.7470 61.3581 33.6915 174.5676 65 L 4.9874 9.0341 127.2631 52.4264 45.1330 176.4877 66 G 3.8608 8.5244 107.1195 47.0567 0.0000 173.5264 67 S 4.5088 8.3284 117.0035 58.6739 64.4846 175.2731 68 G 3.9323 9.0466 110.2219 45.0887 0.0000 172.0612 69 V 4.3086 7.8692 117.3898 60.6229 33.2944 174.3461 70 L 4.8269 8.4411 127.8011 53.5373 43.8825 175.3839 71 Q 4.4836 9.5381 125.2434 56.8666 30.6833 176.9792 72 K 3.9878 8.2210 116.0873 56.9890 32.9318 177.0538 73 D 5.5174 8.3616 123.5501 52.7951 39.5276 174.9516 74 V 4.6387 7.6059 114.9451 59.5560 35.8858 175.3872 75 T 4.7431 8.3583 119.5482 62.5644 70.0872 173.7429 76 V 4.8139 8.9343 127.6649 61.1741 33.9187 174.1443 77 A 5.8426 9.7280 129.6909 49.5982 21.4398 175.0772 78 A 5.0837 8.2842 122.6503 49.8658 22.9095 176.8790 79 V 3.5723 8.2551 119.0366 66.1796 32.0905 175.6423 80 D 4.7132 7.3394 116.9697 53.3197 44.5737 174.0439 81 F 5.4459 8.6579 120.5597 55.3233 42.7405 175.2131 82 S 4.2769 9.1420 117.6144 58.0749 63.7591 175.3275 83 G 3.8784 9.1109 108.7218 48.8402 0.0000 176.0881 84 T 3.9362 7.9089 116.8854 66.1365 68.5261 176.5414 85 A 4.0044 8.1158 122.7931 55.3813 18.5913 179.2394 86 E 3.5925 8.3749 117.6964 59.6446 29.3536 179.3151 87 T 3.8459 7.3678 114.9835 66.6528 68.8634 176.8086 88 K 4.1345 8.5171 120.7080 59.1033 31.9164 179.7277 89 I 3.7591 7.9552 120.5034 64.4561 37.0608 177.9270 90 D 4.8288 7.5271 118.4056 55.9501 40.6521 178.3074 91 Q 4.2152 7.4815 117.9194 57.7217 29.0823 176.8127 92 V 4.5445 7.5201 109.7045 60.6739 34.8344 174.4428 93 G 4.3424 8.1481 111.4893 45.0491 0.0000 173.6221 94 E 4.9957 9.4230 125.3994 54.4303 33.4239 173.3236 95 A 4.8792 8.7866 128.7265 50.3801 20.5585 176.4568 96 V 4.6110 9.3382 122.7486 60.8434 35.4977 175.0241 97 S 4.9588 8.6268 120.5723 57.5891 64.4589 175.0532 98 L 3.8879 8.4578 123.3306 58.3279 41.4243 179.9612 99 E 3.8763 7.6585 118.7741 59.1965 29.3085 179.5044 100 Q 3.9735 8.3296 118.3365 58.9708 28.9484 178.4030 101 A 4.3167 7.9535 121.0090 55.1384 18.0762 179.5345 102 I 3.0443 7.0359 117.5276 63.8378 37.1252 177.6756 103 E 4.1150 7.3267 118.4603 59.0595 29.6997 178.0765 104 N 4.6173 8.5866 115.8561 55.0709 40.1464 175.2797 105 N 5.1400 8.2065 118.3805 51.3977 39.1202 172.9514 106 P 4.6492 0.0000 0.0000 64.8408 31.9870 177.8440 107 E 4.2182 8.5943 118.0197 56.0246 30.4840 175.7293 108 G 3.4367 8.1626 108.1549 46.3260 0.0000 172.9730 109 S 4.5442 8.1164 110.7771 57.2331 66.5054 174.1277 110 H 4.0068 8.3768 116.4026 56.7972 25.8120 174.4232 111 V 4.9112 7.1279 116.2197 59.8667 35.2018 176.4889 112 R 4.5286 9.2074 124.2427 54.4337 32.3673 174.6550 113 V 4.3810 8.3974 127.0653 62.7242 32.2914 175.0990 114 I 4.8090 8.8877 128.5570 59.4317 41.1574 176.0298 115 R 4.1672 8.3287 121.1532 56.5341 29.3857 174.7579 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 S 8.33 4.44 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.03 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.37 4.28 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 4 N 7.97 4.49 0.00 2.80 2.69 0.00 0.00 7.25 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.42 3.92 0.00 1.92 1.96 0.00 3.13 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 1.64 1.79 0.00 7 L 7.97 3.92 0.00 1.75 1.82 0.92 1.00 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 8 S 8.02 4.11 0.00 4.09 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 9 S 8.10 4.09 0.00 4.01 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 10 L 8.08 3.87 0.00 1.76 1.91 0.89 1.25 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 11 I 8.12 3.69 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.63 0.92 0.00 0.00 12 A 8.10 4.02 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 13 D 8.19 4.21 0.00 2.79 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 8.12 3.86 0.00 1.85 1.96 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 3.96 0.00 2.03 1.87 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.64 7.81 16 S 8.36 4.07 0.00 3.94 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.01 1.41 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 0.00 0.00 0.00 18 A 7.96 4.66 1.52 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 19 R 7.99 4.10 0.00 1.83 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 20 S 8.04 4.19 0.00 3.94 3.85 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 21 S 8.14 4.47 0.00 4.27 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 0.00 0.00 0.00 23 G 8.00 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 24 A 8.13 4.67 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 25 V 7.23 3.64 1.72 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 0.50 0.00 0.00 -0.45 0.00 0.00 26 W 7.59 4.81 0.00 3.34 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 27 G 8.22 3.86 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 0.00 0.00 0.00 28 D 7.71 4.31 0.00 3.05 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 29 V 8.44 3.66 2.46 0.00 0.00 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 1.10 0.00 0.00 30 A 8.59 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.85 4.01 0.00 2.06 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 2.36 2.48 0.00 32 R 7.59 4.11 0.00 1.96 2.06 0.00 3.31 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 33 L 7.85 3.86 0.00 1.77 1.68 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.95 4.19 0.00 1.99 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 2.35 2.54 0.00 35 K 7.04 4.26 0.00 2.01 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 P 0.00 4.23 0.00 2.15 1.97 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.78 3.43 0.00 1.78 1.91 0.00 3.11 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 38 R 7.89 3.97 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.95 4.16 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 1.21 0.00 0.00 40 H 7.73 4.35 0.00 3.27 3.25 0.00 5.67 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 41 A 7.96 4.34 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 42 E 8.61 4.74 0.00 1.80 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 2.20 2.28 0.00 43 V 8.63 4.38 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 0.81 0.00 0.00 0.93 0.00 0.00 44 N 8.51 5.74 0.00 2.71 2.97 0.00 0.00 7.59 6.74 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 45 L 8.88 4.07 0.00 1.83 1.78 0.95 0.89 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 46 G 7.92 3.75 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 0.00 0.00 0.00 47 R 8.23 4.02 0.00 1.98 2.01 0.00 3.20 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 48 I 7.81 3.82 2.04 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 1.59 0.81 0.97 0.00 0.00 49 E 8.01 3.93 0.00 2.02 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 0.00 2.29 2.31 0.00 50 R 7.44 3.82 0.00 1.69 1.55 0.00 2.46 0.00 0.00 2.88 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.28 0.00 51 Y 7.66 4.68 0.00 3.01 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 52 A 7.80 4.55 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 7.98 4.66 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.99 0.00 0.00 0.00 0.00 0.00 2.58 2.40 0.00 54 E 8.61 4.14 0.00 1.99 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 2.53 2.35 0.00 55 D 8.85 4.39 0.00 2.83 2.74 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 56 E 7.78 4.69 0.00 2.00 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 0.00 2.23 2.30 0.00 57 T 8.61 4.18 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 1.36 0.00 0.00 58 V 8.97 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.13 4.76 2.12 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 1.10 0.00 0.00 1.14 0.00 0.00 60 V 9.15 4.80 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 1.06 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.82 0.00 2.13 2.23 0.00 3.89 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 62 G 7.28 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 0.00 0.00 0.00 63 K 9.27 5.06 0.00 1.70 1.55 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.33 7.81 64 V 8.13 4.85 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 1.08 0.00 0.00 0.81 0.00 0.00 65 L 9.03 4.99 0.00 1.84 1.54 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.52 3.86 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 0.00 0.00 0.00 67 S 8.33 4.51 0.00 4.08 3.80 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 68 G 9.05 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 69 V 7.87 4.31 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.44 4.83 0.00 1.60 1.52 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 9.54 4.48 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.22 3.99 0.00 1.75 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 D 8.36 5.52 0.00 2.83 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 74 V 7.61 4.64 2.12 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 0.84 0.00 0.00 0.97 0.00 0.00 75 T 8.36 4.74 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 1.27 0.00 0.00 76 V 8.93 4.81 2.30 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 1.19 0.00 0.00 1.03 0.00 0.00 77 A 9.73 5.84 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 78 A 8.28 5.08 0.51 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 0.00 0.00 79 V 8.26 3.57 2.18 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 0.70 0.00 0.00 0.88 0.00 0.00 80 D 7.34 4.71 0.00 2.77 2.38 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 81 F 8.66 5.45 0.00 2.87 2.91 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 82 S 9.14 4.28 0.00 3.94 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 83 G 9.11 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 0.00 0.00 0.00 84 T 7.91 3.94 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 85 A 8.12 4.00 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.37 3.59 0.00 1.98 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 2.18 2.05 0.00 87 T 7.37 3.85 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 1.20 0.00 0.00 88 K 8.52 4.13 0.00 1.90 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 89 I 7.96 3.76 1.76 0.00 0.00 1.00 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 0.83 0.88 0.00 0.00 90 D 7.53 4.83 0.00 2.62 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 91 Q 7.48 4.22 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 92 V 7.52 4.54 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 0.80 0.00 0.00 0.96 0.00 0.00 93 G 8.15 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.42 5.00 0.00 2.02 1.72 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 2.15 2.22 0.00 95 A 8.79 4.88 0.50 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 96 V 9.34 4.61 2.17 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 1.10 0.00 0.00 0.95 0.00 0.00 97 S 8.63 4.96 0.00 4.09 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 98 L 8.46 3.89 0.00 1.83 1.67 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.66 3.88 0.00 2.18 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 2.28 2.32 0.00 100 Q 8.33 3.97 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 7.95 4.32 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 0.00 102 I 7.04 3.04 1.71 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.01 0.63 0.00 0.00 103 E 7.33 4.11 0.00 2.02 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 2.30 2.32 0.00 104 N 8.59 4.62 0.00 2.72 2.90 0.00 0.00 6.75 7.90 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 0.00 105 N 8.21 5.14 0.00 2.90 3.07 0.00 0.00 6.83 7.75 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 0.00 106 P 0.00 4.65 0.00 2.31 2.31 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 107 E 8.59 4.22 0.00 2.15 2.03 0.00 0.00 0.00 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 2.39 0.00 108 G 8.16 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 0.00 109 S 8.12 4.54 0.00 3.97 3.80 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 0.00 110 H 8.38 4.01 0.00 3.31 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.13 4.91 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.91 0.00 0.00 112 R 9.21 4.53 0.00 2.03 1.82 0.00 3.12 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 113 V 8.40 4.38 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 0.86 0.00 0.00 0.88 0.00 0.00 114 I 8.89 4.81 1.91 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 1.47 0.98 0.97 0.00 0.00 115 R 8.33 4.17 0.00 1.84 1.81 0.00 3.04 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00