NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 H 4.6364 8.2876 120.3757 56.0785 30.6174 173.9882 -1 H 4.0656 7.8378 119.2107 56.2536 29.0659 174.2119 0 H 4.6572 7.9313 117.6005 57.2020 27.7264 174.2711 1 M 5.5037 8.1776 118.7009 53.8024 34.1830 174.8063 2 K 4.0937 8.8042 126.4163 54.6601 35.7999 174.6506 3 T 4.7998 7.8640 122.4657 61.7646 70.8233 173.7127 4 F 4.5292 8.6523 123.7487 55.7025 42.5198 173.5435 5 H 5.4213 8.6713 121.3873 54.5567 31.7837 173.5859 6 L 4.8461 8.7548 124.5595 52.9757 45.8493 175.2484 7 T 5.0408 8.3654 112.3800 60.2070 70.4840 173.6757 8 T 4.7823 8.7881 116.4802 60.2857 70.8905 174.5593 9 Q 4.5587 9.2896 120.7951 55.8289 30.3715 175.2612 10 S 4.5962 7.4751 111.7537 56.4874 66.4588 174.6538 11 R 4.4013 8.6127 120.2495 58.6782 30.3842 175.4050 12 D 5.5080 7.8143 116.6239 52.4466 43.3724 175.4342 13 E 4.5911 8.8784 123.1579 55.3908 33.8045 173.3963 14 M 5.0316 8.7297 126.7397 53.8185 33.9520 175.2017 15 V 4.4034 8.7610 125.2208 60.8790 33.8692 174.2162 16 D 4.2778 8.9147 128.6688 53.8420 41.4887 175.5283 17 I 4.7670 8.3168 118.3654 60.0413 38.2937 177.3616 18 T 3.7449 8.2366 120.5153 67.4189 68.0694 176.4867 19 S 4.0981 7.8847 116.3083 61.5360 62.8803 176.4487 20 Q 3.9210 7.9453 120.2728 59.0196 28.3449 179.0260 21 I 3.8096 7.4110 120.3986 64.5442 37.2098 178.4173 22 E 3.9972 8.3816 119.5379 59.6792 29.2184 179.5619 23 T 3.9433 8.3543 116.2150 66.3909 68.5477 176.5313 24 W 4.5520 8.4931 130.3257 60.5502 30.5560 177.9433 25 I 3.4593 7.8383 118.9081 64.4215 36.7397 177.9789 26 R 3.9526 8.0446 119.2935 59.4328 29.6915 178.1179 27 E 3.8996 8.0839 118.2645 59.4048 29.7202 178.5570 28 T 3.7177 7.3367 108.5144 62.2190 68.9714 175.8450 29 G 3.7737 7.3389 108.7366 45.3282 0.0000 173.8037 30 V 3.5896 7.2952 120.6918 63.0174 32.1530 176.4767 31 T 4.4055 8.5236 116.3097 62.6798 70.4837 174.3697 32 N 5.5059 8.3705 117.9925 50.1361 43.5474 173.7356 33 G 4.2155 7.1182 109.6583 45.0321 0.0000 172.1105 34 V 5.0288 8.3939 116.5344 59.5913 36.8917 174.0371 35 A 5.1981 9.2021 124.7259 50.3637 21.7835 175.1475 36 I 4.7489 9.0431 124.4001 59.7846 39.4443 174.9459 37 V 4.9059 8.9201 127.9228 61.2285 33.8842 174.1940 38 S 5.0624 9.3794 123.2177 56.3657 65.3922 173.0738 39 S 4.9113 9.3657 122.9557 58.3496 62.8724 173.4064 40 L 4.6482 8.4312 125.3069 54.9380 41.9022 176.1436 41 H 5.0646 8.2567 115.9405 54.2825 32.0166 173.9108 42 T 4.3502 8.4794 110.9327 62.7843 69.4757 175.5300 43 T 4.8598 8.1166 110.8719 60.0432 70.6601 172.8267 44 A 4.7198 8.1689 122.5064 50.7887 22.4298 176.0799 45 G 4.4023 8.4756 108.8838 44.4317 0.0000 171.1865 46 I 5.1750 8.3412 119.6592 59.8851 40.6842 175.1697 47 T 4.7614 8.8970 119.7816 60.6809 71.7305 172.0871 48 V 4.9516 8.2134 124.0154 61.4546 33.7580 174.0732 49 N 4.8918 9.0470 125.3339 52.9094 42.6755 172.0827 50 E 4.6334 8.9511 120.9237 56.6811 30.0329 177.2888 51 N 5.7919 9.5731 123.0776 52.2015 38.2937 175.8543 52 A 4.3515 8.6103 121.3686 53.7129 21.4917 176.4674 53 D 4.6946 9.0470 117.9473 52.0745 41.5434 175.3029 54 P 4.3693 0.0000 0.0000 65.6681 31.2193 177.8556 55 D 4.4219 8.6393 118.9825 56.6240 40.5109 178.7019 56 V 3.5276 7.7700 119.4474 65.9257 31.5647 178.1756 57 K 3.8049 7.8317 117.7553 59.2502 31.9377 179.0684 58 R 3.8656 7.9136 119.0190 59.7235 29.9525 178.3954 59 D 4.3734 8.2355 118.5708 57.3830 40.7508 178.6099 60 M 4.0565 8.3285 119.6555 58.5457 31.9824 178.8658 61 I 3.8164 7.8863 119.8714 64.4832 37.1484 178.2318 62 M 4.0173 8.0984 118.9923 58.7722 32.0697 178.5242 63 R 3.9203 8.3657 118.6124 59.3309 30.1703 179.1024 64 L 3.9850 8.1738 118.8273 57.7961 41.4369 179.0957 65 D 4.4197 8.2810 118.0748 57.1391 40.8783 178.0802 66 E 4.0582 7.7314 118.4384 58.9499 29.6590 178.8575 67 V 3.6674 7.8057 117.7108 64.5941 32.6977 175.8069 68 Y 4.7798 7.5949 116.5721 54.6881 37.8240 173.3018 69 P 4.8988 0.0000 0.0000 61.4984 32.5707 176.7636 70 W 4.1249 8.9983 131.5042 60.6907 30.9072 175.9789 71 H 4.7464 8.1402 114.1007 54.9267 29.5633 174.3614 72 H 4.7505 8.5905 125.0893 55.0008 32.6604 174.5552 73 E 4.0951 8.8781 122.8360 58.6298 29.7283 174.3424 74 N 4.7702 8.2915 112.2633 54.0015 39.3051 175.1977 75 D 4.4611 7.8437 119.2060 54.5324 41.2965 176.4378 76 R 4.2715 8.3056 120.7807 56.8802 31.7723 175.9433 77 H 4.4199 7.9503 117.8179 55.8233 29.1225 175.3965 78 M 4.1922 8.3983 127.4135 57.3657 32.1989 177.7614 79 E 3.8520 7.6939 118.9918 57.5425 29.8311 177.5449 80 G 3.9499 7.9795 105.7806 45.0549 0.0000 173.1916 81 N 3.8817 7.5945 116.1847 52.3705 38.1579 176.7274 82 T 3.7364 7.9629 117.5201 67.8206 68.3760 175.2507 83 A 3.7735 7.4448 121.3694 55.2685 18.2598 179.3941 84 A 3.9738 7.7255 119.0256 55.4990 18.4339 179.6257 85 H 4.4114 7.8291 115.6267 58.4050 28.8651 177.8212 86 L 3.5903 7.5198 120.6905 57.5997 41.2937 179.7115 87 K 3.5543 7.4568 118.2947 59.4937 31.4371 179.6046 88 T 4.0118 7.6247 115.8911 66.8985 68.2201 177.0963 89 S 4.2783 7.7807 115.5613 61.3889 62.8035 176.7653 90 T 4.0708 7.5073 118.1445 66.8022 68.4108 177.0372 91 V 3.8581 7.7608 112.8008 61.7018 32.1971 177.4723 92 G 4.1158 8.0547 106.2667 45.1950 0.0000 173.9311 93 H 4.5608 8.9196 115.6658 57.1496 29.9842 174.5556 94 A 5.1096 7.4817 118.8389 50.6094 22.2794 175.3172 95 Q 4.6413 9.1844 118.0603 54.3972 33.3816 174.4666 96 T 5.0332 8.5672 118.4903 61.9364 70.6242 173.7047 97 L 4.8994 9.1782 126.2825 52.9397 45.6716 175.5554 98 I 4.5895 8.1987 121.7114 60.3690 39.4965 174.5647 99 I 4.9084 8.6287 127.2044 59.6728 39.6900 174.7197 100 S 4.8854 8.8710 121.4088 57.1992 66.0791 173.6811 101 E 3.5018 9.7136 125.6256 57.6044 27.4222 175.6164 102 G 3.9355 8.6187 103.8876 46.0513 0.0000 174.2122 103 R 4.7148 7.7278 117.4041 53.5931 34.2321 174.4670 104 L 4.4818 8.2902 119.9002 55.0158 42.3532 177.7322 105 V 3.9822 8.8704 124.4105 62.2335 31.3361 175.0406 106 L 4.9188 8.2021 127.0973 52.4678 45.5597 177.1710 107 G 3.8390 9.6751 112.5876 45.2406 0.0000 174.4092 108 T 3.4579 8.3922 115.3808 65.8896 68.3796 175.6101 109 W 5.1415 7.7528 117.2552 55.6127 29.7684 174.5097 110 Q 4.8915 8.0822 118.9883 55.3683 28.9710 175.6376 111 G 4.1925 9.2877 110.4982 44.3721 0.0000 171.1442 112 V 4.7773 8.2340 120.7201 61.4101 33.4777 174.2354 113 Y 5.0902 9.0187 125.4626 55.9950 41.3459 174.5203 114 F 4.4637 9.1771 127.2079 58.0636 40.8758 174.0527 115 C 4.5585 8.3833 125.5996 57.8594 29.2508 172.2660 116 E 4.2524 8.9473 126.6875 55.7523 30.1647 176.6158 117 F 5.1968 8.6021 123.8336 56.6801 40.9193 174.8072 118 D 4.9686 8.9180 119.7172 53.6331 41.1926 175.1737 119 G 4.4292 8.5793 106.1990 43.6275 0.0000 171.8231 120 P 4.9645 0.0000 0.0000 62.7599 32.3221 176.2199 121 R 4.8533 8.8643 120.3656 54.9486 34.0688 176.3240 122 T 4.1346 8.7551 111.7985 63.2260 70.1212 174.3611 123 N 5.1555 7.7669 119.2238 51.9509 37.7510 173.6192 124 R 4.6432 8.6552 121.0303 55.1746 33.1319 177.0621 125 K 5.2723 9.0055 120.2993 54.7587 36.7798 175.2012 126 F 5.5779 8.7244 117.7701 55.2263 41.9314 173.5077 127 V 4.8369 9.2959 120.3718 61.1963 34.4064 174.4047 128 V 5.0273 9.1460 127.4322 61.1746 34.1317 173.8439 129 K 5.1289 9.3242 130.2156 54.7748 34.3618 174.5782 130 L 5.2595 8.8805 127.6097 53.2994 43.7253 175.8929 131 L 4.8602 8.9525 122.7206 53.2603 44.6117 175.4539 132 T 4.9068 8.4044 117.2832 59.9798 69.7290 173.8581 133 D 4.7035 8.5553 125.3601 55.0359 41.1587 176.8229 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 H 8.29 4.64 0.00 3.11 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 7.84 4.07 0.00 3.46 3.51 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.93 4.66 0.00 3.80 3.47 0.00 5.57 0.00 0.00 0.00 0.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.18 5.50 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 2 K 8.80 4.09 0.00 0.79 0.74 0.00 0.63 0.00 0.00 0.78 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.30 0.40 7.81 3 T 7.86 4.80 3.98 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 1.12 0.00 0.00 4 F 8.65 4.53 0.00 1.51 2.37 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 5 H 8.67 5.42 0.00 3.01 3.11 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.75 4.85 0.00 1.21 1.28 0.36 0.77 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 7 T 8.37 5.04 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 1.19 0.00 0.00 8 T 8.79 4.78 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 1.32 0.00 0.00 9 Q 9.29 4.56 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 10 S 7.48 4.60 0.00 3.90 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 11 R 8.61 4.40 0.00 1.68 1.79 0.00 2.21 0.00 0.00 2.47 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.10 0.00 12 D 7.81 5.51 0.00 2.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.59 0.00 2.01 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 2.24 2.29 0.00 14 M 8.73 5.03 0.00 1.65 1.81 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 15 V 8.76 4.40 2.19 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 1.02 0.00 0.00 1.01 0.00 0.00 16 D 8.91 4.28 0.00 2.57 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 0.00 0.00 0.00 0.00 17 I 8.32 4.77 1.43 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.53 0.70 0.00 0.00 18 T 8.24 3.74 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 1.14 0.00 0.00 19 S 7.88 4.10 0.00 3.83 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 20 Q 7.95 3.92 0.00 2.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.15 2.43 0.00 21 I 7.41 3.81 2.00 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 1.58 0.62 0.98 0.00 0.00 22 E 8.38 4.00 0.00 2.01 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 2.33 2.57 0.00 23 T 8.35 3.94 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 1.33 0.00 0.00 24 W 8.49 4.55 0.00 3.69 3.41 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 25 I 7.84 3.46 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 0.88 0.00 0.00 26 R 8.04 3.95 0.00 1.87 2.10 0.00 3.09 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 27 E 8.08 3.90 0.00 2.20 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 0.00 2.33 2.36 0.00 28 T 7.34 3.72 3.68 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 -0.27 0.00 0.00 29 G 7.34 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 30 V 7.30 3.59 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 0.90 0.00 0.00 0.62 0.00 0.00 31 T 8.52 4.41 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 1.17 0.00 0.00 32 N 8.37 5.51 0.00 2.75 2.72 0.00 0.00 6.95 7.58 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 33 G 7.12 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 0.00 0.00 0.00 0.00 34 V 8.39 5.03 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 0.74 0.00 0.00 0.96 0.00 0.00 35 A 9.20 5.20 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 36 I 9.04 4.75 1.95 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 1.16 0.69 0.96 0.00 0.00 37 V 8.92 4.91 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 1.04 0.00 0.00 1.00 0.00 0.00 38 S 9.38 5.06 0.00 3.93 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 39 S 9.37 4.91 0.00 3.91 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 40 L 8.43 4.65 0.00 1.47 1.59 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.26 5.06 0.00 3.23 3.25 0.00 5.64 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 42 T 8.48 4.35 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 1.25 0.00 0.00 43 T 8.12 4.86 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 0.99 0.00 0.00 44 A 8.17 4.72 0.93 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 45 G 8.48 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 0.00 0.00 0.00 0.00 46 I 8.34 5.18 1.84 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 1.19 1.18 0.86 0.00 0.00 47 T 8.90 4.76 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 1.28 0.00 0.00 48 V 8.21 4.95 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 0.94 0.00 0.00 0.95 0.00 0.00 49 N 9.05 4.89 0.00 2.82 2.61 0.00 0.00 6.43 7.23 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 50 E 8.95 4.63 0.00 2.02 1.86 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 2.37 2.33 0.00 51 N 9.57 5.79 0.00 2.89 3.22 0.00 0.00 6.49 7.61 0.00 0.00 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 8.61 4.35 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 53 D 9.05 4.69 0.00 2.51 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 54 P 0.00 4.37 0.00 2.29 2.31 0.00 3.74 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 2.07 2.07 0.00 55 D 8.64 4.42 0.00 2.96 2.73 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 56 V 7.77 3.53 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 1.06 0.00 0.00 0.87 0.00 0.00 57 K 7.83 3.80 0.00 1.89 1.69 0.00 1.26 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.94 1.21 7.81 58 R 7.91 3.87 0.00 1.87 2.06 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 59 D 8.24 4.37 0.00 2.98 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 60 M 8.33 4.06 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.57 0.00 61 I 7.89 3.82 2.11 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 1.49 0.63 1.00 0.00 0.00 62 M 8.10 4.02 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.73 0.00 63 R 8.37 3.92 0.00 1.82 1.94 0.00 3.33 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 1.87 1.80 0.00 64 L 8.17 3.98 0.00 1.84 1.77 1.04 0.85 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 65 D 8.28 4.42 0.00 2.95 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 66 E 7.73 4.06 0.00 2.06 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 2.35 2.51 0.00 67 V 7.81 3.67 1.68 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 -0.07 0.00 0.00 0.83 0.00 0.00 68 Y 7.59 4.78 0.00 3.03 2.70 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 69 P 0.00 4.90 0.00 2.26 2.07 0.00 3.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 70 W 9.00 4.12 0.00 3.35 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 71 H 8.14 4.75 0.00 3.29 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.59 4.75 0.00 3.09 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.88 4.10 0.00 2.03 1.86 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 2.23 1.91 0.00 74 N 8.29 4.77 0.00 2.71 2.89 0.00 0.00 6.94 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 75 D 7.84 4.46 0.00 2.79 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.27 0.00 1.76 1.95 0.00 3.19 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 77 H 7.95 4.42 0.00 3.10 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.40 4.19 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 79 E 7.69 3.85 0.00 1.78 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 0.00 2.32 2.32 0.00 80 G 7.98 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 81 N 7.59 3.88 0.00 2.95 3.16 0.00 0.00 6.17 7.22 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 82 T 7.96 3.74 4.16 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 1.10 0.00 0.00 83 A 7.44 3.77 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 84 A 7.73 3.97 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 85 H 7.83 4.41 0.00 3.21 3.23 0.00 5.91 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 86 L 7.52 3.59 0.00 1.00 0.13 0.72 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.46 3.55 0.00 0.79 0.74 0.00 1.28 0.00 0.00 1.32 0.00 0.00 3.25 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.22 1.29 7.81 88 T 7.62 4.01 4.46 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 0.00 0.00 0.00 1.30 0.00 0.00 89 S 7.78 4.28 0.00 3.77 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 90 T 7.51 4.07 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 1.30 0.00 0.00 91 V 7.76 3.86 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 0.85 0.00 0.00 1.16 0.00 0.00 92 G 8.05 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.92 4.56 0.00 3.27 3.59 0.00 5.44 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 94 A 7.48 5.11 0.98 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 0.00 0.00 95 Q 9.18 4.64 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 96 T 8.57 5.03 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 1.24 0.00 0.00 97 L 9.18 4.90 0.00 1.53 1.53 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.20 4.59 1.87 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 1.35 0.69 0.91 0.00 0.00 99 I 8.63 4.91 1.95 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 1.12 0.66 0.97 0.00 0.00 100 S 8.87 4.89 0.00 3.81 3.62 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 0.00 101 E 9.71 3.50 0.00 2.10 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 2.24 2.22 0.00 102 G 8.62 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 0.00 0.00 0.00 103 R 7.73 4.71 0.00 1.79 1.74 0.00 3.28 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 104 L 8.29 4.48 0.00 1.55 1.59 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.87 3.98 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 0.73 0.00 0.00 0.92 0.00 0.00 106 L 8.20 4.92 0.00 1.47 1.48 0.92 0.96 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 0.00 107 G 9.68 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 8.39 3.46 3.68 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 -0.10 0.00 0.00 109 W 7.75 5.14 0.00 3.44 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 0.00 110 Q 8.08 4.89 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 111 G 9.29 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 0.00 0.00 0.00 0.00 112 V 8.23 4.78 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 0.81 0.00 0.00 0.87 0.00 0.00 113 Y 9.02 5.09 0.00 2.84 2.76 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 0.00 0.00 0.00 114 F 9.18 4.46 0.00 2.79 2.82 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 0.00 115 C 8.38 4.56 0.00 2.38 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 0.00 0.00 0.00 116 E 8.95 4.25 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 2.34 2.54 0.00 117 F 8.60 5.20 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.92 4.97 0.00 2.81 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 0.00 119 G 8.58 4.43 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 0.00 120 P 0.00 4.96 0.00 2.10 2.10 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 121 R 8.86 4.85 0.00 1.73 1.81 0.00 3.31 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 122 T 8.76 4.13 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 1.22 0.00 0.00 123 N 7.77 5.16 0.00 2.72 2.75 0.00 0.00 6.97 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.66 4.64 0.00 1.78 1.78 0.00 3.09 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.97 0.00 125 K 9.01 5.27 0.00 1.69 1.64 0.00 1.55 0.00 0.00 1.98 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.37 7.81 126 F 8.72 5.58 0.00 3.31 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 0.00 127 V 9.30 4.84 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 0.99 0.00 0.00 0.95 0.00 0.00 128 V 9.15 5.03 2.37 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 1.30 0.00 0.00 1.26 0.00 0.00 129 K 9.32 5.13 0.00 1.97 1.73 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.52 7.81 130 L 8.88 5.26 0.00 1.62 1.57 0.62 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 131 L 8.95 4.86 0.00 1.57 1.56 0.96 0.47 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 0.00 132 T 8.40 4.91 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 1.24 0.00 0.00 133 D 8.56 4.70 0.00 2.73 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